National Library of Energy BETA

Sample records for tertiary amyl methyl

  1. State Restrictions on Methyl Tertiary Butyl Ether (released in AEO2006)

    Reports and Publications (EIA)

    2006-01-01

    By the end of 2005, 25 states had barred, or passed laws banning, any more than trace levels of methyl tertiary butyl ether (MTBE) in their gasoline supplies, and legislation to ban MTBE was pending in 4 others. Some state laws address only MTBE; others also address ethers such as ethyl tertiary butyl ether (ETBE) and tertiary amyl methyl ether (TAME). Annual Energy Outlook 2006 assumes that all state MTBE bans prohibit the use of all ethers for gasoline blending.

  2. Vapor pressures of methyl tert-butyl ether, ethyl tert-butyl ether, isopropyl tert-butyl ether, tert-amyl methyl ether, and tert-amyl ethyl ether

    SciTech Connect (OSTI)

    Kraehenbuehl, M.A.; Gmehling, J. . Technische Chemie)

    1994-10-01

    The vapor pressures of methyl tert-butyl ether, ethyl tert-butyl ether, isopropyl tert-butyl ether, tert-amyl methyl ether, and tert-amyl ethyl ether were measured by ebulliometry or the static method in the pressure ranges 14--102 and 3--835 kPa (methyl tert-butyl ether), respectively. The data were correlated using the Antoine and Wagner equations. The experimental data of methyl tert-butyl ether and ethyl tert-butyl ether were compared with data available in the literature.

  3. Enhanced diisobutene production in the presence of methyl tertiary butyl ether

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1983-03-01

    In the liquid phase reaction of isobutene in the presence of resin cation exchange resins with itself in a C[sub 4] hydrocarbon stream to form dimers, the formation of higher polymers, oligomers, and co-dimer by-products is suppressed by the presence of 0.0001 to 1 mole per mole of isobutene of methyl tertiary butyl ether. 1 fig.

  4. Enhanced diisobutene production in the presence of methyl tertiary butyl ether

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A. (Bellaire, TX)

    1983-01-01

    In the liquid phase reaction of isobutene in the presence of resin cation exchange resins with itself in a C.sub.4 hydrocarbon stream to form dimers, the formation of higher polymers, oligomers, and co-dimer by-products is suppressed by the presence of 0.0001 to 1 mole per mole of isobutene of methyl tertiary butyl ether.

  5. Petroleum Supply Annual

    U.S. Energy Information Administration (EIA) Indexed Site

    ... amyl methyl ether (TAME), tertiary butyl alcohol (TBA), and other aliphatic alcohols and ... amyl methyl ether (TAME), tertiary butyl alcohol (TBA), and other aliphatic alcohols and ...

  6. TABLE33.CHP:Corel VENTURA

    Gasoline and Diesel Fuel Update (EIA)

    ethyl tertiary butyl ether (ETBE), tertiary amyl methyl ether (TAME), tertiary butyl alcohol (TBA), and other aliphatic alcohols and ethers intended for motor gasoline blending...

  7. TABLE34.CHP:Corel VENTURA

    Gasoline and Diesel Fuel Update (EIA)

    ethyl tertiary butyl ether (ETBE), tertiary amyl methyl ether (TAME), tertiary butyl alcohol (TBA), and other aliphatic alcohols and ethers intended for motor gasoline blending...

  8. Top Value-Added Chemicals from Biomass - Volume II„Results of...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... Laboratory RVP Reid Vapor Pressure TAME methyl tertiary-amyl ether Tg glass transition temperature WGS water gas shift yr ... An approach that only considers process heat would be ...

  9. Activation of water soluble amines by halogens for trapping methyl radioactive iodine from air streams

    DOE Patents [OSTI]

    Deitz, Victor R.; Blachly, Charles H.

    1977-01-01

    Gas adsorbent charcoals impregnated with an aqueous solution of the reaction product of a tertiary amine and elemental iodine or bromine are better than 99 per cent efficient in trapping methyl iodine.sup.131. The chemical addition of iodine or bromine to the tertiary amine molecule increases the efficiency of the impregnated charcoal as a trapping agent, and in conjunction with the high flash point of the tertiary amine raises the ignition temperature of the impregnated charcoal.

  10. Cooperative Tertiary Interaction Network Guides RNA Folding

    SciTech Connect (OSTI)

    Behrouzi, Reza; Roh, Joon Ho; Kilburn, Duncan; Briber, R.M.; Woodson, Sarah A.

    2013-04-08

    Noncoding RNAs form unique 3D structures, which perform many regulatory functions. To understand how RNAs fold uniquely despite a small number of tertiary interaction motifs, we mutated the major tertiary interactions in a group I ribozyme by single-base substitutions. The resulting perturbations to the folding energy landscape were measured using SAXS, ribozyme activity, hydroxyl radical footprinting, and native PAGE. Double- and triple-mutant cycles show that most tertiary interactions have a small effect on the stability of the native state. Instead, the formation of core and peripheral structural motifs is cooperatively linked in near-native folding intermediates, and this cooperativity depends on the native helix orientation. The emergence of a cooperative interaction network at an early stage of folding suppresses nonnative structures and guides the search for the native state. We suggest that cooperativity in noncoding RNAs arose from natural selection of architectures conducive to forming a unique, stable fold.

  11. Oxygenates du`jour...MTBE? Ethanol? ETBE?

    SciTech Connect (OSTI)

    Wolfe, R.

    1995-12-31

    There are many different liquids that contain oxygen which could be blended into gasoline. The ones that have been tried and make the most sense are in the alcohol (R-OH) and ether (R-O-R) chemical family. The alcohols considered are: methanol (MeOH), ethanol (EtOH), tertiary butyl alcohol (TBA). The ethers are: methyl tertiary butyl ether (MTBE), ethyl tertiary butyl ether (ETBE), tertiary amyl methyl ether (TAME), tertiary amyl ethyl ether (TAEE), di-isopropyl ether (DIPE). Of the eight oxygenates listed above, the author describes the five that are still waiting for widespread marketing acceptance (methanol, TBA, TAME, TAEE, and DIPE). He then discusses the two most widely used oxygenates in the US, MTBE and ethanol, along with the up-and-coming ethanol ether, ETBE. Selected physical properties for all of these oxygenates can be found in Table 2 at the end of this paper. A figure shows a simplified alcohol/ether production flow chart for the oxygenates listed above and how they are interrelated.

  12. Aqueous flooding methods for tertiary oil recovery

    DOE Patents [OSTI]

    Peru, Deborah A.

    1989-01-01

    A method of aqueous flooding of subterranean oil bearing formation for tertiary oil recovery involves injecting through a well into the formation a low alkaline pH aqueous sodium bicarbonate flooding solution. The flooding solution's pH ranges from about 8.25 to 9.25 and comprises from 0.25 to 5 weight percent and preferably about 0.75 to 3.0 weight percent of sodium bicarbonate and includes a petroleum recovery surfactant of 0.05 to 1.0 weight percent and between 1 and 20 weight percent of sodium chloride. After flooding, an oil and water mixture is withdrawn from the well and the oil is separated from the oil and water mixture.

  13. Combustion characterization of methylal in reciprocating engines

    SciTech Connect (OSTI)

    Dodge, L.; Naegeli, D.

    1994-06-01

    Methylal, CH{sub 3}OCH{sub 2}OCH{sub 3}, also known as dimethoxy-methane, is unique among oxygenates in that it has a low autoignition temperature, no carbon-carbon bonds, and is soluble in middle distillate fuels. Because of these properties, methylal has been shown to be a favorable fuel additive for reducing smoke in diesel engines. Recent measurements of ignition delay times indicate that methylal has a cetane number in the range of 45-50, which is compatible with diesel fuels. Engine tests have shown that adding methylal to diesel fuel significantly reduces smoke emissions. Gaseous emissions and combustion efficiencies obtained with methylal/diesel fuel blends remain essentially the same as those measured using neat diesel fuel. Lubricity measurements of methylal/diesel fuel blends with a ball on cylinder lubrication evaluator (BOCLE) show that methylal improves the lubricity of diesel fuel. Even though additions of methylal lower the fuel viscosity, the results of the BOCLE tests indicate that the methylal/diesel fuel blends cause less pump wear than neat diesel fuel. The one drawback is that methylal has a low boiling point (42{degrees}C) and a relatively high vapor pressure. As a result, it lowers the flash point of diesel fuel and causes a potential fuel tank flammability hazard. One solution to this increased volatility is to make polyoxymethylenes with the general formula of CH{sub 3}O(CH{sub 2}O){sub x}CH{sub 3} where x > 2. The molecules are similar to methylal, but have higher molecular weights and thus higher viscosities and substantially lower vapor pressures. Therefore, their flash points will be compatible with regular diesel fuel. The polyoxymethylenes are expected to have combustion properties similar to methylal. It is theorized that by analogy with hydrocarbons, the ignition quality (i.e., cetane number) of the polyoxymethylenes will be better than that of methylal.

  14. EXTRACTION OF TETRAVALENT PLUTONIUM VALUES WITH METHYL ETHYL KETONE, METHYL ISOBUTYL KETONE ACETOPHENONE OR MENTHONE

    DOE Patents [OSTI]

    Seaborg, G.T.

    1961-08-01

    A process is described for extracting tetravalent plutonium from an aqueous acid solution with methyl ethyl ketone, methyl isobutyl ketone, or acetophenone and with the extraction of either tetravalent or hexavalent plutonium into menthone. (AEC)

  15. West Hackberry tertiary project. Annual report, September 3, 1994--September 2, 1995

    SciTech Connect (OSTI)

    Gillham, T.; Cerveny, B.; Turek, E.

    1996-05-01

    The West Hackberry Tertiary Project is a field test of the idea that air injection can be combined with the Double Displacement Process to produce a low cost tertiary recovery process which is economic at current oil prices. The Double Displacement Process is the gas displacement of a water invaded oil column for the purpose of recovering tertiary oil by gravity drainage. The Double Displacement Process is based upon the concept that in fields such as West Hackberry waterdrive recoveries are typically 50%-60% of the original oil in place while gravity drainage recoveries average 80%-90% of the original oil in place. Therefore, by injecting a gas into a watered out reservoir, a gas cap will form and additional oil can be recovered due to gravity drainage. Although the Double Displacement Process has been shown to be successful in recovering tertiary oil in other fields, this project will be the first to utilize air injection in the Double Displacement Process. The use of air injection in this process combines the benefits of air`s low cost and universal accessibility with the potential for accelerated oil recovery due to the combustion process. If successful, this project will demonstrate that the use of air injection in the Double Displacement Process will result in an economically viable tertiary process in reservoirs where tertiary oil recovery is presently uneconomical.

  16. Methylal and Methylal-Diesel Blended Fuels from Use In Compression-Ignition Engines

    SciTech Connect (OSTI)

    Keith D. Vertin; James M. Ohi; David W. Naegeli; Kenneth H. Childress; Gary P. Hagen; Chris I. McCarthy; Adelbert S. Cheng; Robert W. Dibble

    1999-05-05

    Gas-to-liquids catalytic conversion technologies show promise for liberating stranded natural gas reserves and for achieving energy diversity worldwide. Some gas-to-liquids products are used as transportation fuels and as blendstocks for upgrading crude derived fuels. Methylal (CH{sub 3}-O-CH{sub 2}-O-CH{sub 3}) also known as dimethoxymethane or DMM, is a gas-to-liquid chemical that has been evaluated for use as a diesel fuel component. Methylal contains 42% oxygen by weight and is soluble in diesel fuel. The physical and chemical properties of neat methylal and for blends of methylal in conventional diesel fuel are presented. Methylal was found to be more volatile than diesel fuel, and special precautions for distribution and fuel tank storage are discussed. Steady state engine tests were also performed using an unmodified Cummins 85.9 turbocharged diesel engine to examine the effect of methylal blend concentration on performance and emissions. Substantial reductions of particulate matter emissions h ave been demonstrated 3r IO to 30% blends of methylal in diesel fuel. This research indicates that methylal may be an effective blendstock for diesel fuel provided design changes are made to vehicle fuel handling systems.

  17. Low temperature synthesis of methyl formate

    DOE Patents [OSTI]

    Mahajan, Devinder; Slegeir, William A.; Sapienza, Richard S.; O'Hare, Thomas E.

    1986-01-01

    A gas reaction process for the preferential production of methyl formate over the co-production of methanol wherein the reactant ratio of CO/H.sub.2 is upgraded and this reaction takes place at low temperatures of 50.degree.-150.degree. C. and moderate pressures of .gtoreq.100 psi.

  18. Modulation of histone methylation and MLH1 gene silencing by...

    Office of Scientific and Technical Information (OSTI)

    ... Subject: 60 APPLIED LIFE SCIENCES; ARGININE; CARCINOGENS; CHROMIUM; DNA DAMAGES; GENES; HUMAN POPULATIONS; LUNGS; LYSINE; METHYLATION; NEOPLASMS; OCCUPATIONAL EXPOSURE; PROMOTERS ...

  19. Tension-compression-tension tertiary twins in coarse-grained polycrystalline pure magnesium at room temperature

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yu, Qin; Jiang, Yanyao; Wang, Jian

    2015-04-07

    Using electron backscatter diffraction, the microstructural features of tension–compression–tension (T–C–T) tertiary twins are studied in coarse-grained pure polycrystalline magnesium subjected to monotonic compression along the extrusion direction in ambient air. T–C–T tertiary twins are developed due to the formation of a compression–tension double twin inside a primary tension twin. All the observed T–C–T twin variants are of TiCjTj type. TiCi+1Ti+1 (or TiCi–1Ti–1) variants are observed more frequently than TiCi+2Ti+2 (or TiCi–2Ti–2) variants. Moreover, the number of tertiary twin lamellae increases with the applied compressive strain.

  20. An Experimental and Kinetic Modeling Study of Methyl Decanoate Combustion

    SciTech Connect (OSTI)

    Sarathy, S M; Thomson, M J; Pitz, W J; Lu, T

    2010-02-19

    Biodiesel is typically a mixture of long chain fatty acid methyl esters for use in compression ignition engines. Improving biofuel engine performance requires understanding its fundamental combustion properties and the pathways of combustion. This research study presents new combustion data for methyl decanoate in an opposed-flow diffusion flame. An improved detailed chemical kinetic model for methyl decanoate combustion is developed, which serves as the basis for deriving a skeletal mechanism via the direct relation graph method. The novel skeletal mechanism consists of 648 species and 2998 reactions. This mechanism well predicts the methyl decanoate opposed-flow diffusion flame data. The results from the flame simulations indicate that methyl decanoate is consumed via abstraction of hydrogen atoms to produce fuel radicals, which lead to the production of alkenes. The ester moiety in methyl decanoate leads to the formation of low molecular weight oxygenated compounds such as carbon monoxide, formaldehyde, and ketene.

  1. Conversion of Levulinic Acid to Methyl Tetrahydrofuran - Energy...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    acid is a highly desirable renewable chemical platform, which, using this process, can be converted into Methyl Tetrahydrofuran (Me-THF) with reasonable yield. The...

  2. Lithium Methyl Carbonate as a Reaction Product of Metallic Lithiumand...

    Office of Scientific and Technical Information (OSTI)

    Lithium methyl carbonate is only one of the components, the others being lithium oxalate and lithium methoxide. Authors: Zhuang, Guorong V. ; Yang, Hui ; Ross Jr., Philip N. ; Xu, ...

  3. Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate

    SciTech Connect (OSTI)

    Senent, M. L.; Puzzarini, C.; Hochlaf, M.; Domínguez-Gómez, R.; Carvajal, M.

    2014-09-14

    Highly correlated ab initio methods are employed to determine spectroscopic properties at low temperatures of two S-analogs of methyl formate: S-methyl thioformate CH{sub 3}-S-CHO (MSCHO) and O-methyl thioformate CH{sub 3}-O-CHS (MOCHS). Both species are detectable and they are expected to play an important role in Astrochemistry. Molecular properties are compared with those of the O-analog, methyl formate. Both isomers present two conformers cis and trans. cis-CH{sub 3}-S-CHO represents the most stable structure lying 4372.2 cm{sup −1} below cis-CH{sub 3}-O-CHS. The energy difference between the cis and trans forms is drastically lower for MSCHO (1134 cm{sup −1}) than for MOCHS (1963.6 cm{sup −1}). Harmonic and anharmonic fundamentals and the corresponding intensities, as well as the rotational constants for the ground vibrational and first excited torsional states and the centrifugal distortions constants, are provided. Low torsional energy levels have been obtained by solving variationally a two dimensional Hamiltonian expressed in terms of the two torsional degrees of freedom. The corresponding 2D potential energy surfaces have been computed at the CCSD(T)/aug-cc-pVTZ level of theory. The methyl torsional barriers V{sub 3}(cis) are determined to be 139.7 cm{sup −1} (CH{sub 3}-S-CHO) and 670.4 cm{sup −1} (CH{sub 3}-O-CHS). The A/E splitting of ground torsional state has been estimated to be 0.438 cm{sup −1} for CH{sub 3}-S-CHO and negligible for CH{sub 3}-O-CHS.

  4. Field pilot tests for tertiary recovery using butane and propane injection

    SciTech Connect (OSTI)

    Pacheco, E.F.; Garcia, A.I.

    1981-01-01

    This work describes a pilot project for tertiary recovery of liquid hydrocarbons through LPG injection in water-out sections of the Bolivar reservoir in La Pena Field, Santa Cruz, Boliva. The promising results obtained in the initial field miscibility tests, as well as the results from a mathematical model built to stimulate and evaluate the tertiary recovery project, directed subsequent work into a cyclic scheme for enhanced recovery. This scheme is explained and injection production data is presented. Field facilities built to handle both the injected LPG and the produced oil-LPG mixture are described. The oil/LPG ratio and the LPG recovered/injected fraction are the main factors measured in this to make further considerations for a full scale project.

  5. Laramide thrusting and Tertiary deformation Tierra Caliente, Michoacan and Guerrero States, southwestern Mexico

    SciTech Connect (OSTI)

    Johnson, C.A.; Harrison, C.G.A. ); Lang, H. ); Barros, J.A.; Cabral-Cano, E.

    1990-05-01

    Field investigations and detailed interpretations of Landsat Thematic Mapper images are in progress to improve understanding of regional structure and tectonics of the southernmost extension of the North American cordillera. Two areas have been selected within the Ciudad Altamirano 1:250,000 topographical sheet for geologic mapping and structural interpretation at 1:50,000 scale. The authors results to date require modification of previous ideas concerning the style and timing of deformations, the role and timing of terrane accretion in the overall tectonic history of the region, and the importance of southern Mexico to investigations of the tectonic evolution of the plates in the region. The relative sequence of deformation in the area correlates well with variations in relative motion between North America and plates in the Pacific. Post-Campanian thrusts and generally eastward-verging folds deformed the Mesozoic sequence during the (Laramide equivalent) Hidalgoan orogeny, associated with high-velocity east-west convergence with the Farallon plate that began about 70 Ma. The resulting unconformity was covered by the Tertiary Balsas Formation, a thick sequence of mostly continental clastics. The Tertiary stratigraphy is regionally and sometimes locally variable, but it can be divided into two members. The lower member is relatively volcanic poor and more deformed, and it lies below a regionally significant mid-Tertiary unconformity, which may mark a change to northeast-directed convergence with the Farallon plate sometime prior to 40 Ma. Continued mid-Tertiary deformation in southern Mexico may be related to eastward movement of the Chortis block and the resulting truncation of the Pacific margin of Mexico. The authors also suggest a tentative correlation between the volcaniclastic member of the Lower Cretaceous San Lucas Formation and the protolith of the Roca Verde metamorphics to the east.

  6. West Hackberry Tertiary Project. Quarterly technical progress report, January 1, 1996--March 31, 1996

    SciTech Connect (OSTI)

    Gillham, T.; Cerveny, B.; Turek, E.

    1996-04-10

    The goal of the West Hackberry Tertiary Project is to demonstrate the technical and economic feasibility of combining air injection with the Double Displacement Process for tertiary oil recovery. The Double Displacement Process is the gas displacement of a water invaded oil column for the purpose of recovering oil through gravity drainage. The novel aspect of this project is the use of air as the injection fluid. The target reservoir for the project is the Camerina C-1,2,3 sand located on the West Flank of West Hackberry Field in Cameron Parish, Louisiana. If successful, this project will demonstrate that the use of air injection in the Double Displacement Process can economically recover oil in reservoirs where tertiary oil recovery is presently uneconomic. The first quarter of 1996 was outstanding both in terms of volume of air injected and low cost operations. More air was injected during this quarter than in any preceding quarter. The compressors experienced much improved run time with minimal repairs. Low operating costs resulted from no repairs required for injection or production wells. A discussion of the following topics are contained herein: (1) performance summary for the injection and production wells, (2) air compressor operations, (3) updated bottom hole pressure data, (4) technology transfer activities and (5) plans for the upcoming quarter.

  7. Spherules from the Cretaceous/Tertiary boundary clay at Gubbio, Italy: the problem of outcrop contamination

    SciTech Connect (OSTI)

    Montanari, A.

    1986-12-01

    Surficial outcrop contamination has occurred in some well-known stratigraphic sections of carbonate rocks in the northern Apennines. A critical case involves several contaminated clay partings, including the Cretaceous/Tertiary boundary clay in the classic Bottaccione section near Gubbio, Italy. These clay layers contain shiny spherules which, in several recent studies, have been said to consist of volcanic glass and have been used to support the hypothesis that the terminal Cretaceous mass extinction was caused by widespread volcanism. Laboratory tests, however, indicate that these shiny spherules are made of HF-insoluble and combustible material and are therefore of recent biological origin. These objects were introduced into the Cretaceous/Tertiary boundary clay and other clay layers from the surrounding soil along with abundant detrital contaminants derived from erosion of the middle Miocene flysch exposed at the head of the Bottaccione Gorge. They are completely different from the altered and flattened microtektitelike spheroids that are found only in the iridium-rich Cretaceous/Tertiary boundary clay and that provide strong evidence for a large impact.

  8. Production of methyl-vinyl ketone from levulinic acid

    DOE Patents [OSTI]

    Dumesic, James A.; West; Ryan M.

    2011-06-14

    A method for converting levulinic acid to methyl vinyl ketone is described. The method includes the steps of reacting an aqueous solution of levulinic acid, over an acid catalyst, at a temperature of from room temperature to about 1100 K. Methyl vinyl ketone is thereby formed.

  9. Host cells and methods for producing 3-methyl-2-buten-1-ol, 3-methyl-3-buten-1-ol, and 3-methyl-butan-1-ol

    DOE Patents [OSTI]

    Chou, Howard H.; Keasling, Jay D.

    2011-07-26

    The invention provides for a method for producing a 5-carbon alcohol in a genetically modified host cell. In one embodiment, the method comprises culturing a genetically modified host cell which expresses a first enzyme capable of catalyzing the dephosphorylation of an isopentenyl pyrophosphate (IPP) or dimethylallyl diphosphate (DMAPP), such as a Bacillus subtilis phosphatase (YhfR), under a suitable condition so that 5-carbon alcohol is 3-methyl-2-buten-1-ol and/or 3-methyl-3-buten-1-ol is produced. Optionally, the host cell may further comprise a second enzyme capable of reducing a 3-methyl-2-buten-1-ol to 3-methyl-butan-1-ol, such as a reductase.

  10. Role of methyl groups in dynamics and evolution of biomolecules

    SciTech Connect (OSTI)

    Nickels, Jonathan D [ORNL; Curtis, J. E. [National Institute of Standards and Technology (NIST), Gaithersburg, MD; Oneill, Hugh [Oak Ridge National Laboratory (ORNL); Sokolov, Alexei P [ORNL

    2012-01-01

    Recent studies have discovered strong differences between the dynamics of nucleic acids (RNA and DNA) and proteins, especially at low hydration and low temperatures. This difference is caused primarily by dynamics of methyl groups that are abundant in proteins, but are absent or very rare in RNA and DNA. In this paper, we present a hypothesis regarding the role of methyl groups as intrinsic plasticizers in proteins and their evolutionary selection to facilitate protein dynamics and activity. We demonstrate the profound effect methyl groups have on protein dynamics relative to nucleic acid dynamics, and note the apparent correlation of methyl group content in protein classes and their need for molecular flexibility. Moreover, we note the fastest methyl groups of some enzymes appear around dynamical centers such as hinges or active sites. Methyl groups are also of tremendous importance from a ydrophobicity/folding/entropy perspective. These significant roles, however, complement our hypothesis rather than preclude the recognition of methyl groups in the dynamics and evolution of biomolecules.

  11. Dcm methylation is detrimental to plasmid transformation in Clostridium thermocellum

    SciTech Connect (OSTI)

    Guss, Adam M; Olson, Daniel G.; Caiazza, Nicky; Lynd, Lee R

    2012-01-01

    BACKGROUND: Industrial production of biofuels and other products by cellulolytic microorganisms is of interest but hindered by the nascent state of genetic tools. Although a genetic system for Clostridium thermocellum DSM1313 has recently been developed, available methods achieve relatively low efficiency and similar plasmids can transform C. thermocellum at dramatically different efficiencies. RESULTS: We report an increase in transformation efficiency of C. thermocellum for a variety of plasmids by using DNA that has been methylated by Escherichia coli Dam but not Dcm methylases. When isolated from a dam+ dcm+ E. coli strain, pAMG206 transforms C. thermocellum 100-fold better than the similar plasmid pAMG205, which contains an additional Dcm methylation site in the pyrF gene. Upon removal of Dcm methylation, transformation with pAMG206 showed a four- to seven-fold increase in efficiency; however, transformation efficiency of pAMG205 increased 500-fold. Removal of the Dcm methylation site from the pAM205 pyrF gene via silent mutation resulted in increased transformation efficiencies equivalent to that of pAMG206. Upon proper methylation, transformation efficiency of plasmids bearing the pMK3 and pB6A origins of replication increased ca. three orders of magnitude. CONCLUSION: E. coli Dcm methylation decreases transformation efficiency in C. thermocellum DSM1313. The use of properly methylated plasmid DNA should facilitate genetic manipulation of this industrially relevant bacterium.

  12. Phase 2 Methyl Iodide Deep-Bed Adsorption Tests

    SciTech Connect (OSTI)

    Soelberg, Nick; Watson, Tony

    2014-09-01

    Nuclear fission produces fission products (FPs) and activation products, including iodine-129, which could evolve into used fuel reprocessing facility off-gas systems, and could require off-gas control to limit air emissions to levels within acceptable emission limits. Research, demonstrations, and some reprocessing plant experience have indicated that diatomic iodine can be captured with efficiencies high enough to meet regulatory requirements. Research on the capture of organic iodides has also been performed, but to a lesser extent. Several questions remain open regarding the capture of iodine bound in organic compounds. Deep-bed methyl iodide adsorption testing has progressed according to a multi-laboratory methyl iodide adsorption test plan. This report summarizes the second phase of methyl iodide adsorption work performed according to this test plan using the deep-bed iodine adsorption test system at the Idaho National Laboratory (INL), performed during the second half of Fiscal Year (FY) 2014. Test results continue to show that methyl iodide adsorption using AgZ can achieve total iodine decontamination factors (DFs, ratios of uncontrolled and controlled total iodine levels) above 1,000, until breakthrough occurred. However, mass transfer zone depths are deeper for methyl iodide adsorption compared to diatomic iodine (I2) adsorption. Methyl iodide DFs for the Ag Aerogel test adsorption efficiencies were less than 1,000, and the methyl iodide mass transfer zone depth exceeded 8 inches. Additional deep-bed testing and analyses are recommended to (a) expand the data base for methyl iodide adsorption under various conditions specified in the methyl iodide test plan, and (b) provide more data for evaluating organic iodide reactions and reaction byproducts for different potential adsorption conditions.

  13. Anastomosing grabens, low-angle faults, and Tertiary thrust( ) faults, western Markagunt Plateau, southwestern Utah

    SciTech Connect (OSTI)

    Maldonado, F.; Sable, E.G. )

    1993-04-01

    A structurally complex terrane composed of grabens and horsts, low-angle faults, Tertiary thrust( ) faults, gravity-slide blocks, and debris deposits has been mapped along the western Markagunt Plateau, east of Parowan and Summit, southwestern Utah. This terrane, structurally situated within the transition between the Basin and Range and Colorado Plateau provinces, contains Tertiary volcanic and sedimentary and Cretaceous sedimentary rocks. The structures are mostly Miocene to Oligocene but some are Pleistocene. The oldest structure is the Red Hills low-angle shear zone, interpreted as a shallow structure that decoupled an upper plate composed of a Miocene-Oligocene volcanic ash-flow tuff and volcaniclastic succession from a lower plate of Tertiary sedimentary rocks. The period of deformation on the shear zone is bracketed from field relationships between 22.5 and 20 Ma. The graben-horst system trends northeast and formed after about 20 Ma (and probably much later) based on displacement of dated dikes and a laccolith. The central part of the system contains many grabens that merge toward its southerly end to become a single graben. Within these grabens, (1) older structures are preserved, (2) debris eroded from horst walls forms lobe-shaped deposits, (3) Pleistocene basaltic cinder cones have localized along graben-bounding faults, and (4) rock units are locally folded suggesting some component of lateral translation along graben-bounding faults. Megabreccia deposits and landslide debris are common. Megabreccia deposits are interpreted as gravity-slide blocks of Miocene-Oligocene( ) age resulting from formation of the Red Hills shear zone, although some may be related to volcanism, and still others to later deformation. The debris deposits are landslides of Pleistocene-Pliocene( ) age possibly caused by continued uplift of the Markagunt Plateau.

  14. Substantial improvements in methyl ketone production in E. coli and

    Office of Scientific and Technical Information (OSTI)

    insights on the pathway from in vitro studies (Journal Article) | SciTech Connect Journal Article: Substantial improvements in methyl ketone production in E. coli and insights on the pathway from in vitro studies Citation Details In-Document Search Title: Substantial improvements in methyl ketone production in E. coli and insights on the pathway from in vitro studies Authors: Goh, Ee-Been ; Baidoo, Edward E.K. ; Burd, Helcio ; Lee, Taek Soon ; Keasling, Jay D. ; Beller, Harry R. Publication

  15. Distributions of methyl group rotational barriers in polycrystalline organic solids

    SciTech Connect (OSTI)

    Beckmann, Peter A. E-mail: wangxianlong@uestc.edu.cn; Conn, Kathleen G.; Division of Education and Human Services, Neumann University, One Neumann Drive, Aston, Pennsylvania 19014-1298 ; Mallory, Clelia W.; Department of Chemistry, Bryn Mawr College, 101 North Merion Ave., Bryn Mawr, Pennsylvania 19010-2899 ; Mallory, Frank B.; Rheingold, Arnold L.; Rotkina, Lolita; Wang, Xianlong E-mail: wangxianlong@uestc.edu.cn

    2013-11-28

    We bring together solid state {sup 1}H spin-lattice relaxation rate measurements, scanning electron microscopy, single crystal X-ray diffraction, and electronic structure calculations for two methyl substituted organic compounds to investigate methyl group (CH{sub 3}) rotational dynamics in the solid state. Methyl group rotational barrier heights are computed using electronic structure calculations, both in isolated molecules and in molecular clusters mimicking a perfect single crystal environment. The calculations are performed on suitable clusters built from the X-ray diffraction studies. These calculations allow for an estimate of the intramolecular and the intermolecular contributions to the barrier heights. The {sup 1}H relaxation measurements, on the other hand, are performed with polycrystalline samples which have been investigated with scanning electron microscopy. The {sup 1}H relaxation measurements are best fitted with a distribution of activation energies for methyl group rotation and we propose, based on the scanning electron microscopy images, that this distribution arises from molecules near crystallite surfaces or near other crystal imperfections (vacancies, dislocations, etc.). An activation energy characterizing this distribution is compared with a barrier height determined from the electronic structure calculations and a consistent model for methyl group rotation is developed. The compounds are 1,6-dimethylphenanthrene and 1,8-dimethylphenanthrene and the methyl group barriers being discussed and compared are in the 212 kJ?mol{sup ?1} range.

  16. Rape oil methyl ester (RME) and used cooking oil methyl ester (UOME) as alternative fuels

    SciTech Connect (OSTI)

    Hohl, G.H.

    1995-12-31

    The author presents a review about the fleet tests carried out by the Austrian Armed Forces concerning the practical application of a vegetable oil, i.e Rape Oil Methyl Ester (RME) and Used Cooking Oil Methyl Ester (UOME) as alternative fuels for vehicles under military conditions, and reviews other research results carried out in Austria. As a result of over-production in Western European agriculture, the increase in crop yields has led to tremendous surpluses. Alternative agricultural products have been sought. One alternative can be seen in biological fuel production for tractors, whereby the farmer is able to produce his own fuel supply as was the case when he previously provided self-made feed for his horses. For the market introduction different activities were necessary. A considerable number of institutes and organizations including the Austrian Armed Forces have investigated, tested and developed these alternative fuels. The increasing disposal problems of used cooking oil have initiated considerations for its use. The recycling of this otherwise waste product, and its preparation for use as an alternative fuel to diesel oil, seems to be most promising.

  17. Phytoremediation of ionic and methyl mercury pollution

    SciTech Connect (OSTI)

    Meagher, R.B.

    1998-06-01

    'The long-term objective of the research is to manipulate single-gene traits into plants, enabling them to process heavy metals and remediate heavy-metal pollution by resistance, sequestration, removal, and management of these contaminants. The authors are focused on mercury pollution as a case study of this plant genetic engineering approach. The working hypothesis behind this proposal was that transgenic plants expressing both the bacterial organo mercury lyase (merB) and the mercuric ion reductase gene (merA) will: (A) remove the mercury from polluted sites and (B) prevent methyl mercury from entering the food chain. The results from the research are so positive that the technology will undoubtedly be applied in the very near future to cleaning large mercury contaminates sites. Many such sites were not remediable previously due to the excessive costs and the negative environmental impact of conventional mechanical-chemical technologies. At the time this grant was awarded 20 months ago, the authors had successfully engineered a small model plant, Arabidopsis thaliana, to use a highly modified bacterial mercuric ion reductase gene, merA9, to detoxify ionic mercury (Hg(II)), reducing it to much less toxic and volatile metallic Hg(0) (Rugh et al., 1996). Seeds from these plants germinate, grow, and set seed at normal growth rates on levels of Hg(II) that are lethal to normal plants. In assays on transgenic seedlings suspended in a solution of Hg(II), 10 ng of Hg(0) was evolved per min per mg wet weight of plant tissue. At that time, the authors had no information on expression of merA in any other plant species, nor had the authors tested merB in any plant. However, the results were so startlingly positive and well received that they clearly presaged a paradigm shift in the field of environmental remediation.'

  18. Properties of some ionic liquids based on1-methyl-3-octylimidazolium and 4-methyl-N-butylpyridinium cations.

    SciTech Connect (OSTI)

    Papaiconomou, Nicolas; Yakelis, Neal; Salminen, Justin; Bergman,Robert; Prausnitz, John M.

    2005-09-29

    Syntheses are reported for ionic liquids containing 1-methyl-3octylimidazolium and 4-methyl-N-butylpyridinium cations, and trifluoromethansulfonate, dicyanamide, bis(trifluoromethylsulfonyl)imide, and nonafluorobutanesulfonate anions. Densities, melting points and glass transition points, solubility in water as well as polarities have been measured. Ionic liquids based on pyridinium cations exhibit higher melting points, lower solubility in water, and higher polarity than those based on imidazolium cations.

  19. Evidence for temperate conditions along the Antarctic peninsula during the Early Tertiary

    SciTech Connect (OSTI)

    Zinsmeister, W.J.

    1985-01-01

    Several investigators based on deep sea glacial marine sediments from the southern oceans and volcanic sequences in West Antarctica have suggested extreme glacial conditions existed around Antarctica during the early Tertiary. Their data suggest ice sheets with ice shelves greater than those today were present on Antarctica by the late Eocene. If these data are correct, conditions during the Eocene along the Peninsula were similar to those that exist today. Late Eocene faunas and floras from Seymour Island indicate that conditions along the Peninsula were temperature. No paleontologic or geologic evidence have been obtained from Seymour Island (64/degree/18'S) to support the existence of glacial conditions along the northern part of the Peninsula during the early Tertiary. The presence of large quantities of fossil wood and plant debris in the upper Eocene sediments on Seymour Island indicates the presence of dense forests on the Peninsula during the Eocene. The discovery of marsupial and land birds remains on Seymour Island also indicate the presence of abundant terrestrial life on the Peninsula. The occurrence of an abundant marine life on Seymour Island supports the existence of temperate conditions along the Peninsula. Similarities of the Eocene faunas and floras with present day biotas from Tasmania, New Zealand and southern South America indicate that conditions along the Antarctic Peninsula during the late Eocene were comparable to present day mid latitudes of the southern hemisphere.

  20. Nested methylation-specific polymerase chain reaction cancer detection method

    DOE Patents [OSTI]

    Belinsky, Steven A.; Palmisano, William A.

    2007-05-08

    A molecular marker-based method for monitoring and detecting cancer in humans. Aberrant methylation of gene promoters is a marker for cancer risk in humans. A two-stage, or "nested" polymerase chain reaction method is disclosed for detecting methylated DNA sequences at sufficiently high levels of sensitivity to permit cancer screening in biological fluid samples, such as sputum, obtained non-invasively. The method is for detecting the aberrant methylation of the p16 gene, O 6-methylguanine-DNA methyltransferase gene, Death-associated protein kinase gene, RAS-associated family 1 gene, or other gene promoters. The method offers a potentially powerful approach to population-based screening for the detection of lung and other cancers.

  1. Geometric and Electronic Structures of the Ni(I) and Methyl-Ni(III)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Intermediates of Methyl-Coenzyme M Reductase 9 Geometric and Electronic Structures of the Ni(I) and Methyl-Ni(III) Intermediates of Methyl-Coenzyme M Reductase Methyl-coenzyme M reductase (MCR) from methanogenic archaea catalyzes the terminal step in biological methane synthesis. Using coenzyme B (CoBSH) as the two-electron donor, MCR reduces methyl-coenzyme M (methyl-SCoM) to form methane and the heterodisulfide product, CoBS-SCoM. MCR contains an essential redox active nickel tetrapyrrolic

  2. Methods for detection of methyl-CpG dinucleotides

    DOE Patents [OSTI]

    Dunn, John J.

    2013-01-29

    The invention provides methods for enriching methyl-CpG sequences from a DNA sample. The method makes use of conversion of cytosine residues to uracil under conditions in which methyl-cytosine residues are preserved. Additional methods of the invention enable to preservation of the context of me-CpG dinucleotides. The invention also provides a recombinant, full length and substantially pure McrA protein (rMcrA) for binding and isolation of DNA fragments containing the sequence 5'-C.sup.MeCpGG-3'. Methods for making and using the rMcrA protein, and derivatives thereof are provided.

  3. Methods for detection of methyl-CpG dinucleotides

    DOE Patents [OSTI]

    Dunn, John J.

    2012-09-11

    The invention provides methods for enriching methyl-CpG sequences from a DNA sample. The method makes use of conversion of cytosine residues to uracil under conditions in which methyl-cytosine residues are preserved. Additional methods of the invention enable to preservation of the context of me-CpG dinucleotides. The invention also provides a recombinant, full length and substantially pure McrA protein (rMcrA) for binding and isolation of DNA fragments containing the sequence 5'-C.sup.MeCpGG-3'. Methods for making and using the rMcrA protein, and derivatives thereof are provided.

  4. Methods for detection of methyl-CpG dinucleotides

    DOE Patents [OSTI]

    Dunn, John J

    2013-11-26

    The invention provides methods for enriching methyl-CpG sequences from a DNA sample. The method makes use of conversion of cytosine residues to uracil under conditions in which methyl-cytosine residues are preserved. Additional methods of the invention enable to preservation of the context of me-CpG dinucleotides. The invention also provides a recombinant, full length and substantially pure McrA protein (rMcrA) for binding and isolation of DNA fragments containing the sequence 5'-C.sup.MeCpGG-3'. Methods for making and using the rMcrA protein, and derivatives thereof are provided.

  5. PRODUCTION OF SLIP CAST CALCIA HOLLOWWARE

    DOE Patents [OSTI]

    Stoddard, S.D.; Nuckolls, D.E.; Cowan, R.E.

    1963-12-31

    A method for producing slip cast calcia hollow ware in which a dense calcia grain is suspended in isobutyl acetate or a mixture of tertiary amyl alcohol and o-xylene is presented. A minor amount of triethanolamine and oleic acid is added to the suspension vehicle as viscosity adjusting agents and the suspension is cast in a plaster mold, dried, and fired. (AEC)

  6. Low Temperature Autoignition of C8H16O2 Ethyl and Methyl Esters...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Temperature Autoignition of C8H16O2 Ethyl and Methyl Esters in a Motored Engine Low Temperature Autoignition of C8H16O2 Ethyl and Methyl Esters in a Motored Engine qThe alkyl chain ...

  7. Infant sex-specific placental cadmium and DNA methylation associations

    SciTech Connect (OSTI)

    Mohanty, April F.; Farin, Fred M.; Bammler, Theo K.; MacDonald, James W.; Afsharinejad, Zahra; Burbacher, Thomas M.; Siscovick, David S.; and others

    2015-04-15

    Background: Recent evidence suggests that maternal cadmium (Cd) burden and fetal growth associations may vary by fetal sex. However, mechanisms contributing to these differences are unknown. Objectives: Among 24 maternal-infant pairs, we investigated infant sex-specific associations between placental Cd and placental genome-wide DNA methylation. Methods: We used ANOVA models to examine sex-stratified associations of placental Cd (dichotomized into high/low Cd using sex-specific Cd median cutoffs) with DNA methylation at each cytosine-phosphate-guanine site or region. Statistical significance was defined using a false discovery rate cutoff (<0.10). Results: Medians of placental Cd among females and males were 5 and 2 ng/g, respectively. Among females, three sites (near ADP-ribosylation factor-like 9 (ARL9), siah E3 ubiquitin protein ligase family member 3 (SIAH3), and heparin sulfate (glucosamine) 3-O-sulfotransferase 4 (HS3ST4) and one region on chromosome 7 (including carnitine O-octanoyltransferase (CROT) and TP5S target 1 (TP53TG1)) were hypomethylated in high Cd placentas. Among males, high placental Cd was associated with methylation of three sites, two (hypomethylated) near MDS1 and EVI1 complex locus (MECOM) and one (hypermethylated) near spalt-like transcription factor 1 (SALL1), and two regions (both hypomethylated, one on chromosome 3 including MECOM and another on chromosome 8 including rho guanine nucleotide exchange factor (GEF) 10 (ARHGEF10). Differentially methylated sites were at or close to transcription start sites of genes involved in cell damage response (SIAH3, HS3ST4, TP53TG1) in females and cell differentiation, angiogenesis and organ development (MECOM, SALL1) in males. Conclusions: Our preliminary study supports infant sex-specific placental Cd-DNA methylation associations, possibly accounting for previously reported differences in Cd-fetal growth associations across fetal sex. Larger studies are needed to replicate and extend these findings. Such investigations may further our understanding of epigenetic mechanisms underlying maternal Cd burden with suboptimal fetal growth associations. - Highlights: • We examine sex-specific placental-Cd and -genome-wide DNA methylation associations. • In females, associated sites were at/near genes involved in cell damage response. • In males, associated sites were at/near angiogenesis and organ development genes. • Our study supports infant sex-specific placental Cd-DNA methylation associations.

  8. Phase 1 Methyl Iodide Deep-Bed Adsorption Tests

    SciTech Connect (OSTI)

    Nick Soelberg; Tony Watson

    2014-08-01

    Nuclear fission results in the production of fission products (FPs) and activation products including iodine-129, which could evolve into used fuel reprocessing facility off-gas systems, and could require off-gas control to limit air emissions to levels within acceptable emission limits. Research, demonstrations, and some reprocessing plant experience have indicated that diatomic iodine can be captured with efficiencies high enough to meet regulatory requirements. Research on the capture of organic iodides has also been performed, but to a lesser extent [Jubin 2012b]. Several questions remain open regarding the capture of iodine bound in organic compounds. Deep-bed methyl iodide adsorption testing has progressed according to a multi-laboratory methyl iodide adsorption test plan. This report summarizes the first phase of methyl iodide adsorption work performed according to this test plan using the deep-bed iodine adsorption test system at the Idaho National Laboratory (INL), performed during Fiscal Year (FY) 2013 and early FY-2014. Testing has been performed to address questions posed in the test plan, and followed the testing outline in the test plan. Tests established detection limits, developed procedures for sample analysis with minimal analytical interferences, and confirmed earlier results that show that the methyl iodide reacts when in contact with the AgZ sorbent, and not significantly in the gas flow upstream of the sorbent. The reaction(s) enable separation of the iodine from the organic moiety, so that the iodine can chemisorb onto the sorbent. The organic moiety can form other compounds, some of which are organic compounds that are detected and can be tentatively identified using GC-FID and GCMS. Test results also show that other gas constituents (NOx and/or H2O) can affect the methyl iodide reactions. With NOx and H2O present in the gas stream, the majority of uncaptured iodine exiting iodine-laden sorbent beds is in the form of I2 or HI, species that are soluble in NaOH scrubbing solution for iodine analysis. But when NOx and H2O are not present, then the majority of the uncaptured iodine exiting iodine-laden sorbent is in the form of methyl iodide. Methyl iodide adsorption efficiencies have been high enough so that initial DFs exceed 1,000 to 10,000. The methyl iodide mass transfer zone depths are estimated at 4-8 inches, possibly deeper than mass transfer zone depths estimated for I2 adsorption on AgZ. Additional deep-bed testing and analyses are recommended to (a) expand the data base for methyl iodide adsorption under various conditions specified in the methyl iodide test plan, and (b) provide more data for evaluating organic iodide reactions and reaction byproducts for different potential adsorption conditions.

  9. Supply Impacts of an MTBE Ban

    Reports and Publications (EIA)

    2002-01-01

    This paper analyzes the supply impacts of removing methyl tertiary butyl ether (MTBE) from gasoline.

  10. Chemically induced Parkinson's disease: intermediates in the oxidation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine to the 1-methyl-4-phenyl-pyridinium ion

    SciTech Connect (OSTI)

    Chacon, J.N.; Chedekel, M.R.; Land, E.J.; Truscott, T.G.

    1987-04-29

    Various unstable intermediate oxidation states have been postulated in the metabolic activation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine to the 1-methyl-4-phenyl pyridinium ion. We now report the first direct observation of these free radical intermediates by pulse radiolysis and flash photolysis. Studies are described of various reactions of such species, in particular with dopamine whose autoxidation to dopamine quinone is reported to be potentiated by 1-methyl-4-phenyl-1,2,3, 6-tetrahydropyridine.

  11. Iridium profile for 10 million years across the Cretaceous-Tertiary boundary at Gubbio (Italy)

    SciTech Connect (OSTI)

    Alvarez, W.; Montanari, A. ); Asaro, F. )

    1990-12-21

    The iridium anomaly at the Cretaceous-Tertiary (KT) boundary was discovered in the pelagic limestone sequence at Gubbio on the basis of 12 samples analyzed by neutron activation analysis (NAA) and was interpreted as indicating impact of a large extraterrestrial object at exactly the time of the KT mass extinction. Continuing controversy over the shape of the Ir profile at the Gubbio KT boundary and its interpretation called for a more detailed follow-up study. Analysis of a 57-meter-thick, 10-million-year-old part of the Gubbio sequence using improved NAA techniques revealed that there is only one Ir anomaly at the KT boundary, but this anomaly shows an intricate fine structure, the origin of which cannot yet be entirely explained. The KT Ir anomaly peaks in a 1-centimeter-thick clay layer, where the average Ir concentration is 3,000 parts per trillion (ppt); this peak is flanked by tails with Ir concentrations of 20 to 80 ppt that rise above a background of 12 to 13 ppt. The fine structure of the tails is probably due in part to lateral reworking, diffusion, burrowing, and perhaps Milankovitch cyclicity.

  12. Synsedimentary tectonics in Late Cretaceous-Early Tertiary pelagic basin of northern Apennines, Italy

    SciTech Connect (OSTI)

    Montanari, A.; Chan, L.S.; Alvarez, W.

    1987-05-01

    The sequence of Upper Cretaceous-Lower Tertiary pelagic limestones in the Umbria-Marches Apennines of Italy have recorded, with remarkable continuity, the geologic history of an epeiric sea on the eastern continental margin of the Ligurian Ocean during a time of widespread tectonism in the western Tethys domain. Sedimentary facies and paleocurrent analyses indicate that intrabasinal depocenters and structural highs have formed in response to extensional tectonic movements which started to affect the central part of the paleobasin in the early Turonian. The topography of the paleobasin was probably controlled by a complex pattern of buried fault blocks formed during the passive margin phase of the western Tethys and then reactivated in the Turonian after a prolonged time (Aptian to Cenomanian) of tectonic quiescence. Calcareous turbidites essentially made of remobilized pelagic mud were generated on the newly formed intrabasinal slopes and deposited in the adjacent depocenters. Conspicuous sedimentary events such as maxima in turbiditic deposition and soft-sediment slumps in these intrabasinal depocenters are attributed to major syndepositional earthquakes of regional extent. A detailed event-stratigraphy based on these sedimentary features indicates that the level of syndepositional tectonic activity reached a peak in the late Maastrichtian-early Paleocene and rapidly diminished in the Eocene.

  13. SYNTHESIS OF METHYL METHACRYLATE FROM COAL-DERIVED SYNGAS

    SciTech Connect (OSTI)

    Makarand R. Gogate; James J. Spivey; Joseph R. Zoeller; Richard D. Colberg; Gerald N. Choi; Samuel S. Tam

    1999-04-21

    Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. The research team has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, we are currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. Over the last quarter (January-March/99), in-situ formaldehyde generation and condensation with methyl propionate were tested over various catalysts and reaction conditions. The patent application is in preparation and the results are retained for future reports.

  14. Tropospheric oxidation mechanism of dimethyl ether and methyl formate

    SciTech Connect (OSTI)

    Good, D.A.; Francisco, J.S.

    2000-02-17

    The oxidation mechanism of dimethyl ether is investigated using ab initio methods. The structure and energetics of reactants, products, and transition structures are determined for all pathways involved in the oxidation mechanism. The detailed pathways leading to the experimentally observed products of dimethyl ether oxidation are presented. The energetics of over 50 species and transition structures involved in the oxidation process are calculated with G2 and G2(MP2) energies. The principal pathway following the initial attack of dimethyl ether (CH{sub 3}OCH{sub 3}) by the OH radical is the formation of the methoxymethyl radical (CH{sub 2}OCH{sub 3}). Oxidation steps lead to the formation of methyl formate, which is consistent with the experimentally observed products. Oxidation pathways of methyl formate are also considered.

  15. Synthesis of 6-Methyl-9-n-propyldibenzothiophene-4-ol

    SciTech Connect (OSTI)

    Not Available

    1991-10-28

    The material presented here has been described to some extent in Status Reports 12, 13, and 14 and covers the progress toward the synthesis of the modified target molecules 9-isopropyl-4-methoxy-6-methyldibenzothiophene (13) and 9-isopropyl-6-methyldibenzothiophene-4-ol (14). It is divided into three parts: (a) Dehydrogenation experiments On tetrahydrodibenzothiophene 12. (b) methoxyl methyl cleavage of 13 to 14 using boron tribromide. (c) isolation and purification of methoxydibenzothiophene 13.

  16. FY-2015 Methyl Iodide Deep-Bed Adsorption Test Report

    SciTech Connect (OSTI)

    Soelberg, Nicholas Ray; Watson, Tony Leroy

    2015-09-30

    Nuclear fission produces fission and activation products, including iodine-129, which could evolve into used fuel reprocessing facility off-gas systems, and could require off-gas control to limit air emissions to levels within acceptable emission limits. Deep-bed methyl iodide adsorption testing has continued in Fiscal Year 2015 according to a multi-laboratory methyl iodide adsorption test plan. Updates to the deep-bed test system have also been performed to enable the inclusion of evaporated HNO3 and increased NO2 concentrations in future tests. This report summarizes the result of those activities. Test results showed that iodine adsorption from gaseous methyl iodide using reduced silver zeolite (AgZ) resulted in initial iodine decontamination factors (DFs, ratios of uncontrolled and controlled total iodine levels) under 1,000 for the conditions of the long-duration test performed this year (45 ppm CH3I, 1,000 ppm each NO and NO2, very low H2O levels [3 ppm] in balance air). The mass transfer zone depth exceeded the cumulative 5-inch depth of 4 bed segments, which is deeper than the 2-4 inch depth estimated for the mass transfer zone for adsorbing I2 using AgZ in prior deep-bed tests. The maximum iodine adsorption capacity for the AgZ under the conditions of this test was 6.2% (6.2 g adsorbed I per 100 g sorbent). The maximum Ag utilization was 51%. Additional deep-bed testing and analyses are recommended to (a) expand the data base for methyl iodide adsorption and (b) provide more data for evaluating organic iodide reactions and reaction byproducts for different potential adsorption conditions.

  17. Use of Treated Municipal Wastewater as Power Plant Cooling System Makeup Water: Tertiary Treatment versus Expanded Chemical Regimen for Recirculating Water Quality Management

    SciTech Connect (OSTI)

    David Dzombak; Radisav Vidic; Amy Landis

    2012-06-30

    Treated municipal wastewater is a common, widely available alternative source of cooling water for thermoelectric power plants across the U.S. However, the biodegradable organic matter, ammonia-nitrogen, carbonate and phosphates in the treated wastewater pose challenges with respect to enhanced biofouling, corrosion, and scaling, respectively. The overall objective of this study was to evaluate the benefits and life cycle costs of implementing tertiary treatment of secondary treated municipal wastewater prior to use in recirculating cooling systems. The study comprised bench- and pilot-scale experimental studies with three different tertiary treated municipal wastewaters, and life cycle costing and environmental analyses of various tertiary treatment schemes. Sustainability factors and metrics for reuse of treated wastewater in power plant cooling systems were also evaluated. The three tertiary treated wastewaters studied were: secondary treated municipal wastewater subjected to acid addition for pH control (MWW_pH); secondary treated municipal wastewater subjected to nitrification and sand filtration (MWW_NF); and secondary treated municipal wastewater subjected nitrification, sand filtration, and GAC adsorption (MWW_NFG). Tertiary treatment was determined to be essential to achieve appropriate corrosion, scaling, and biofouling control for use of secondary treated municipal wastewater in power plant cooling systems. The ability to control scaling, in particular, was found to be significantly enhanced with tertiary treated wastewater compared to secondary treated wastewater. MWW_pH treated water (adjustment to pH 7.8) was effective in reducing scale formation, but increased corrosion and the amount of biocide required to achieve appropriate biofouling control. Corrosion could be adequately controlled with tolytriazole addition (4-5 ppm TTA), however, which was the case for all of the tertiary treated waters. For MWW_NF treated water, the removal of ammonia by nitrification helped to reduce the corrosivity and biocide demand. Also, the lower pH and alkalinity resulting from nitrification reduced the scaling to an acceptable level, without the addition of anti-scalant chemicals. Additional GAC adsorption treatment, MWW_NFG, yielded no net benefit. Removal of organic matter resulted in pitting corrosion in copper and cupronickel alloys. Negligible improvement was observed in scaling control and biofouling control. For all of the tertiary treatments, biofouling control was achievable, and most effectively with pre-formed monochloramine (2-3 ppm) in comparison with NaOCl and ClO2. Life cycle cost (LCC) analyses were performed for the tertiary treatment systems studied experimentally and for several other treatment options. A public domain conceptual costing tool (LC3 model) was developed for this purpose. MWW_SF (lime softening and sand filtration) and MWW_NF were the most cost-effective treatment options among the tertiary treatment alternatives considered because of the higher effluent quality with moderate infrastructure costs and the relatively low doses of conditioning chemicals required. Life cycle inventory (LCI) analysis along with integration of external costs of emissions with direct costs was performed to evaluate relative emissions to the environment and external costs associated with construction and operation of tertiary treatment alternatives. Integrated LCI and LCC analysis indicated that three-tiered treatment alternatives such as MWW_NSF and MWW_NFG, with regular chemical addition for treatment and conditioning and/or regeneration, tend to increase the impact costs and in turn the overall costs of tertiary treatment. River water supply and MWW_F alternatives with a single step of tertiary treatment were associated with lower impact costs, but the contribution of impact costs to overall annual costs was higher than all other treatment alternatives. MWW_NF and MWW_SF alternatives exhibited moderate external impact costs with moderate infrastructure and chemical conditioner dosing, which makes them (especially MWW_NF) better treatment alternatives from the environmental sustainability perspective since they exhibited minimal contribution to environmental damage from emissions.

  18. Methyl aryl ethers from coal liquids as gasoline extenders and octane improvers

    SciTech Connect (OSTI)

    Singerman, G.M.

    1980-11-01

    A mixture of methyl aryl ethers derived from the phenols present in direct liquefaction coal liquids shows considerable promise as a gasoline blending agent and octane improver. The mixture of methyl aryl ethers was blended at five volume percent with a commercial, unleaded gasoline. The properties and performance of the blend in a variety of laboratory and automotive tests is reported. The tests show that the mixture of methyl aryl ethers improves gasoline octane without degrading other gasoline properties.

  19. The Structural Basis for Tight Control of PP2A Methylation and Function by

    Office of Scientific and Technical Information (OSTI)

    LCMT-1 (Journal Article) | SciTech Connect The Structural Basis for Tight Control of PP2A Methylation and Function by LCMT-1 Citation Details In-Document Search Title: The Structural Basis for Tight Control of PP2A Methylation and Function by LCMT-1 Proper formation of protein phosphatase 2A (PP2A) holoenzymes is essential for the fitness of all eukaryotic cells. Carboxyl methylation of the PP2A catalytic subunit plays a critical role in regulating holoenzyme assembly; methylation is

  20. Vacuum ultraviolet and infrared spectra of condensed methyl acetate on cold astrochemical dust analogs

    SciTech Connect (OSTI)

    Sivaraman, B.; Nair, B. G.; Mason, N. J.; Lo, J.-I.; Cheng, B.-M.; Kundu, S.; Davis, D.; Prabhudesai, V.; Krishnakumar, E.; Raja Sekhar, B. N.

    2013-12-01

    Following the recent report of the first identification of methyl acetate (CH{sub 3}COOCH{sub 3}) in the interstellar medium (ISM), we have carried out vacuum ultraviolet (VUV) and infrared (IR) spectroscopy studies on methyl acetate from 10 K until sublimation in an ultrahigh vacuum chamber simulating astrochemical conditions. We present the first VUV and IR spectra of methyl acetate relevant to ISM conditions. Spectral signatures clearly showed molecular reorientation to have started in the ice by annealing the amorphous ice formed at 10 K. An irreversible phase change from amorphous to crystalline methyl acetate ice was found to occur between 110 K and 120 K.

  1. Exploring the roles of DNA methylation in the metal-reducing bacterium Shewanella oneidensis MR-1

    SciTech Connect (OSTI)

    Bendall, Matthew L.; Luong, Khai; Wetmore, Kelly M.; Blow, Matthew; Korlach, Jonas; Deutschbauer, Adam; Malmstrom, Rex

    2013-08-30

    We performed whole genome analyses of DNA methylation in Shewanella 17 oneidensis MR-1 to examine its possible role in regulating gene expression and 18 other cellular processes. Single-Molecule Real Time (SMRT) sequencing 19 revealed extensive methylation of adenine (N6mA) throughout the 20 genome. These methylated bases were located in five sequence motifs, 21 including three novel targets for Type I restriction/modification enzymes. The 22 sequence motifs targeted by putative methyltranferases were determined via 23 SMRT sequencing of gene knockout mutants. In addition, we found S. 24 oneidensis MR-1 cultures grown under various culture conditions displayed 25 different DNA methylation patterns. However, the small number of differentially 26 methylated sites could not be directly linked to the much larger number of 27 differentially expressed genes in these conditions, suggesting DNA methylation is 28 not a major regulator of gene expression in S. oneidensis MR-1. The enrichment 29 of methylated GATC motifs in the origin of replication indicate DNA methylation 30 may regulate genome replication in a manner similar to that seen in Escherichia 31 coli. Furthermore, comparative analyses suggest that many 32 Gammaproteobacteria, including all members of the Shewanellaceae family, may 33 also utilize DNA methylation to regulate genome replication.

  2. Unexpected methyl migrations of ethanol dimer under synchrotron VUV radiation

    SciTech Connect (OSTI)

    Xiao, Weizhan; Hu, Yongjun E-mail: lssheng@ustc.edu.cn; Li, Weixing; Guan, Jiwen; Liu, Fuyi; Shan, Xiaobin; Sheng, Liusi E-mail: lssheng@ustc.edu.cn

    2015-01-14

    While methyl transfer is well known to occur in the enzyme- and metal-catalyzed reactions, the methyl transfer in the metal-free organic molecules induced by the photon ionization has been less concerned. Herein, vacuum ultraviolet single photon ionization and dissociation of ethanol dimer are investigated with synchrotron radiation photoionization mass spectroscopy and theoretical methods. Besides the protonated clusters cation (C{sub 2}H{sub 5}OH) ⋅ H{sup +} (m/z = 47) and the β-carbon-carbon bond cleavage fragment CH{sub 2}O ⋅ (C{sub 2}H{sub 5}OH)H{sup +} (m/z = 77), the measured mass spectra revealed that a new fragment (C{sub 2}H{sub 5}OH) ⋅ (CH{sub 3}){sup +} (m/z = 61) appeared at the photon energy of 12.1 and 15.0 eV, where the neutral dimer could be vertically ionized to higher ionic state. Thereafter, the generated carbonium ions are followed by a Wagner-Meerwein rearrangement and then dissociate to produce this new fragment, which is considered to generate after surmounting a few barriers including intra- and inter-molecular methyl migrations by the aid of theoretical calculations. The appearance energy of this new fragment is measured as 11.55 ± 0.05 eV by scanning photoionization efficiency curve. While the signal intensity of fragment m/z = 61 starts to increase, the fragments m/z = 47 and 77 tend to slowly incline around 11.55 eV photon energy. This suggests that the additional fragment channels other than (C{sub 2}H{sub 5}OH) ⋅ H{sup +} and CH{sub 2}O ⋅ (C{sub 2}H{sub 5}OH)H{sup +} have also been opened, which consume some dimer cations. The present report provides a clear description of the photoionization and dissociation processes of the ethanol dimer in the range of the photon energy 12-15 eV.

  3. High Temperature Chemical Kinetic Combustion Modeling of Lightly Methylated Alkanes

    SciTech Connect (OSTI)

    Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M

    2011-03-01

    Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed high temperature chemical kinetic mechanism for n-octane and three lightly branched isomers octane (i.e., 2-methylheptane, 3-methylheptane, and 2,5-dimethylhexane). The model is validated against experimental data from a variety of fundamental combustion devices. This new model is used to show how the location and number of methyl branches affects fuel reactivity including laminar flame speed and species formation.

  4. Methyl-CpG island-associated genome signature tags

    DOE Patents [OSTI]

    Dunn, John J

    2014-05-20

    Disclosed is a method for analyzing the organismic complexity of a sample through analysis of the nucleic acid in the sample. In the disclosed method, through a series of steps, including digestion with a type II restriction enzyme, ligation of capture adapters and linkers and digestion with a type IIS restriction enzyme, genome signature tags are produced. The sequences of a statistically significant number of the signature tags are determined and the sequences are used to identify and quantify the organisms in the sample. Various embodiments of the invention described herein include methods for using single point genome signature tags to analyze the related families present in a sample, methods for analyzing sequences associated with hyper- and hypo-methylated CpG islands, methods for visualizing organismic complexity change in a sampling location over time and methods for generating the genome signature tag profile of a sample of fragmented DNA.

  5. Review and reconnaissance of the hydrogeology of Tertiary sedimentary rocks in the vicinity of Frenchman Flat, Nevada Test Site

    SciTech Connect (OSTI)

    Prothro, L.B.; Drellack, S.L. Jr.

    1997-09-01

    Work is currently underway within the Underground Test Area (UGTA) subproject of the US Department of Energy/Nevada Operations Office Environmental Restoration Program to develop corrective action plans in support of the overall corrective action strategy for the Nevada Test Site (NTS) as established in the Federal Facility Agreement and Consent Order (FFACO, 1996). A closure plan is currently being developed for Frenchman Flat, which has been identified in the FFACO as a Corrective Action Unit (CAU). Part of this effort requires that hydrogeologic data be compiled for inclusion in a CAU-specific hydrologic flow and transport model that will be used to predict contaminant boundaries. Hydrogeologic maps and cross sections are currently being prepared for use in the model to define the nature and extent of aquifers and confining units that might influence the flow of contaminated groundwater from underground nuclear tests conducted in Frenchman Flat. During this effort, it has been found that older Tertiary-age sediments might be hydrogeologically important in the Frenchman Flat model area. Although the character and extent of these units are poorly known, there is reason to believe that in some parts of Frenchman Flat they may lie between the regional Lower Carbonate Aquifer (LCA) and the younger Tertiary saturated alluvium and volcanic units in which several underground nuclear tests were conducted. It was not possible to quickly determine their extent, or ascertain whether or not these units might act as confining units or aquifers. The work described in this report was done to gain a better understanding of the hydrogeology of these rocks.

  6. Global prevalence and distribution of genes and microorganisms involved in mercury methylation

    SciTech Connect (OSTI)

    Podar, Mircea; Gilmour, C C; Brandt, Craig C; Bullock, Allyson L; Brown, Steven D; Crable, Bryan R; Palumbo, Anthony Vito; Somenahally, Anil C; Elias, Dwayne A

    2015-01-01

    Mercury methylation produces the neurotoxic, highly bioaccumulative methylmercury (MeHg). Recent identification of the methylation genes (hgcAB) provides the foundation for broadly evaluating microbial Hg-methylation potential in nature without making explicit rate measurements. We queried hgcAB diversity and distribution in all available microbial metagenomes, encompassing most environments. The genes were found in nearly all anaerobic, but not in aerobic, environments including oxygenated layers of the open ocean. Critically, hgcAB was effectively absent in ~1500 human microbiomes, suggesting a low risk of endogenous MeHg production. New potential methylation habitats were identified, including invertebrate guts, thawing permafrost, coastal dead zones , soils, sediments, and extreme environments, suggesting multiple routes for MeHg entry into food webs. Several new taxonomic groups potentially capable of Hg-methylation emerged, including lineages having no cultured representatives. We begin to address long-standing evolutionary questions about Hg-methylation and ancient carbon fixation mechanisms while generating a new global view of Hg-methylation potential.

  7. Global prevalence and distribution of genes and microorganisms involved in mercury methylation

    SciTech Connect (OSTI)

    Podar, Mircea; Gilmour, C. C.; Brandt, Craig C.; Soren, Allyson; Brown, Steven D.; Crable, Bryan R.; Palumbo, Anthony Vito; Somenahally, Anil C.; Elias, Dwayne A.

    2015-01-01

    Mercury methylation produces the neurotoxic, highly bioaccumulative methylmercury (MeHg). Recent identification of the methylation genes (hgcAB) provides the foundation for broadly evaluating microbial Hg-methylation potential in nature without making explicit rate measurements. We first queried hgcAB diversity and distribution in all available microbial metagenomes, encompassing most environments. The genes were found in nearly all anaerobic, but not in aerobic, environments including oxygenated layers of the open ocean. Critically, hgcAB was effectively absent in ~1500 human microbiomes, suggesting a low risk of endogenous MeHg production. New potential methylation habitats were identified, including invertebrate guts, thawing permafrost, coastal dead zones, soils, sediments, and extreme environments, suggesting multiple routes for MeHg entry into food webs. Several new taxonomic groups potentially capable of Hg-methylation emerged, including lineages having no cultured representatives. We then begin to address long-standing evolutionary questions about Hg-methylation and ancient carbon fixation mechanisms while generating a new global view of Hg-methylation potential.

  8. SYNTHESIS OF METHYL METHACRYLATE FROM COAL-DERIVED SYNGAS

    SciTech Connect (OSTI)

    BEN W.-L. JANG; GERALD N. CHOI; JAMES J. SPIVEY; JOSPEH R. ZOELLER; RICHARD D. COLBERG

    1999-01-20

    Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. The research team has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, we are currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. Over the last quarter(Oct.-Dec./98), we have investigated the condensation between methyl propionate and formaldehyde (MP/HCHO=4.5/1) at various reaction temperatures(280-360EC) over 5%, 10%, and 20% Nb O /SiO catalysts. The conversion of HCHO increases with reaction 2 5 2 temperature and niobium loading. MMA+MAA selectivity goes through a maximum with the temperature over both 10% and 20% Nb O /SiO . The selectivities to MMA+MAA are 67.2%, 2 5 2 72.3%and 58.1% at 320EC over 5%, 10%, 20% Nb O /SiO , respectively. However, the 2 5 2 conversion of formaldehyde decreases rapidly with time on stream. The results suggest that silica supported niobium catalysts are active and selective for condensation of MP with HCHO, but deactivation needs to be minimized for the consideration of commercial application. We have preliminarily investigated the partial oxidation of dimethyl ether(DME) over 5% Nb O /SiO catalyst. Reactant gas mixture of 0.1% DME, 0.1% O and balance nitrogen is 2 5 2 2 studied with temperature ranging from 200°C to 500°C. The conversion of DME first increases with temperature reaching an maximum at 400°C then decreases. The selectivity to HCHO also increases with reaction temperature first. But the selectivity to HCHO decreases at temperature above 350°C accompanied by the increasing selectivity to CO . The results suggest that silica 2 supported niobium catalysts are active for partial oxidation of DME to HCHO. Best temperatures for partial oxidation are between 300 and 400°C. A short paper submitted to the ACS National Meeting at Anaheim(March 1999) was accepted for oral presentation. The title is �Catalytic Synthesis of Methacrylates over Silica Supported Niobium Catalysts� and will appear in the ACS preprints.

  9. SYNTHESIS OF METHYL METHACRYLATE FROM COAL-DERIVED SYNGAS

    SciTech Connect (OSTI)

    Makarand R. Gogate; James J. Spivey; Joseph R. Zoeller; Richard D. Colberg; Gerald N. Choi

    1999-07-19

    Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. The research team has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, we are currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. During the April-June quarter(04-06/99) the first in-situ formaldehyde generation from DME and condensation with methyl propionate is demonstrated and the results are summarized. The supported niobium catalyst shows better condensation activity, but supported tungsten catalyst has higher formaldehyde selectivity. The project team has also completed a 200-hour long term test of PA-HCHO condensation over 30% Nb{sub 2}O{sub 5}/SiO{sub 2}. Three activity cycles and two regeneration cycles were carried out. 30% Nb{sub 2}O{sub 5}/SiO{sub 2} showed similar MAA yields as 10% Nb{sub 2}O{sub 5}/SiO{sub 2} at 300 C. However, the deactivation appears to be slower with 30% Nb{sub 2}O{sub 5}/SiO{sub 2} than 10% Nb{sub 2}O{sub 5}/SiO{sub 2}. An detailed economic analysis of PA-HCHO condensation process for a 250 million lb/yr MMA plant is currently studied by Bechtel. Using the Amoco data-based azeotropic distillation model as the basis, an ASPEN flow sheet model was constructed to simulate the formaldehyde and propionic acid condensation processing section based on RTI's design data. The RTI MAA effluent azeotropic distillation column was found to be much more difficult to converge. The presence of non-condensible gases along with the byproduct DEK (both of which were not presented in Amoco's data) appear to the culprits.

  10. Thermochemistry of C-O, (CO)-O, and (CO)-C bond breaking in fatty acid methyl esters

    SciTech Connect (OSTI)

    Osmont, Antoine; Yahyaoui, Mohammed; Catoire, Laurent; Goekalp, Iskender; Swihart, Mark T.

    2008-10-15

    Density functional theory quantum chemical calculations corrected with empirical atomic increments have been used to examine C-O, (CO)-O, and (CO)-C bond scission enthalpies in gas-phase fatty acid methyl esters (FAMEs) present in biodiesel derived from rapeseed oil methyl ester and soybean oil methyl ester. Mechanistic information, currently not available elsewhere for these large species, is obtained based on thermochemical considerations and compared to thermochemical considerations reported for methyl butanoate, a small methyl ester sometimes used as a model for FAMEs. These results are compared to previously reported C-C and C-H bond scissions in these FAMEs, derived using this same protocol. (author)

  11. Synthesis of Methyl Methacrylate from Coal-Derived Syngas

    SciTech Connect (OSTI)

    Gerald N. Choi; James J. Spivey; Jospeh R. Zoeller; Makarand R. Gogate; Richard D. Colberg; Samuel S. Tam

    1998-04-17

    Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. RTI has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, RTI is currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. Over the last month, RTI has finalized the design of a fixed-bed microreactor system for DME partial oxidation reactions. RTI incorporated some design changes to the feed blending system, so as to be able to blend varying proportions of DME and oxygen. RTI has also examined the flammability limits of DME-air mixtures. Since the lower flammability limit of DME in air is 3.6 volume percent, RTI will use a nominal feed composition of 1.6 percent in air, which is less than half the lower explosion limit for DME-air mixtures. This nominal feed composition is thus considered operationally safe, for DME partial oxidation reactions. RTI is also currently developing an analytical system for DME partial oxidation reaction system.

  12. Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin...

    Office of Scientific and Technical Information (OSTI)

    Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA Citation Details In-Document Search Title: Optimized End-Stacking ...

  13. The Structural Basis for Tight Control of PP2A Methylation and...

    Office of Scientific and Technical Information (OSTI)

    The Structural Basis for Tight Control of PP2A Methylation and Function by LCMT-1 Citation Details In-Document Search Title: The Structural Basis for Tight Control of PP2A ...

  14. Effects of nickel, chromate, and arsenite on histone 3 lysine methylation

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Effects of nickel, chromate, and arsenite on histone 3 lysine methylation Citation Details In-Document Search Title: Effects of nickel, chromate, and arsenite on histone 3 lysine methylation Occupational exposure to nickel (Ni), chromium (Cr), and arsenic (As) containing compounds has been associated with lung cancer and other adverse health effects. Their carcinogenic properties may be attributable in part, to activation and/or repression of gene

  15. Modulation of histone methylation and MLH1 gene silencing by hexavalent

    Office of Scientific and Technical Information (OSTI)

    chromium (Journal Article) | SciTech Connect Modulation of histone methylation and MLH1 gene silencing by hexavalent chromium Citation Details In-Document Search Title: Modulation of histone methylation and MLH1 gene silencing by hexavalent chromium Hexavalent chromium [Cr(VI)] is a mutagen and carcinogen, and occupational exposure can lead to lung cancers and other adverse health effects. Genetic changes resulting from DNA damage have been proposed as an important mechanism that mediates

  16. Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX

    Office of Scientific and Technical Information (OSTI)

    for Human Telomeric G-Quadruplex DNA (Journal Article) | SciTech Connect Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA Citation Details In-Document Search Title: Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA Authors: Nicoludis, John M. ; Miller, Stephen T. ; Jeffrey, Philip D. ; Barrett, Steven P. ; Rablen, Paul R. ; Lawton, Thomas J. ; Yatsunyk, Liliya A. [1] ;

  17. Radio-methyl vorozole and methods for making and using the same

    DOE Patents [OSTI]

    Kim, Sung Won; Biegon, Anat; Fowler, Joanna S.

    2014-08-05

    Radiotracer vorozole compounds for in vivo and in vitro assaying, studying and imaging cytochrome P450 aromatase enzymes in humans, animals, and tissues and methods for making and using the same are provided. [N-radio-methyl] vorozole substantially separated from an N-3 radio-methyl isomer of vorozole is provided. Separation is accomplished through use of chromatography resins providing multiple mechanisms of selectivity.

  18. Radio-methyl vorozole and methods for making and using the same

    DOE Patents [OSTI]

    Kim, Sung Won; Biegon, Anat; Fowler, Joanna S.

    2014-08-12

    Radiotracer vorozole compounds for in vivo and in vitro assaying, studying and imaging cytochrome P450 aromatase enzymes in humans, animals, and tissues and methods for making and using the same are provided. [N-radio-methyl] vorozole substantially separated from an N-3 radio-methyl isomer of vorozole is provided. Separation is accomplished through use of chromatography resins providing multiple mechanisms of selectivity.

  19. Determination of Total Lipids as Fatty Acid Methyl Esters (FAME) by in situ

    Office of Scientific and Technical Information (OSTI)

    Transesterification: Laboratory Analytical Procedure (LAP) (Technical Report) | SciTech Connect Determination of Total Lipids as Fatty Acid Methyl Esters (FAME) by in situ Transesterification: Laboratory Analytical Procedure (LAP) Citation Details In-Document Search Title: Determination of Total Lipids as Fatty Acid Methyl Esters (FAME) by in situ Transesterification: Laboratory Analytical Procedure (LAP) This procedure is based on a whole biomass transesterification of lipids to fatty acid

  20. Experimental and Kinetic Modeling Study of Extinction and Ignition of Methyl Decanoate in Laminar Nonpremixed Flows

    SciTech Connect (OSTI)

    Seshadri, K; Lu, T; Herbinet, O; Humer, S; Niemann, U; Pitz, W J; Law, C K

    2008-01-09

    Methyl decanoate is a large methyl ester that can be used as a surrogate for biodiesel. In this experimental and computational study, the combustion of methyl decanoate is investigated in nonpremixed, nonuniform flows. Experiments are performed employing the counterflow configuration with a fuel stream made up of vaporized methyl decanoate and nitrogen, and an oxidizer stream of air. The mass fraction of fuel in the fuel stream is measured as a function of the strain rate at extinction, and critical conditions of ignition are measured in terms of the temperature of the oxidizer stream as a function of the strain rate. It is not possible to use a fully detailed mechanism for methyl decanoate to simulate the counterflow flames because the number of species and reactions is too large to employ with current flame codes and computer resources. Therefore a skeletal mechanism was deduced from a detailed mechanism of 8555 elementary reactions and 3036 species using 'directed relation graph' method. This skeletal mechanism has only 713 elementary reactions and 125 species. Critical conditions of ignition were calculated using this skeletal mechanism and are found to agree well with experimental data. The predicted strain rate at extinction is found to be lower than the measurements. In general, the methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

  1. Synthesis of Methyl Methacrylate From Coal-Derived Syngas

    SciTech Connect (OSTI)

    Ben W.-L. Jang; Gerald N. Choi; James J. Spivey; Jospeh R. Zoeller; Richard D. Colberg; Samuel S. Tam

    1998-07-27

    Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. RTI has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, RTI is currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. Over the last quarter(April-June, 1998), RTI has modified the reactor system including a new preheater and new temperature settings for the preheater. Continuous condensation of formaldehyde with propionic acid were carried out over 10% Nb O /SiO at 300°C without 2 5 2 interruption. Five activity and four regeneration cycles have been completed without plugging or material balance problems. The results show that 10% Nb O /SiO deactivates slowly with time 2 5 2 but can be regenerated, at least four times, to 100% of its original activity with 2% O in nitrogen 2 at 400°C. The cycles continue with consistent 90-95% of carbon balance. The reaction is scheduled to complete with 6 activity cycles and 5 regenerations. Used catalysts will be analyzed with TGA and XPS to determine bulk and surface coke content and coke properties. RTI will start the investigation of effects of propionic acid/formaldehyde ratio on reaction activity and product selectivity over 20% Nb O /SiO catalysts.

  2. SYNTHESIS OF METHYL METHACRYLATE FROM COAL-DERIVED SYNGAS

    SciTech Connect (OSTI)

    BEN W.-L. JANG; GERALD N. CHOI; JAMES J. SPIVEY; JOSPEH R. ZOELLER; RICHARD D. COLBERG

    1998-10-20

    Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. RTI has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, RTI is currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. Over the last quarter (July-September, 1998), the project team has completed the continuous condensation of formaldehyde with propionic acid over 10% Nb{sub 2}O{sub 5}/SiO{sub 2} at 300 C. Six activity and five regeneration cycles have been completed. The results show that 10% Nb{sub 2}O{sub 5}/SiO{sub 2} deactivates slowly with time but can be regenerated to its original activity with 2% O{sub 2} in nitrogen over night at 400 C. We have investigated the effects of regeneration, propionic acid/formaldehyde ratio (PA/HCHO = 4.5/1 to 1.5/1) and reaction temperature(280-300 C) on reaction activity and product selectivity over 20% Nb{sub 2}O{sub 5}/SiO{sub 2} catalysts. The regeneration effect on 20% Nb{sub 2}O{sub 5}/SiO{sub 2} is similar to the effect on 10% Nb{sub 2}O{sub 5}/SiO{sub 2}. The regeneration can bring the deactivated catalyst to its original activity. However, the selectivity to MAA decreases with regeneration while the selectivity to DEK and CO{sub 2} increases. When PA/HCHO ratio is decreased from 4.5/1 to 2.25/1 then to 1.5/1 at 300 C the MAA yield decreases but the MAA selectivity first increases then decreases. Decreasing the reaction temperature from 300 C to 280 C decreases the MAA yield from 39.5% to 30.7% but increases the MAA selectivity from 73.7% to 82.2%. The results indicate that both temperature and PA/HCHO ratio are important parameters to optimize the economic of the condensation between propionic acid and formaldehyde.

  3. MTBE Production Economics (Released in the STEO April 2001)

    Reports and Publications (EIA)

    2001-01-01

    The purpose of this analysis is to evaluate the causes of methyl tertiary butyl ether (MTBE) price increases in 2000.

  4. Gravity and magnetic anomalies associated with Tertiary volcanism and a Proterozoic crustal boundary, Hopi Buttes volcanic field, Navajo Nation (Arizona)

    SciTech Connect (OSTI)

    Donovan-Ealy, P.F. . Geology Dept.); Hendricks, J.D. )

    1992-01-01

    The Hopi Buttes volcanic field is located in the Navajo Nation of northeastern Arizona, near the southern margin of the Colorado Plateau. Explosive phreatomagmatic eruptions from late Miocene to mid-Pliocene time produced more than 300 maar-diatremes and deposited limburgite tuffs and tuff breccia and monchiquite dikes, necks and flows within a roughly circular 2,500 km[sup 2] area. The volcanic and volcaniclastic rocks make up the middle member of the Bidahochi Formation, whose lower and upper members are lacustrine and fluvial, respectively. The Bidahochi Formation overlies gently dipping Mesozoic sedimentary rocks exposed in the southwestern portion of the volcanic field. Two significant gravity and magnetic anomalies appear within the Hopi Buttes volcanic field that are unlike the signatures of other Tertiary volcanic fields on the Colorado Plateau. A circular 20 mGal negative gravity anomaly is centered over exposed sedimentary rocks in the southwestern portion of the field. The anomaly may be due to the large volume of low density pyroclastic rocks in the volcanic field and/or extensive brecciation of the underlying strata from the violent maar eruptions. The second significant anomaly is the northeast-trending Holbrook lineament, a 5 km-wide gravity and magnetic lineament that crosses the southeastern part of the volcanic field. The lineament reflects substantial gravity and magnetic decreases of 1.67 mGals/km and 100 gammas/km respectively, to the southeast. Preliminary two-dimensional gravity and magnetic modeling suggests the lineament represents a major Proterozoic crustal boundary and may correlate with one of several Proterozoic faults exposed in the transition zone of central Arizona. Gravity modeling shows a 3--5 km step'' in the Moho near the crustal boundary. The decrease in depth of the Moho to the northwest indicates either movement along the fault or magmatic upwelling beneath the volcanic field.

  5. Synthesis Of [2h, 13c] And [2h3, 13c]Methyl Aryl Sulfides

    DOE Patents [OSTI]

    Martinez, Rodolfo A.; Alvarez, Marc A.; Silks, III, Louis A.; Unkefer, Clifford J.

    2004-03-30

    The present invention is directed to labeled compounds, [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2, .sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfides wherein the .sup.13 C methyl group attached to the sulfur of the sulfide includes exactly one, two or three deuterium atoms and the aryl group is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, and R.sub.5 are each independently, hydrogen, a C.sub.1 -C.sub.4 lower alkyl, a halogen, an amino group from the group consisting of NH.sub.2, NHR and NRR' where R and R' are each a C.sub.1 -C.sub.4 lower alkyl, a phenyl, or an alkoxy group. The present invention is also directed to processes of preparing [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2,.sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfides wherein the .sup.13 C methyl group attached to the sulfur of the sulfide includes exactly one, two or three deuterium atoms. The present invention is also directed to the labeled compounds of [.sup.2 H.sub.1, .sup.13 C]methyl iodide and [.sup.2 H.sub.2, .sup.13 C]methyl iodide.

  6. Polylactide?Poly(6-methyl-[espilson]-caprolactone)?Polylactide Thermoplastic Elastomers

    SciTech Connect (OSTI)

    Martello, Mark T.; Hillmyer, Marc A.

    2012-11-14

    Amorphous ABA type block aliphatic polyesters can be useful as degradable and biorenewable thermoplastic elastomers. These materials can be prepared by sequential ring-opening transesterification polymerization (ROTEP) reactions and can exhibit a range of physical properties and morphologies. In this work a set of amorphous polylactide-poly(6-methyl-{epsilon}-caprolactone)-polylactide aliphatic polyester ABA triblock copolymers were prepared by consecutive controlled ring-opening polymerizations. Ring-opening polymerization of neat 6-methyl-{epsilon}-caprolactone in the presence of 1,4-benzenedimethanol and tin(II) octoate afforded {alpha},{omega}-hydroxyl-terminated poly(6-methyl-{epsilon}-caprolactone). High conversions of 6-methyl-{epsilon}-caprolactone (>96%) afforded polymers with molar masses ranging from 12 to 98 kg mol{sup -1}, depending on monomer-to-initiator ratios, polymers with narrow, monomodal molecular weight distributions. An array of polylactide-poly(6-methyl-{epsilon}-caprolactone)-polylactide triblock copolymers with controlled molecular weights and narrow molecular weight distributions were synthesized using the telechelic poly(6-methyl-{epsilon}-caprolactone) samples as macroinitiators for the ring-opening polymerization of D,L-lactide. The morphological, thermal, and mechanical behaviors of these materials were explored. Several triblocks adopted well-ordered microphase-separated morphologies, and both hexagonally packed cylindrical and lamellar structures were observed. The Flory-Huggins interaction parameter was determined, x(T) = 61.2 T{sup -1} - 0.1, based on the order-to-disorder transition temperatures of two symmetric triblocks using the calculated mean field theory result. The elastomeric mechanical behavior of two high molecular weight triblocks was characterized by tensile and elastic recovery experiments.

  7. The role of DNA methylation in catechol-enhanced erythroid differentiation of K562 cells

    SciTech Connect (OSTI)

    Li, Xiao-Fei; Wu, Xiao-Rong; Xue, Ming; Wang, Yan; Wang, Jie; Li, Yang; Suriguga,; Zhang, Guang-Yao; Yi, Zong-Chun

    2012-11-15

    Catechol is one of phenolic metabolites of benzene in vivo. Catechol is also widely used in pharmaceutical and chemical industries. In addition, fruits, vegetables and cigarette smoke also contain catechol. Our precious study showed that several benzene metabolites (phenol, hydroquinone, and 1,2,4-benzenetriol) inhibited erythroid differentiation of K562 cells. In present study, the effect of catechol on erythroid differentiation of K562 cells was investigated. Moreover, to address the role of DNA methylation in catechol-induced effect on erythroid differentiation in K562 cells, methylation levels of erythroid-specific genes were analyzed by Quantitative MassARRAY methylation analysis platform. Benzidine staining showed that exposure to catechol enhanced hemin-induced hemoglobin accumulation in K562 cells in concentration- and time-dependent manners. The mRNA expression of erythroid specific genes, including ?-globin, ?-globin, ?-globin, erythroid 5-aminolevulinate synthase, erythroid porphobilinogen deaminase, and transcription factor GATA-1 genes, showed a significant concentration-dependent increase in catechol-treated K562 cells. The exposure to catechol caused a decrease in DNA methylation levels at a few CpG sites in some erythroid specific genes including ?-globin, ?-globin and erythroid porphobilinogen deaminase genes. These results indicated that catechol improved erythroid differentiation potency of K562 cells at least partly via up-regulating transcription of some erythroid related genes, and suggested that inhibition of DNA methylation might be involved in up-regulated expression of some erythroid related genes. -- Highlights: ? Catechol enhanced hemin-induced hemoglobin accumulation. ? Exposure to catechol resulted in up-regulated expression of erythroid genes. ? Catechol reduced methylation levels at some CpG sites in erythroid genes.

  8. Experimental study of the oxidation of methyl oleate in a jet-stirred reactor

    SciTech Connect (OSTI)

    Bax, Sarah; Hakka, Mohammed Hichem; Glaude, Pierre-Alexandre; Herbinet, Olivier; Battin-Leclerc, Frederique

    2010-06-15

    The experimental study of the oxidation of a blend containing n-decane and a large unsaturated ester, methyl oleate, was performed in a jet-stirred reactor over a wide range of temperature covering both low and high temperature regions (550-1100 K), at a residence time of 1.5 s, at quasi atmospheric pressure with high dilution in helium (n-decane and methyl oleate inlet mole fractions of 1.48 x 10{sup -3} and 5.2 x 10{sup -4}) and under stoichiometric conditions. The formation of numerous reaction products was observed. At low and intermediate temperatures, the oxidation of the blend led to the formation of species containing oxygen atoms like cyclic ethers, aldehydes and ketones deriving from n-decane and methyl oleate. At higher temperature, these species were not formed anymore and the presence of unsaturated species was observed. Because of the presence of the double bond in the middle of the alkyl chain of methyl oleate, the formation of some specific products was observed. These species are dienes and esters with two double bonds produced from the decomposition paths of methyl oleate and some species obtained from the addition of H-atoms, OH and HO{sub 2} radicals to the double bond. Experimental results were compared with former results of the oxidation of a blend of n-decane and methyl palmitate performed under similar conditions. This comparison allowed highlighting the similarities and the differences in the reactivity and in the distribution of the reaction products for the oxidation of large saturated and unsaturated esters. (author)

  9. Crystal structure of 1-methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea

    SciTech Connect (OSTI)

    Habibi, A. Ghorbani, H. S.; Bruno, G.; Rudbari, H. A.; Valizadeh, Y.

    2013-12-15

    The crystal structure of 1-Methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea (C{sub 9}H{sub 12}N{sub 2}O{sub 5}) has been determined by single crystal X-ray diffraction analysis. The crystals are monoclinic, a = 5.3179(2), b = 18.6394(6), c =10.8124(3) , ? = 100.015(2), Z = 4, sp. gr. P2{sub 1}/c, R = 0.0381 for 2537 reflections with I > 2?(I). Except for C(CH{sub 3}){sub 2} group, the molecule is planar. The structure is stabilized by inter- and intramolecular N-H...O hydrogen bonds and weak C-H...O interactions.

  10. Acute environmental toxicity and persistence of methyl salicylate: A chemical agent simulant. Final report

    SciTech Connect (OSTI)

    Cataldo, D.A.; Ligotke, M.W.; Harvey, S.D.; Fellows, R.J.; Li, S.W.

    1994-06-01

    The interactions of methyl salicylate with plant foliage and soils were assessed using aerosol/vapor exposure methods. Measurements of deposition velocity and residence times for soils and foliar surfaces are reported. Severe plant contact toxicity was observed at foliar mass-loading levels above 4 {mu}g/cm{sup 2} leaf; however, recovery was noted after four to fourteen days. Methyl salicylate has a short-term effect on soil dehydrogenase activity, but not phosphatase activity. Results of the earthworm bioassay indicated only minimal effects on survival.

  11. Hydrogen-terminated silicon nanowire photocatalysis: Benzene oxidation and methyl red decomposition

    SciTech Connect (OSTI)

    Lian, Suoyuan; School of Chemical Engineering and Materials, Dalian Polytechnic University, Dalian 116034 ; Tsang, Chi Him A.; Centre of Super Diamond and Advanced Films, City University of Hong Kong, Hong Kong ; Kang, Zhenhui; Liu, Yang; Wong, Ningbew; Lee, Shuit-Tong; Centre of Super Diamond and Advanced Films, City University of Hong Kong, Hong Kong

    2011-12-15

    Graphical abstract: H-SiNWs can catalyze hydroxylation of benzene and degradation of methyl red under visible light irradiation. Highlights: Black-Right-Pointing-Pointer Hydrogen-terminated silicon nanowires were active photocatalyst in the hydroxylation of benzene under light. Black-Right-Pointing-Pointer Hydrogen-terminated silicon nanowires were also effective in the decomposition of methyl red dye. Black-Right-Pointing-Pointer The Si/SiO{sub x} core-shell structure is the main reason of the obtained high selectivity during the hydroxylation. -- Abstract: Hydrogen-terminated silicon nanowires (H-SiNWs) were used as heterogeneous photocatalysts for the hydroxylation of benzene and for the decomposition of methyl red under visible light irradiation. The above reactions were monitored by GC-MS and UV-Vis spectrophotometry, respectively, which shows 100% selectivity for the transformation of benzene to phenol. A complete decomposition of a 2 Multiplication-Sign 10{sup -4} M methyl red solution was achieved within 30 min. The high selectivity for the hydroxylation of benzene and the photodecomposition demonstrate the catalytic activity of ultrafine H-SiNWs during nanocatalysis.

  12. Impaired methylation as a novel mechanism for proteasome suppression in liver cells

    SciTech Connect (OSTI)

    Osna, Natalia A.; White, Ronda L.; Donohue, Terrence M.; Department of Internal Medicine, University of Nebraska Medical Center, Omaha, NE 68105 ; Beard, Michael R.; Tuma, Dean J.; Kharbanda, Kusum K.; Department of Internal Medicine, University of Nebraska Medical Center, Omaha, NE 68105

    2010-01-08

    The proteasome is a multi-catalytic protein degradation enzyme that is regulated by ethanol-induced oxidative stress; such suppression is attributed to CYP2E1-generated metabolites. However, under certain conditions, it appears that in addition to oxidative stress, other mechanisms are also involved in proteasome regulation. This study investigated whether impaired protein methylation that occurs during exposure of liver cells to ethanol, may contribute to suppression of proteasome activity. We measured the chymotrypsin-like proteasome activity in Huh7CYP cells, hepatocytes, liver cytosols and nuclear extracts or purified 20S proteasome under conditions that maintain or prevent protein methylation. Reduction of proteasome activity of hepatoma cell and hepatocytes by ethanol or tubercidin was prevented by simultaneous treatment with S-adenosylmethionine (SAM). Moreover, the tubercidin-induced decline in proteasome activity occurred in both nuclear and cytosolic fractions. In vitro exposure of cell cytosolic fractions or highly purified 20S proteasome to low SAM:S-adenosylhomocysteine (SAH) ratios in the buffer also suppressed proteasome function, indicating that one or more methyltransferase(s) may be associated with proteasomal subunits. Immunoblotting a purified 20S rabbit red cell proteasome preparation using methyl lysine-specific antibodies revealed a 25 kDa proteasome subunit that showed positive reactivity with anti-methyl lysine. This reactivity was modified when 20S proteasome was exposed to differential SAM:SAH ratios. We conclude that impaired methylation of proteasome subunits suppressed proteasome activity in liver cells indicating an additional, yet novel mechanism of proteasome activity regulation by ethanol.

  13. Proximal impact deposits at the Cretaceous-Tertiary boundary in the Gulf of Mexico: A restudy of DSDP Leg 77 Sites 536 and 540

    SciTech Connect (OSTI)

    Alvarez, W.; Asaro, F. ); Smit, J. ); Lowrie, W. ); Asaro, F. ); Margolis, S.V.; Claeys, P. ); Kastner, M. ); Hildebrand, A.R. )

    1992-08-01

    Restudy of Deep Sea Drilling Project Sites 536 and 540 in the southeast Gulf of Mexico gives evidence for a giant wave at Cretaceous-Tertiary boundary time. Five units are recognized: (1) Cenomanian limestone underlies a hiatus in which the five highest Cretaceous stages are missing, possibly because of catastrophic K-T erosion. (2) Pebbly mudstone, 45 m thick, represents a submarine landslide possibly of K-T age. (3) Current-bedded sandstone, more than 2.5 m thick, contains anomalous iridium, tektite glass, and shocked quartz; it is interpreted as ejecta from a nearby impact crater, reworked on the deep-sea floor by the resulting tsunami. (4) A 50-cm interval of calcareous mudstone containing small Cretaceous planktic foraminifera and the Ir peak is interpreted as the silt-size fraction of the Cretaceous material suspended by the impact-generated wave. (5) Calcareous mudstone with basal Tertiary forams and the uppermost tail of the Ir anomaly overlies the disturbed interval, dating the impact and wave event as K-T boundary age. Like Beloc in Haiti and Mimbral in Mexico, Sites 536 and 540 are consistent with a large K-T age impact at the nearby Chicxulub crater.

  14. Sub-crop geologic map of pre-Tertiary rocks in the Yucca Flat and northern Frenchman Flat areas, Nevada Test Site, southern Nevada

    SciTech Connect (OSTI)

    Cole, J.C.; Harris, A.G.; Wahl, R.R.

    1997-10-02

    This map displays interpreted structural and stratigraphic relations among the Paleozoic and older rocks of the Nevada Test Site region beneath the Miocene volcanic rocks and younger alluvium in the Yucca Flat and northern Frenchman Flat basins. These interpretations are based on a comprehensive examination and review of data for more than 77 drillholes that penetrated part of the pre-Tertiary basement beneath these post-middle Miocene structural basins. Biostratigraphic data from conodont fossils were newly obtained for 31 of these holes, and a thorough review of all prior microfossil paleontologic data is incorporated in the analysis. Subsurface relationships are interpreted in light of a revised regional geologic framework synthesized from detailed geologic mapping in the ranges surrounding Yucca Flat, from comprehensive stratigraphic studies in the region, and from additional detailed field studies on and around the Nevada Test Site. All available data indicate the subsurface geology of Yucca Flat is considerably more complicated than previous interpretations have suggested. The western part of the basin, in particular, is underlain by relics of the eastward-vergent Belted Range thrust system that are folded back toward the west and thrust by local, west-vergent contractional structures of the CP thrust system. Field evidence from the ranges surrounding the north end of Yucca Flat indicate that two significant strike-slip faults track southward beneath the post-middle Miocene basin fill, but their subsurface traces cannot be closely defined from the available evidence. In contrast, the eastern part of the Yucca Flat basin is interpreted to be underlain by a fairly simple north-trending, broad syncline in the pre-Tertiary units. Far fewer data are available for the northern Frenchman Flat basin, but regional analysis indicates the pre-Tertiary structure there should also be relatively simple and not affected by thrusting. This new interpretation has implications for ground water flow through pre-Tertiary rocks beneath the Yucca Flat and northern Frenchman Flat areas, and has consequences for ground water modeling and model validation. Our data indicate that the Mississippian Chainman Shale is not laterally extensive confining unit in the western part of the basin because it is folded back onto itself by the convergent structures of the Belted Range and CP thrust systems. Early and Middle Paleozoic limestone and dolomite are present beneath most of both basins and, regardless of structural complications, are interpreted to form a laterally continuous and extensive carbonate aquifer. Structural culmination that marks the French Peak accommodation zone along the topographic divide between the two basins provides a lateral pathway through highly fractured rock between the volcanic aquifers of Yucca Flat and the regional carbonate aquifer. This pathway may accelerate the migration of ground-water contaminants introduced by underground nuclear testing toward discharge areas beyond the Nevada Test Site boundaries. Predictive three-dimensional models of hydrostratigraphic units and ground-water flow in the pre-Tertiary rocks of subsurface Yucca Flat are likely to be unrealistic due to the extreme structural complexities. The interpretation of hydrologic and geochemical data obtained from monitoring wells will be difficult to extrapolate through the flow system until more is known about the continuity of hydrostratigraphic units. 1 plate

  15. Spectroscopic investigation of the vibrational quasi-continuum arising from internal rotation of a methyl group

    SciTech Connect (OSTI)

    Hougen, J.T.

    1993-12-01

    The goal of this project is to use spectroscopic techniques to investigate in detail phenomena involving the vibrational quasi-continuum in a simple physical system. Acetaldehyde was chosen for the study because: (i) methyl groups have been suggested to be important promotors of intramolecular vibrational relaxation, (ii) the internal rotation of a methyl group is an easily describle large-amplitude motion, which should retain its simple character even at high levels of excitation, and (iii) the aldehyde carbonyl group offers the possibility of both vibrational and electronic probing. The present investigation of the ground electronic state has three parts: (1) understanding the {open_quotes}isolated{close_quotes} internal-rotation motion below, at, and above the top of the torsional barrier, (2) understanding in detail traditional (bond stretching and bending) vibrational fundamental and overtone states, and (3) understanding interactions involving states with multiquantum excitations of at least one of these two kinds of motion.

  16. Method of recycling lithium borate to lithium borohydride through methyl borate

    DOE Patents [OSTI]

    Filby, Evan E.

    1977-01-01

    This invention provides a method for the recycling of lithium borate to lithium borohydride which can be reacted with water to generate hydrogen for utilization as a fuel. The lithium borate by-product of the hydrogen generation reaction is reacted with hydrogen chloride and water to produce boric acid and lithium chloride. The boric acid and lithium chloride are converted to lithium borohydride through a methyl borate intermediate to complete the recycle scheme.

  17. Durability of Poly(Methyl Methacrylate) Lenses Used in Concentrating Photovoltaic Technology (Revised) (Presentation)

    SciTech Connect (OSTI)

    Miller, D. C.; Carloni, J. D.; Pankow, J. W.; Gjersing, E. L.; To, B.; Packard, C. E.; Kennedy, C. E.; Kurtz, S. R.

    2012-01-01

    Concentrating photovoltaic (CPV) technology recently gained interest based on its expected low levelized cost of electricity, high efficiency, and scalability. Many CPV systems employ Fresnel lenses composed of poly(methyl methacrylate) (PMMA) to obtain a high optical flux density on the cell. The optical and mechanical durability of these lenses, however, is not well established relative to the desired surface life of 30 years. Our research aims to quantify the expected lifetime of PMMA in key market locations (FL, AZ, and CO).

  18. Crystallization of lysozyme with (R)-, (S)- and (RS)-2-methyl-2, 4-pentanediol

    SciTech Connect (OSTI)

    Stauber, Mark; Jakoncic, Jean; Berger, Jacob; Karp, Jerome M.; Axelbaum, Ariel; Sastow, Dahniel; Buldyrev, Sergey V.; Hrnjez, Bruce J.; Asherie, Neer

    2015-03-01

    Crystallization of lysozyme with (R)-2-methyl-2, 4-pentanediol produces more ordered crystals and a higher resolution protein structure than crystallization with (S)-2-methyl-2, 4-pentanediol. The results suggest that chiral interactions with chiral additives are important in protein crystal formation. Chiral control of crystallization has ample precedent in the small-molecule world, but relatively little is known about the role of chirality in protein crystallization. In this study, lysozyme was crystallized in the presence of the chiral additive 2-methyl-2, 4-pentanediol (MPD) separately using the R and S enantiomers as well as with a racemic RS mixture. Crystals grown with (R)-MPD had the most order and produced the highest resolution protein structures. This result is consistent with the observation that in the crystals grown with (R)-MPD and (RS)-MPD the crystal contacts are made by (R)-MPD, demonstrating that there is preferential interaction between lysozyme and this enantiomer. These findings suggest that chiral interactions are important in protein crystallization.

  19. Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1.

    SciTech Connect (OSTI)

    Avvakumov, George V.; Walker, John R.; Xue, Sheng; Li, Yanjun; Duan, Shili; Bronner, Christian; Arrowsmith, Cheryl H.; Dhe-Paganon, Sirano

    2008-11-17

    Epigenetic inheritance in mammals is characterized by high-fidelity replication of CpG methylation patterns during development. UHRF1 (also known as ICBP90 in humans and Np95 in mouse) is an E3 ligase important for the maintenance of global and local DNA methylation in vivo. The preferential affinity of UHRF1 for hemi-methylated DNA over symmetrically methylated DNA by means of its SET and RING-associated (SRA) domain and its association with the maintenance DNA methyltransferase 1 (DNMT1) suggests a role in replication of the epigenetic code. Here we report the 1.7 {angstrom} crystal structure of the apo SRA domain of human UHRF1 and a 2.2 {angstrom} structure of its complex with hemi-methylated DNA, revealing a previously unknown reading mechanism for methylated CpG sites (mCpG). The SRA-DNA complex has several notable structural features including a binding pocket that accommodates the 5-methylcytosine that is flipped out of the duplex DNA. Two specialized loops reach through the resulting gap in the DNA from both the major and the minor grooves to read the other three bases of the CpG duplex. The major groove loop confers both specificity for the CpG dinucleotide and discrimination against methylation of deoxycytidine of the complementary strand. The structure, along with mutagenesis data, suggests how UHRF1 acts as a key factor for DNMT1 maintenance methylation through recognition of a fundamental unit of epigenetic inheritance, mCpG.

  20. Spatial and Functional Relationships Among Pol V-Associated loci, Pol IV-Dependent siRNAs, and Cytosine Methylation in the Arabidopsis Epigenome

    SciTech Connect (OSTI)

    Wierzbicki, A. T.; Cocklin, Ross; Mayampurath, Anoop; Lister, Ryan; Rowley, M. J.; Gregory, Brian D.; Ecker, Joseph R.; Tang, Haixu; Pikaard, Craig S.

    2012-08-15

    Multisubunit RNA polymerases IV and V (Pols IV and V) mediate RNA-directed DNA methylation and transcriptional silencing of retrotransposons and heterochromatic repeats in plants. We identified genomic sites of Pol V occupancy in parallel with siRNA deep sequencing and methylcytosine mapping, comparing wild-type plants with mutants defective for Pol IV, Pol V, or both Pols IV and V. Approximately 60% of Pol V-associated regions encompass regions of 24-nucleotide (nt) siRNA complementarity and cytosine methylation, consistent with cytosine methylation being guided by base-pairing of Pol IV-dependent siRNAs with Pol V transcripts. However, 27% of Pol V peaks do not overlap sites of 24-nt siRNA biogenesis or cytosine methylation, indicating that Pol V alone does not specify sites of cytosine methylation. Surprisingly, the number of methylated CHH motifs, a hallmark of RNA-directed de novo methylation, is similar in wild-type plants and Pol IV or Pol V mutants. In the mutants, methylation is lost at 50%-60% of the CHH sites that are methylated in the wild type but is gained at new CHH positions, primarily in pericentromeric regions. These results indicate that Pol IV and Pol V are not required for cytosine methyltransferase activity but shape the epigenome by guiding CHH methylation to specific genomic sites.

  1. The interaction of organic adsorbate vibrations with substrate lattice waves in methyl-Si(111)-(1??1)

    SciTech Connect (OSTI)

    Brown, Ryan D.; Hund, Zachary M.; Sibener, S. J.; Campi, Davide; Bernasconi, M.; OLeary, Leslie E.; Lewis, Nathan S.; Benedek, G.

    2014-07-14

    A combined helium atom scattering and density functional perturbation theory study has been performed to elucidate the surface phonon dispersion relations for both the CH{sub 3}-Si(111)-(1??1) and CD{sub 3}-Si(111)-(1??1) surfaces. The combination of experimental and theoretical methods has allowed characterization of the interactions between the low energy vibrations of the adsorbate and the lattice waves of the underlying substrate, as well as characterization of the interactions between neighboring methyl groups, across the entire wavevector resolved vibrational energy spectrum of each system. The Rayleigh wave was found to hybridize with the surface rocking libration near the surface Brillouin zone edge at both the M{sup }-point and K{sup }-point. The calculations indicated that the range of possible energies for the potential barrier to the methyl rotation about the Si-C axis is sufficient to prevent the free rotation of the methyl groups at a room temperature interface. The density functional perturbation theory calculations revealed several other surface phonons that experienced mode-splitting arising from the mutual interaction of adjacent methyl groups. The theory identified a Lucas pair that exists just below the silicon optical bands. For both the CH{sub 3}- and CD{sub 3}-terminated Si(111) surfaces, the deformations of the methyl groups were examined and compared to previous experimental and theoretical work on the nature of the surface vibrations. The calculations indicated a splitting of the asymmetric deformation of the methyl group near the zone edges due to steric interactions of adjacent methyl groups. The observed shifts in vibrational energies of the -CD{sub 3} groups were consistent with the expected effect of isotopic substitution in this system.

  2. Low-lying excited states and nonradiative processes of 9-methyl-2-aminopurine

    SciTech Connect (OSTI)

    Trachsel, Maria A.; Lobsiger, Simon; Schr, Tobias; Leutwyler, Samuel

    2014-01-28

    The UV spectrum of the adenine analogue 9-methyl-2-aminopurine (9M-2AP) is investigated with one- and two-color resonant two-photon ionization spectroscopy at 0.3 and 0.05 cm{sup ?1} resolution in a supersonic jet. The electronic origin at 32252 cm{sup ?1} exhibits methyl torsional subbands that originate from the 0A{sub 1}{sup ??} (l = 0) and 1E{sup ?} (l = 1) torsional levels. These and further torsional bands that appear up to 0{sub 0}{sup 0}+230 cm{sup ?1} allow to fit the threefold (V{sub 3}) barriers of the torsional potentials as |V{sub 3}{sup ??}|=50 cm{sup ?1} in the S{sub 0} and |V{sub 3}{sup ?}|=126 cm{sup ?1} in the S{sub 1} state. Using the B3LYP density functional and correlated approximate second-order coupled cluster CC2 methods, the methyl orientation is calculated to be symmetric relative to the 2AP plane in both states, with barriers of V{sub 3}{sup ??}=20 cm{sup ?1} and V{sub 3}{sup ?}=115 cm{sup ?1}. The 0{sub 0}{sup 0} rotational band contour is 75% in-plane (a/b) polarized, characteristic for a dominantly long-axis {sup 1}??{sup *} excitation. The residual 25% c-axis polarization may indicate coupling of the {sup 1}??{sup *} to the close-lying {sup 1}n?{sup *} state, calculated at 4.00 and 4.01 eV with the CC2 method. However, the CC2 calculated {sup 1}n? oscillator strength is only 6% of that of the {sup 1}??{sup *} transition. The {sup 1}??{sup *} vibronic spectrum is very complex, showing about 40 bands within the lowest 500 cm{sup ?1}. The methyl torsion and the low-frequency out-of-plane ?{sub 1}{sup ?} and ?{sub 2}{sup ?} vibrations are strongly coupled in the {sup 1}??{sup *} state. This gives rise to many torsion-vibration combination bands built on out-of-plane fundamentals, which are without precedence in the {sup 1}??{sup *} spectrum of 9H-2-aminopurine [S. Lobsiger, R. K. Sinha, M. Trachsel, and S. Leutwyler, J. Chem. Phys. 134, 114307 (2011)]. From the Lorentzian broadening needed to fit the 0{sub 0}{sup 0} contour of 9M-2AP, the {sup 1}??{sup *} lifetime is ? ? 120 ps, reflecting a rapid nonradiative transition.

  3. Lithium cycling performance in improved lithium hexafluoroarsenate/2-Methyl tetrahydrofuran electrolytes

    SciTech Connect (OSTI)

    Desjardins, C.D.; Cadge, T.G.; Casey, E.J.; Donaldson, G.; Salter, R.S.

    1985-03-01

    Lithium hexafluoroarsenate/2-methyl tetrahydrofuran electrolytes have been prepared, purified, and evaluated using half-cell galvanostatic lithium cycling, cyclic voltammetry, plus colorimetric, gas chromatographic, and UV absorption techniques. Superior electrolytes have been prepared yielding reproducible cycling efficiencies in excess of 97%. Static aging trials at ambient temperature clearly demonstrate deterioration in cycling performance with time. This decline in performance is related to electrolyte degradation, possibly arising from the formation of peroxides. However, studies of various battery testing regimes on 1M LiAsF/sub 6//2Me-THF electrolyte support the system' battery potential with respect to both rate capability and shelf-life characteristics.

  4. Continuous realtime radioiodine monitor employing on-line methyl iodide conversion

    SciTech Connect (OSTI)

    Fernandez, S.J.; Motes, B.G.

    1980-01-01

    An integrated /sup 14/C, /sup 129/I, and /sup 85/Kr monitor was proposed by Fernandez, et al. that separates /sup 129/I from /sup 85/Kr by selective permeation across thin silicone rubber membranes. Subsequent studies of the permeation of CH/sub 3/I and I/sub 2/ through silicone rubber membranes demonstrated that I/sub 2/ transport across the membranes is too slow to be useful in a realtime monitor. Transport of methyl iodide, however, is rapid and gives a separation factor of greater than 100 from /sup 85/Kr.

  5. Theory of long-lived nuclear spin states in methyl groups and quantum-rotor induced polarisation

    SciTech Connect (OSTI)

    Dumez, Jean-Nicolas; Håkansson, Pär; Mamone, Salvatore; Meier, Benno; Stevanato, Gabriele; Hill-Cousins, Joseph T.; Roy, Soumya Singha; Brown, Richard C. D.; Pileio, Giuseppe; Levitt, Malcolm H.

    2015-01-28

    Long-lived nuclear spin states have a relaxation time much longer than the longitudinal relaxation time T{sub 1}. Long-lived states extend significantly the time scales that may be probed with magnetic resonance, with possible applications to transport and binding studies, and to hyperpolarised imaging. Rapidly rotating methyl groups in solution may support a long-lived state, consisting of a population imbalance between states of different spin exchange symmetries. Here, we expand the formalism for describing the behaviour of long-lived nuclear spin states in methyl groups, with special attention to the hyperpolarisation effects observed in {sup 13}CH{sub 3} groups upon rapidly converting a material with low-barrier methyl rotation from the cryogenic solid state to a room-temperature solution [M. Icker and S. Berger, J. Magn. Reson. 219, 1 (2012)]. We analyse the relaxation properties of methyl long-lived states using semi-classical relaxation theory. Numerical simulations are supplemented with a spherical-tensor analysis, which captures the essential properties of methyl long-lived states.

  6. Autoignition measurements and a validated kinetic model for the biodiesel surrogate, methyl butanoate

    SciTech Connect (OSTI)

    Dooley, S.; Curran, H.J.; Simmie, J.M.

    2008-04-15

    The autoignition of methyl butanoate has been studied at 1 and 4 atm in a shock tube over the temperature range 1250-1760 K at equivalence ratios of 1.5, 1.0, 0.5, and 0.25 at fuel concentrations of 1.0 and 1.5%. These measurements are complemented by autoignition data from a rapid compression machine over the temperature range 640-949 K at compressed gas pressures of 10, 20, and 40 atm and at varying equivalence ratios of 1.0, 0.5, and 0.33 using fuel concentrations of 1.59 and 3.13%. The autoignition of methyl butanoate is observed to follow Arrhenius-like temperature dependence over all conditions studied. These data, together with speciation data reported in the literature in a flow reactor, a jet-stirred reactor, and an opposed-flow diffusion flame, were used to produce a detailed chemical kinetic model. It was found that the model correctly simulated the effect of change in equivalence ratio, fuel fraction, and pressure for shock tube ignition delays. The agreement with rapid compression machine ignition delays is less accurate, although the qualitative agreement is reasonable. The model reproduces most speciation data with good accuracy. In addition, the important reaction pathways over each regime have been elucidated by both sensitivity and flux analyses. (author)

  7. Arbuzov rearrangement in alkoxy derivatives and chloro derivatives of methyl phosphonites

    SciTech Connect (OSTI)

    Livantsov, M.V.; Prishchenko, A.A.; Lutsenko, I.F.

    1987-10-20

    In a series of alkoxy- and chloro-substituted methyl phosphonites, the Arbuzov reaction is a preparative method for the synthesis of new types of functionally substituted methyl phosphinates. The Arbuzov reaction takes a new pathway in the case of dialkoxymethyl phosphonites, in which the phosphorus-carbon bond is ruptured at the stage where a quasiphosphonium compound forms, producing alkoxycarbonyl phosphonites that have not been available before. The IR spectra were obtained on UR-20 and IKS-22 instruments in a thin layer (NaCL). The PMR spectra were taken on a Tesla BS-497 spectrometer (100 MHz) in C/sub 6/D/sub 6/ and CDCl/sub 3/ solutions (20 to 30% concn.), with TMS as standard. The /sup 13/C NMR spectrum of phosphonite (XI) was obtained on a Varian FT-80A spectrometer (20 MHz) in an 80% solution in C/sub 6/D/sub 6/ and with TMS as standard. The /sup 31/P NMR spectra were obtained on JEOL 6-50OHL (24.3 MHz), Varian FT-80A (32.2 MHz), and JOEL FX-100 (42 MHz) spectrometers with an 85% solution of H/sub 3/PO/sub 4/ in D/sub 2/O as standard.

  8. Dipole Alignment at the Carbon Nanotube and Methyl Ammonium Lead Iodide Perovskite Interface

    SciTech Connect (OSTI)

    Przepioski, Joshua

    2015-08-28

    This work correlates resonant peaks from first principles calculation on ammonia (NH3) Nitrogen 1s x-ray absorption spectroscopy (XAS) within the methyl ammonium lead iodide perovskite (CH3NH3PbI3), and proposes a curve to determine the alignment of the methyl ammonium dipole if there exists angular dependence. The Nitrogen 1s XAS was performed at varying incident angles on the perovskite with and without a carbon nanotube (CNT) interface produced from an ultrasonic spray deposition. We investigated the peak contribution from PbI2 and the poly(9,9-dioctylfluorene- 2,7-diyl) with bipyridine (PFO-BPy) wrapped around the CNT, and used normalization techniques to better identify the dipole alignment. There was angular dependence on samples containing the CNT interface suggesting an existing dipole alignment, but there was no angular dependence on the perovskite samples alone; however, more normalization techniques and experimental work must be performed in order to ensure its validity and to better describe its alignment, and possible controlling factors.

  9. Production of FAME biodiesel in E. coli by direct methylation with an insect enzyme

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sherkhanov, Saken; Korman, Tyler P.; Clarke, Steven G.; Bowie, James U.

    2016-04-07

    Here, most biodiesel currently in use consists of fatty acid methyl esters (FAMEs) produced by transesterification of plant oils with methanol. To reduce competition with food supplies, it would be desirable to directly produce biodiesel in microorganisms. To date, the most effective pathway for the production of biodiesel in bacteria yields fatty acid ethyl esters (FAEEs) at up to ~1.5 g/L. A much simpler route to biodiesel produces FAMEs by direct S-adenosyl-L-methionine (SAM) dependent methylation of free fatty acids, but FAME production by this route has been limited to only ~16 mg/L. Here we employ an alternative, broad spectrum methyltransferase,more » Drosophila melanogaster Juvenile Hormone Acid O-Methyltransferase (DmJHAMT). By introducing DmJHAMT in E. coli engineered to produce medium chain fatty acids and overproduce SAM, we obtain medium chain FAMEs at titers of 0.56 g/L, a 35-fold increase over titers previously achieved. Although considerable improvements will be needed for viable bacterial production of FAMEs and FAEEs for biofuels, it may be easier to optimize and transport the FAME production pathway to other microorganisms because it involves fewer enzymes.« less

  10. Covalent Coupling of Organophosphorus Hydrolase Loaded Quantum Dots to Carbon Nanotube/Au Nanocomposite for Enhanced Detection of Methyl Parathion

    SciTech Connect (OSTI)

    Du, Dan; Chen, Wenjuan; Zhang, Weiying; Liu, Deli; Li, Haibing; Lin, Yuehe

    2010-02-15

    An amperometric biosensor for highly selective and sensitive determination of methyl parathion (MP) was developed based on dual signal amplification: (1) a large amount of introduced enzyme on the electrode surface and (2) synergistic effects of nanoparticles towards enzymatic catalysis. The fabrication process includes (1) electrochemical deposition of gold nanoparticles by a multi-potential step technique at multiwalled carbon nanotube (MWCNT) film pre-cast on a glassy carbon electrode and (2) immobilization of methyl parathion degrading enzyme (MPDE) onto a modified electrode through CdTe quantum dots (CdTe QDs) covalent attachment. The introduced MWCNT and gold nanoparticles significantly increased the surface area and exhibited synergistic effects towards enzymatic catalysis. CdTe QDs are further used as carriers to load a large amount of enzyme. As a result of these two important enhancement factors, the proposed biosensor exhibited extremely sensitive, perfectly selective, and rapid response to methyl parathion in the absence of a mediator.

  11. Factors controlling reservoir quality in tertiary sandstones and their significance to geopressured geothermal production. Annual report, May 1, 1979-May 31, 1980

    SciTech Connect (OSTI)

    Loucks, R.G.; Richmann, D.L.; Milliken, K.L.

    1980-07-01

    Differing extents of diagenetic modification is the factor primarily responsible for contrasting regional reservoir quality of Tertiary sandstones from the Upper and Lower Texas Gulf Coast. Detailed comparison of Frio sandstones from the Chocolate Bayou/Danbury Dome area, Brazoria County, and Vicksburg sandstones from the McAllen Ranch Field area, Hidalgo County, reveals that extent of diagenetic modification is most strongly influenced by (1) detrital mineralogy and (2) regional geothermal gradients. Vicksburg sandstones from the McAllen Ranch Field area are less stable, chemically and mechanically, than Frio sandstones from the Chocolate Bayou/Danbury dome area. Vicksburg sandstones are mineralogically immature and contain greater proportions of feldspars and rock fragments than do Frio sandstones. Thr reactive detrital assemblage of Vicksubrg sandstones is highly susceptible to diagenetic modification. Susceptibility is enhanced by higher than normal geothermal gradients in the McAllen Ranch Field area. Thus, consolidation of Vicksburg sandstones began at shallower depth of burial and precipitation of authigenic phases (especially calcite) was more pervasive than in Frio sandstones. Moreover, the late-stage episode of ferroan calcite precipitation that occluded most secondary porosity in Vicksburg sandstones did not occur significantly in Frio sandstones. Therefore, regional reservoir quality of Frio sandstones from Brazoria County is far better than that characterizing Vicksburg sandstones from Hidalgo County, especially at depths suitable for geopressured geothermal energy production.

  12. Assessment of thermal evolution stages and oil-gas migration of carbonate source rocks of early tertiary in eastern Sichuan, China, by organic inclusion analysis

    SciTech Connect (OSTI)

    Shi Jixi; Li Benchao; Fu Jiamo

    1989-03-01

    The Jialinjiang Formation of early Tertiary in Sichuan, China, is a series of limestone and dolomite sediments deposited in a platform shoal environment. The diagenetic sequence and organic inclusions trapped in minerals of 95 samples from 20 drillings have been studied. At the late diagenetic stage, pale yellow organic inclusions consisted of liquid hydrocarbons disseminated in pore-infiltrating dolomite, and the homogeneous temperature of contemporaneous saline liquid inclusions possessing a low gas-liquid ratio was 86/degree/C. This indicates the evolution of the organic matter had gone over the oil generating threshold and oil formation had initiated. In the limestone formed at the late diagenetic stage, more brown-yellow organic inclusions were scattered and/or developed along with fissures, comprising 60-70% liquid hydrocarbons and 30-40% gaseous hydrocarbons. Contemporaneous saline liquid inclusions with gas-liquid ratios of 5-10% had homogeneous temperatures of 90/degree/-130/degree/C. These findings show that the organic material had entered a high evolution stage and oil migration had taken place on a large scale.

  13. Reactions of methyl groups on a non-reducible metal oxide: The reaction of iodomethane on stoichiometric α-Cr2O3(0001)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dong, Yujung; Brooks, John D.; Chen, Tsung-Liang; Mullins, David R.; Cox, David F.

    2015-06-10

    The reaction of iodomethane on the nearly stoichiometric α-Cr2O3(0001) surface produces gas phase ethylene, methane, and surface iodine adatoms. The reaction is first initiated by the dissociation of iodomethane into surface methyl fragments, -CH3, and iodine adatoms. Methyl fragments bound at surface Cr cation sites undergo a rate-limiting dehydrogenation reaction to methylene, =CH2. The methylene intermediates formed from methyl dehydrogenation can then undergo coupling reactions to produce ethylene via two principle reaction pathways: (1) direct coupling of methylene and (2) methylene insertion into the methyl surface bond to form surface ethyl groups which undergo β-H elimination to produce ethylene. Themore » liberated hydrogen also combines with methyl groups to form methane. Iodine adatoms from the dissociation of iodomethane deactivate the surface by simple site blocking of the surface Cr3+ cations.« less

  14. Reactions of methyl groups on a non-reducible metal oxide: The reaction of iodomethane on stoichiometric ?-Cr2O3(0001)

    SciTech Connect (OSTI)

    Dong, Yujung; Brooks, John D.; Chen, Tsung-Liang; Mullins, David R.; Cox, David F.

    2015-06-10

    The reaction of iodomethane on the nearly stoichiometric ?-Cr2O3(0001) surface produces gas phase ethylene, methane, and surface iodine adatoms. The reaction is first initiated by the dissociation of iodomethane into surface methyl fragments, -CH3, and iodine adatoms. Methyl fragments bound at surface Cr cation sites undergo a rate-limiting dehydrogenation reaction to methylene, =CH2. The methylene intermediates formed from methyl dehydrogenation can then undergo coupling reactions to produce ethylene via two principle reaction pathways: (1) direct coupling of methylene and (2) methylene insertion into the methyl surface bond to form surface ethyl groups which undergo ?-H elimination to produce ethylene. The liberated hydrogen also combines with methyl groups to form methane. Iodine adatoms from the dissociation of iodomethane deactivate the surface by simple site blocking of the surface Cr3+ cations.

  15. Generation kinetics of color centers in irradiated poly(4-methyl-1-pentene)

    SciTech Connect (OSTI)

    Peng, J. S.; Li, C. L.; Lee, Sanboh; Chou, K. F.

    2011-09-15

    The transient absorbance of poly(4-methyl-1-pentene) (PMP) irradiated with gamma rays at elevated temperatures has been investigated. The absorbance in the ultraviolet and visible range increases with gamma ray dose. A bathochromic shift in transmission spectra emerges significantly upon irradiation. A first-order generation model is proposed to analyze the kinetics of color centers during annealing. The activation energy of the color center increases with increasing gamma ray dose. The equilibrium behavior of color centers in PMP is similar to that of vacancies in metals, and the formation energy of color centers in PMP decreases with increasing gamma ray dose. However, annealable color centers are not observed in this study.

  16. Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

    SciTech Connect (OSTI)

    Mao, James X.; Lee, Anita S.; Kitchin, John R.; Nulwala, Hunaid B; Luebke, David R.; Damodaran, Krishnan

    2013-04-24

    Density Functional Theory is used to investigate a weakly coordinating room-temperature ionic liquid, 1-ethyl-3-methyl imidazolium tetracyanoborate ([Emim]{sup +}[TCB]{sup -}). Four locally stable conformers of the ion pair were located. Atoms-in-molecules (AIM) and electron density analysis indicated the existence of several hydrogen bonds. Further investigation through the Natural Bond Orbital (NBO) and Natural Energy Decomposition Analysis (NEDA) calculations provided insight into the origin of interactions in the [Emim]{sup +}[TCB]{sup -} ion pair. Strength of molecular interactions in the ionic liquid was correlated with frequency shifts of the characteristic vibrations of the ion pair. Harmonic vibrations of the ion pair were also compared with the experimental Raman and Infrared spectra. Vibrational frequencies were assigned by visualizing displacements of atoms around their equilibrium positions and through Potential Energy Distribution (PED) analysis.

  17. Heterogeneous catalyst for the production of acetic anhydride from methyl acetate

    DOE Patents [OSTI]

    Ramprasad, D.; Waller, F.J.

    1999-04-06

    This invention relates to a process for producing acetic anhydride by the reaction of methyl acetate, carbon monoxide, and hydrogen at elevated temperatures and pressures in the presence of an alkyl halide and a heterogeneous, bifunctional catalyst that contains an insoluble polymer having pendant quaternized phosphine groups, some of which phosphine groups are ionically bonded to anionic Group VIII metal complexes, the remainder of the phosphine groups being bonded to iodide. In contrast to prior art processes, no accelerator (promoter) is necessary to achieve the catalytic reaction and the products are easily separated from the catalyst by filtration. The catalyst can be recycled for consecutive runs without loss in activity. Bifunctional catalysts for use in carbonylating dimethyl ether are also provided.

  18. Interfacial hydrothermal synthesis of SnO{sub 2} nanorods towards photocatalytic degradation of methyl orange

    SciTech Connect (OSTI)

    Hou, L.R. Lian, L.; Zhou, L.; Zhang, L.H.; Yuan, C.Z.

    2014-12-15

    Highlights: Efficient interfacial hydrothermal strategy was developed. 1D SnO{sub 2} nanorods as an advanced photocatalyst. SnO{sub 2} nanorods exhibit photocatalytic degradation of the MO. - Abstract: One-dimensional (1D) SnO{sub 2} nanorods (NRs) have been successfully synthesized by means of an efficient interfacial hydrothermal strategy. The resulting product was physically characterized by X-ray powder diffraction, scanning electron microscopy, transmission electron microscope, etc. The as-fabricated SnO{sub 2} NRs exhibited excellent photocatalytic degradation of the methyl orange with high degradation efficiency of 99.3% with only 60 min ultra violet light irradiation. Meanwhile, the 1D SnO{sub 2} NRs exhibited intriguing photostability after four recycles.

  19. Investigation of methyl decanoate combustion in an optical direct-injection diesel engine

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Cheng, A. S.; Dumitrescu, Cosmin E.; Mueller, Charles J.

    2014-11-24

    In this study, an optically accessible heavy-duty diesel engine was used to investigate the impact of methyl decanoate (MD) on combustion and emissions. A specific goal of the study was to determine if MD could enable soot-free leaner-lifted flame combustion (LLFC) – a mode of mixing-controlled combustion associated with fuel-air equivalence ratios below approximately two. An ultra-low sulfur diesel certification fuel (CF) was used as the baseline fuel, and experiments were conducted at two fuel-injection pressures with three levels of charge-gas dilution. In addition to conventional pressure-based and engine-out emissions measurements, exhaust laser-induced incandescence, in-cylinder natural luminosity (NL), and in-cylindermore » chemiluminescence (CL) diagnostics were used to provide detailed insight into combustion processes.« less

  20. Investigation of methyl decanoate combustion in an optical direct-injection diesel engine

    SciTech Connect (OSTI)

    Cheng, A. S.; Dumitrescu, Cosmin E.; Mueller, Charles J.

    2014-11-24

    In this study, an optically accessible heavy-duty diesel engine was used to investigate the impact of methyl decanoate (MD) on combustion and emissions. A specific goal of the study was to determine if MD could enable soot-free leaner-lifted flame combustion (LLFC) – a mode of mixing-controlled combustion associated with fuel-air equivalence ratios below approximately two. An ultra-low sulfur diesel certification fuel (CF) was used as the baseline fuel, and experiments were conducted at two fuel-injection pressures with three levels of charge-gas dilution. In addition to conventional pressure-based and engine-out emissions measurements, exhaust laser-induced incandescence, in-cylinder natural luminosity (NL), and in-cylinder chemiluminescence (CL) diagnostics were used to provide detailed insight into combustion processes.

  1. Crystallization of lysozyme with (R)-, (S)- and (RS)-2-methyl-2,4-pentanediol

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Stauber, Mark; Jakoncic, Jean; Berger, Jacob; Karp, Jerome M.; Axelbaum, Ariel; Sastow, Dahniel; Buldyrev, Sergey V.; Hrnjez, Bruce J.; Asherie, Neer

    2015-03-01

    Chiral control of crystallization has ample precedent in the small-molecule world, but relatively little is known about the role of chirality in protein crystallization. In this study, lysozyme was crystallized in the presence of the chiral additive 2-methyl-2,4-pentanediol (MPD) separately using the R and S enantiomers as well as with a racemic RS mixture. Crystals grown with (R)-MPD had the most order and produced the highest resolution protein structures. This result is consistent with the observation that in the crystals grown with (R)-MPD and (RS)-MPD the crystal contacts are made by (R)-MPD, demonstrating that there is preferential interaction between lysozymemore » and this enantiomer. These findings suggest that chiral interactions are important in protein crystallization.« less

  2. Mesoscale simulation of shocked poly-(4-methyl-1-pentene) (PMP) foams.

    SciTech Connect (OSTI)

    Schroen, Diana Grace; Flicker, Dawn G.; Haill, Thomas A.; Root, Seth; Mattsson, Thomas Kjell Rene

    2011-06-01

    Hydrocarbon foams are commonly used in HEDP experiments, and are subject to shock compression from tens to hundreds of GPa. Modeling foams is challenging due to the heterogeneous character of the foam. A quantitative understanding of foams under strong dynamic compression is sought. We use Sandia's ALEGRA-MHD code to simulate 3D mesoscale models of pure poly(4-methyl-1-petene) (PMP) foams. We employ two models of the initial polymer-void structure of the foam and analyze the statistical properties of the initial and shocked states. We compare the simulations to multi-Mbar shock experiments at various initial foam densities and flyer impact velocities. Scatter in the experimental data may be a consequence of the initial foam inhomogeneity. We compare the statistical properties the simulations with the scatter in the experimental data.

  3. Heterogeneous catalyst for the production of acetic anhydride from methyl acetate

    DOE Patents [OSTI]

    Ramprasad, Dorai (Allentown, PA); Waller, Francis Joseph (Allentown, PA)

    1999-01-01

    This invention relates to a process for producing acetic anhydride by the reaction of methyl acetate, carbon monoxide, and hydrogen at elevated temperatures and pressures in the presence of an alkyl halide and a heterogeneous, bifunctional catalyst that contains an insoluble polymer having pendant quaternized phosphine groups, some of which phosphine groups are ionically bonded to anionic Group VIII metal complexes, the remainder of the phosphine groups being bonded to iodide. In contrast to prior art processes, no accelerator (promoter) is necessary to achieve the catalytic reaction and the products are easily separated from the catalyst by filtration. The catalyst can be recycled for consecutive runs without loss in activity. Bifunctional catalysts for use in carbonylating dimethyl ether are also provided.

  4. Methyl Chloride from Direct Methane Partial Oxidation: A High-Temperature Shilov-Like Catalytic System

    SciTech Connect (OSTI)

    Yongchun Tang; John Ma

    2012-03-23

    The intention of this study is to demonstrate and evaluate the scientific and economic feasibility of using special solvents to improve the thermal stability of Pt-catalyst in the Shilov system, such that a high reaction temperature could be achieved. The higher conversion rate (near 100%) of methyl chloride from partial oxidation of methane under the high temperature ({approx} 200 C) without significant Pt0 precipitation has been achieved. High concentration of the Cl- ion has been identified as the key for the stabilization of the Pt-catalysts. H/D exchange measurements indicated that the over oxidation will occur at the elevated temperature, developments of the effective product separation processes will be necessary in order to rationalize the industry-visible CH4 to CH3Cl conversion.

  5. Homogeneous Hydrogenation of CO? to Methyl Formate Utilizing Switchable Ionic Liquids

    SciTech Connect (OSTI)

    Yadav, Mahendra; Linehan, John C.; Karkamkar, Abhijeet J.; Van Der Eide, Edwin F.; Heldebrant, David J.

    2014-09-15

    Capture of CO? and subsequent hydrogenation allows for base/alcohol-catalyzed conversion of CO? to methylformate in one pot. The conversion of CO? proceeds via alkylcarbonates, to formate salts and then formate esters, which can be catalyzed by base and alcohol with the only byproduct being water. The system operates at mild conditions (300 psi H?, 140 C). Reactivity is strongly influenced by temperature and choice of solvent. In the presence of excess of base (DBU) formate is predominant product while in excess of methanol methyl formate is major product. 110 C yields formate salts, 140 C promotes methylformate. The authors acknowledge internal Laboratory Directed Re-search and Development (LDRD) funding from Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the U.S. Department of Energy.

  6. Enantioselective hydrogenation. III. Methyl pyruvate hydrogenation catalyzed by alkaloid-modified iridium

    SciTech Connect (OSTI)

    Simons, K.E.; Johnston, P.; Plum, H.; Wells, P.B.; Ibbotson, A.

    1994-12-01

    Enantioselective hydrogenation of methyl pyruvate, MeCOCOOMe to methyl lactate, MeCH(OH)COOMe, is catalyzed in solution at room temperature by supported iridium catalysts modified with cinchona alkaloids. Modification with cinchonidine or quinine yields R-lactate in excess, whereas modification with cinchonine or quinidine favors S-lactate formation. Ir/SiO{sub 2} catalysts (20%) calcined at 393 to 573 K and reduced at 523 to 593 K were highly active for racemic hydrogenation in the absence of a modifier (rates typically 1.8 mol h{sup -1} g{sub cat}{sup -1}) and were comparably active when modified with cinchonidine but gave an enantiomeric excess of about 30%. Use of higher calcination or reduction temperatures led to substantially inferior activity and selectivity. The high rates recorded for both racemic and enantioselective reactions are dependent on the catalysts being activated before use by a procedure involving exposure of the catalyst to air after the initial reduction. Use of a Cl-free precursor gave an Ir/SiO{sub 2} catalyst (20%) of superior activity but inferior enantioselectivity. Ir/CaCO{sub 3} (5%) was more active for racemic hydrogenation than for enantioselective hydrogenation, but provided the highest value of the enantiomeric excess 39%. Kinematics of reaction are reported. Exchange of H for D in 10,11-dihydrocinchonidine at room temperature over Ir/CaCO{sub 3} occurred in the quinoline moiety but not in the quinuclidine ring system, indicating that the alkaloid was adsorbed to the Ir surface via the interaction of its {pi}-electron system. For both silica-supported and calcium carbonate-supported Ir, the presence of chloride ion in the catalyst was advantageous for the achievement of enantioselectivity. 25 refs., 2 figs., 3 tabs.

  7. Insights antifibrotic mechanism of methyl palmitate: Impact on nuclear factor kappa B and proinflammatory cytokines

    SciTech Connect (OSTI)

    Mantawy, Eman M.; Tadros, Mariane G.; Awad, Azza S.; Hassan, Dina A.A.; El-Demerdash, Ebtehal

    2012-01-01

    Fibrosis accompanies most chronic liver disorders and is a major factor contributing to hepatic failure. Therefore, the need for an effective treatment is evident. The present study was designed to assess the potential antifibrotic effect of MP and whether MP can attenuate the severity of oxidative stress and inflammatory response in chronic liver injury. Male albino rats were treated with either CCl{sub 4} (1 ml/kg, twice a week) and/or MP (300 mg/kg, three times a week) for six weeks. CCl{sub 4}-intoxication significantly increased liver weight, serum aminotransferases, total cholesterol and triglycerides while decreased albumin level and these effects were prevented by co-treatment with MP. As indicators of oxidative stress, CCl{sub 4}-intoxication caused significant glutathione depletion and lipid peroxidation while MP co-treatment preserved them within normal values. As markers of fibrosis, hydroxyproline content and ?-SMA expression increased markedly in the CCl{sub 4} group and MP prevented these alterations. Histopathological examination by both light and electron microscope further confirmed the protective efficacy of MP. To elucidate the antifibrotic mechanisms of MP, the expression of NF-?B, iNOS and COX-2 and the tissue levels of TNF-? and nitric oxide were assessed; CCl{sub 4} increased the expression of NF-?B and all downstream inflammatory cascade while MP co-treatment inhibited them. Collectively these findings indicate that MP possesses a potent antifibrotic effect which may be partly a consequence of its antioxidant and anti-inflammatory properties. -- Highlights: ? Methyl palmitate is free fatty acid methyl ester. ? It possesses a strong antifibrotic effect. ? It inhibits NF-?B and the consequent proinflammatory and oxidative stress response.

  8. NMR Analysis of Methyl Groups at 100-500 kDa: Model Systems and Arp2/3 Complex

    SciTech Connect (OSTI)

    Kreishman-Deitrick, Mara; Egile, Coumaran; Hoyt, David W.; Ford, Joseph J.; Rong, Li; Rosen, Michael K.

    2003-07-01

    Large macromolecular machines are among the most important and challenging targets for structural and mechanistic analyses. Consequently, there is great interest in development of NMR methods for the study of multicomponent systems in the 50-500 kDa range. Biochemical methods also must be developed in concert to produce such systems in selectively labeled form. Here, we present 1H/13C-HSQC spectra of protonated methyl groups in a model system that mimics molecular weights up to ~560 kDa. Signals from side chain methyl groups of Ile, Leu, and Val residues are clearly detectable at correlation times up to ~330 ns. We have also developed a biochemical procedure to produce the 240 kDa, heteroheptameric Arp2/3 actin nucleation complex selectively labeled at one subunit and obtained 1H/13C-HSQC spectra of this assembly. Sensitivity in spectra of both the Arp2/3 complex and the model system indicate that methyl groups will be useful sources of information in nonsymmetric systems with molecular weights greater than 600 kDa at concentrations less than 100 μM. Methyl analyses will complement TROSY and CRINEPT analyses of amides in NMR studies of structure and molecular interactions of extremely large macromolecules and assemblies.

  9. Determination of Total Lipids as Fatty Acid Methyl Esters (FAME) by in situ Transesterification: Laboratory Analytical Procedure (LAP)

    SciTech Connect (OSTI)

    Van Wychen, S.; Laurens, L. M. L.

    2013-12-01

    This procedure is based on a whole biomass transesterification of lipids to fatty acid methyl esters to represent an accurate reflection of the potential of microalgal biofuels. Lipids are present in many forms and play various roles within an algal cell, from cell membrane phospholipids to energy stored as triacylglycerols.

  10. M-transfer activity of MCM-41 materials in 1-hexene isomerization reactions

    SciTech Connect (OSTI)

    Dominguez, J.M.; Hernandez, F.; Terres, E.; Toledo, A.; Navarrete, J.

    1996-10-01

    The gasoline reformulation scheme includes the use of oxygenated additives MTBE (methyl-ter-butyl-ether), TAME (ter-amyl-methyl-ether), ETBE (ethyl-ter-butyl-ether) and DIPE (di-isopropyl-ether), which have the iso-olefins (i-C{sub 3}{sup =}, i-C{sub 4}{sup =}, i-C{sub 5}{sup =}) as precursors. In this respect, olefin production from FCC units must be enhanced to cover the demand. A series of new catalytic materials with lower hydrogen transfer activity could enhance the olefin yield from the FCC reactors.

  11. Photoimaging of the multiple filamentation of femtosecond laser pulses in poly(methyl methacrylate) doped with 2,2-difluoro-4-(9-anthracyl)-6-methyl-1,3,2-dioxaborine

    SciTech Connect (OSTI)

    Kulchin, Yu N; Vitrik, O B; Chekhlenok, A A; Zhizhchenko, A Yu; Proschenko, D Yu; Mirochnik, A G; Lyu Guohui

    2013-12-31

    We have studied the filamentation of femtosecond laser pulses (? = 800 nm, ?42 fs pulse duration) in poly(methyl methacrylate) doped with 2,2-difluoro-4-(9-anthracyl)-6-methyl-1,3,2- dioxaborine and the associated photomodification of the material. The results demonstrate that multiple filamentation occurs at pulse energies above 5 ?J. At a pulse energy of 1.5 mJ, it is accompanied by supercontinuum generation. The average filament length in PMMA is 9 mm and the filament diameter is ?10 ?m. An incident power density of ?10{sup 12} W cm{sup -2} ensures inscription of the filament pattern owing to two-photon photochemical processes. Preliminary exposure to continuous light at ? = 400 nm enables an ordered filament pattern to be written. (interaction of laser radiation with matter)

  12. untitled

    Gasoline and Diesel Fuel Update (EIA)

    of "other" hydrocarbons and oxygenates include hydrogen and oxygenates especially fuel ethanol and methyl tertiary butyl ether (MTBE). The adjustment is equal to the...

  13. This Week In Petroleum Printer-Friendly Version

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    this transition from Methyl Tertiary Butyl Ether (MTBE) reformulated gasoline (RFG) to ethanol RFG, since ethanol is not blended into the gasoline mixture until just before the...

  14. Fuel Ethanol Oxygenate Production

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Product: Fuel Ethanol Methyl Tertiary Butyl Ether Merchant Plants Captive Plants Period-Unit: Monthly-Thousand Barrels Monthly-Thousand Barrels per Day Annual-Thousand Barrels ...

  15. Impact of Renewable Fuels Standard/MTBE Provisions of S. 517 Requested by Sens. Daschle & Murkowski

    Reports and Publications (EIA)

    2002-01-01

    Additional analysis of the impact of the Renewable Fuels Standard (RFS) and methyl tertiary butyl ether (MTBE) ban provisions of S. 517.

  16. Motor Gasoline Market Spring 2007 and Implications for Spring...

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    began to decline, and with the transition from methyl tertiary butyl ether (MTBE) to ethanol completed and the end of the summer driving season drawing near, gasoline prices...

  17. Synthesis and properties of poly(methyl methacrylate-2-acrylamido-2-methylpropane sulfonic acid)/PbS hybrid composite

    SciTech Connect (OSTI)

    Preda, N.; Rusen, E.; Musuc, A.; Enculescu, M.; Matei, E.; Marculescu, B.; Fruth, V.; Enculescu, I.

    2010-08-15

    The synthesis of a new hybrid composite based on PbS nanoparticles and poly(methyl methacrylate-2-acrylamido-2-methylpropane sulfonic acid) [P(MMA-AMPSA)] copolymer is reported. The chemical synthesis consists in two steps: (i) a surfactant-free emulsion copolymerization between methyl methacrylate and 2-acrylamido-2-methylpropane sulfonic acid and (ii) the generation of PbS particles in the presence of the P(MMA-AMPSA) latex, from the reaction between lead nitrate and thiourea. The composite was studied by scanning electron microscopy (SEM), X-ray diffraction, FTIR spectroscopy, thermogravimetric analysis and differential scanning calorimetry. The microstructure observed using SEM proves that the PbS nanoparticles are well dispersed in the copolymer matrix. The X-ray diffraction measurements demonstrate that the PbS nanoparticles have a cubic rock salt structure. It was also found that the inorganic semiconductor nanoparticles improve the thermal stability of the copolymer matrix.

  18. On the role of chemical reactions in initiating ultraviolet laser ablation in poly(methyl methacrylate)

    SciTech Connect (OSTI)

    Prasad, Manish; Conforti, Patrick F.; Garrison, Barbara J.

    2007-05-15

    The role of chemical reactions is investigated versus the thermal and mechanical processes occurring in a polymer substrate during irradiation by a laser pulse and subsequent ablation. Molecular dynamics simulations with an embedded Monte Carlo based reaction scheme were used to study ultraviolet ablation of poly(methyl methacrylate) at 157 nm. We discuss the onset of ablation, the mechanisms leading to ablation, and the role of stress relaxation of the polymer matrix during ablation. Laser induced heating and chemical decomposition of the polymer substrate are considered as ablation pathways. It is shown that heating the substrate can set off ablation via mechanical failure of the material only for very short laser pulses. For longer pulses, the mechanism of ejection is thermally driven limited by the critical number of bonds broken in the substrate. Alternatively, if the photon energy goes towards direct bond breaking, it initiates chemical reactions, polymer unzipping, and formation of gaseous products, leading to a nearly complete decomposition of the top layers of substrates. The ejection of small molecules has a hollowing out effect on the weakly connected substrates which can lead to lift-off of larger chunks. Excessive pressure buildup upon the creation of gaseous molecules does not lead to enhanced yield. The larger clusters are thermally ejected, and an entrainment of larger polymer fragments in gaseous molecules is not observed.

  19. Phosphorylation and Methylation of Proteasomal Proteins of the HaloarcheonHaloferax volcanii

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Humbard, Matthew A.; Reuter, Christopher J.; Zuobi-Hasona, Kheir; Zhou, Guangyin; Maupin-Furlow, Julie A.

    2010-01-01

    Proteasomes are composed of 20S core particles (CPs) of?- and?-type subunits that associate with regulatory particle AAA ATPases such as the proteasome-activating nucleotidase (PAN) complexes of archaea. In this study, the roles and additional sites of post-translational modification of proteasomes were investigated using the archaeonHaloferax volcaniias a model. Indicative of phosphorylation, phosphatase-sensitive isoforms of?1and?2were detected by 2-DE immunoblot. To map these and other potential sites of post-translational modification, proteasomes were purified and analyzed by tandem mass spectrometry (MS/MS). Using this approach, several phosphosites were mapped including?1Thr147,?2 Thr13/Ser14 and PAN-A Ser340. Multiple methylation sites were also mapped to?1, thus, revealing amorenew type of proteasomal modification. Probing the biological role of?1and PAN-A phosphorylation by site-directed mutagenesis revealed dominant negative phenotypes for cell viability and/or pigmentation for?1variants including Thr147Ala, Thr158Ala and Ser58Ala. AnH. volcaniiRio1p Ser/Thr kinase homolog was purified and shown to catalyze autophosphorylation and phosphotransfer to?1. The?1variants in Thr and Ser residues that displayed dominant negative phenotypes were significantly reduced in their ability to accept phosphoryl groups from Rio1p, thus, providing an important link between cell physiology and proteasomal phosphorylation.less

  20. Electron Affinity of Phenyl-C61-Butyric Acid Methyl Ester (PCBM)

    SciTech Connect (OSTI)

    Larson, Bryon W.; Whitaker, James B.; Wang, Xue B.; Popov, Alexey A.; Rumbles, Garry; Kopidakis, Nikos; Strauss, Steven H.; Boltalina, Olga V.

    2013-07-25

    The gas-phase electron affinity (EA) of phenyl-C61-butyric acid methyl ester (PCBM), one of the best-performing electron acceptors in organic photovoltaic devices, is measured by lowtemperature photoelectron spectroscopy for the first time. The obtained value of 2.63(1) eV is only ca. 0.05 eV lower than that of C60 (2.68(1) eV), compared to a 0.09 V difference in their E1/2 values measured in this work by cyclic voltammetry. Literature E(LUMO) values for PCBM that are typically estimated from cyclic voltammetry, and commonly used as a quantitative measure of acceptor properties, are dispersed over a wide range between -4.3 and -3.62 eV; the reasons for such a huge discrepancy are analyzed here, and the protocol for reliable and consistent estimations of relative fullerene-based acceptor strength in solution is proposed.

  1. Synthesis of methyl methacrylate from coal-derived syngas: Quarterly report,, October 1-December 31, 1997

    SciTech Connect (OSTI)

    1998-09-01

    Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of three steps of synthesis of a propionate, its condensation with formaldehyde, and esterification of resulting methacrylic acid (MAA) with methanol to produce MMA. Over the last quarter, Eastman developed two new processes which have resulted in two new invention reports. One process deals with carbonylation of benzyl ether which represents a model for coal liquefaction and the second focuses on the acceleration of carbonylation rates for propionic acid synthesis, via use of polar aprotic solvents. These two inventions are major improvements in the novel Mo-catalyzed homogeneous process for propionic acid synthesis technology, developed by Eastman. Over the last quarter, RTI completed three reaction cycles and two regeneration cycles as a part of long-term reaction regeneration cycle study on a 10% Nb{sub 2}O{sub 5}/Si0{sub 2} catalyst, for vapor phase condensation reaction of formaldehyde with propionic acid.

  2. Durability of Poly(Methyl Methacrylate) Lenses Used in Concentrating Photovoltaic Modules: Preprint

    SciTech Connect (OSTI)

    Miller, D. C.; Gedvilas, L. M.; To, B.; Kennedy, C. E.; Kurtz, S. R.

    2010-08-01

    Concentrating photovoltaic (CPV) technology has recently gained interest based on their expected low levelized cost of electricity, high efficiency, and scalability. Many CPV systems use Fresnel lenses made of poly(methyl methacrylate)(PMMA) to obtain a high optical flux density. The optical and mechanical durability of such components, however, are not well established relative to the desired service life of 30 years. Specific reliability issues may include: reduced optical transmittance, discoloration, hazing, surface erosion, embrittlement, crack growth, physical aging, shape setting (warpage), and soiling. The initial results for contemporary lens- and material-specimens aged cumulatively to 6 months are presented. The study here uses an environmental chamber equipped with a xenon-arc lamp to age specimens at least 8x the nominal field rate. A broad range in the affected characteristics (including optical transmittance, yellowness index, mass loss, and contact angle) has been observed to date, depending on the formulation of PMMA used. The most affected specimens are further examined in terms of their visual appearance, surface roughness (examined via atomic force microscopy), and molecular structure (via Fourier transform infrared spectroscopy).

  3. Phosphorylation and Methylation of Proteasomal Proteins of the Haloarcheon Haloferax volcanii

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Humbard, Matthew A.; Reuter, Christopher J.; Zuobi-Hasona, Kheir; Zhou, Guangyin; Maupin-Furlow, Julie A.

    2010-01-01

    Promore » teasomes are composed of 20S core particles (CPs) of α - and β -type subunits that associate with regulatory particle AAA ATPases such as the proteasome-activating nucleotidase (PAN) complexes of archaea. In this study, the roles and additional sites of post-translational modification of proteasomes were investigated using the archaeon Haloferax volcanii as a model. Indicative of phosphorylation, phosphatase-sensitive isoforms of α 1 and α 2 were detected by 2-DE immunoblot. To map these and other potential sites of post-translational modification, proteasomes were purified and analyzed by tandem mass spectrometry (MS/MS). Using this approach, several phosphosites were mapped including α 1 Thr147, α 2 Thr13/Ser14 and PAN-A Ser340. Multiple methylation sites were also mapped to α 1 , thus, revealing a new type of proteasomal modification.bing the biological role of α 1 and PAN-A phosphorylation by site-directed mutagenesis revealed dominant negative phenotypes for cell viability and/or pigmentation for α 1 variants including Thr147Ala, Thr158Ala and Ser58Ala. An H. volcanii Rio1p Ser/Thr kinase homolog was purified and shown to catalyze autophosphorylation and phosphotransfer to α 1 . The α 1 variants in Thr and Ser residues that displayed dominant negative phenotypes were significantly reduced in their ability to accept phosphoryl groups from Rio1p, thus, providing an important link between cell physiology and proteasomal phosphorylation.« less

  4. Anti-inflammatory activity of methyl palmitate and ethyl palmitate in different experimental rat models

    SciTech Connect (OSTI)

    Saeed, Noha M.; El-Demerdash, Ebtehal; Abdel-Rahman, Hanaa M.; Algandaby, Mardi M.; Al-Abbasi, Fahad A.; Abdel-Naim, Ashraf B.

    2012-10-01

    Methyl palmitate (MP) and ethyl palmitate (EP) are naturally occurring fatty acid esters reported as inflammatory cell inhibitors. In the current study, the potential anti-inflammatory activity of MP and EP was evaluated in different experimental rat models. Results showed that MP and EP caused reduction of carrageenan-induced rat paw edema in addition to diminishing prostaglandin E2 (PGE2) level in the inflammatory exudates. In lipopolysaccharide (LPS)-induced endotoxemia in rats, MP and EP reduced plasma levels of tumor necrosis factor-? (TNF-?) and interleukin-6 (IL-6). MP and EP decreased NF-?B expression in liver and lung tissues and ameliorated histopathological changes caused by LPS. Topical application of MP and EP reduced ear edema induced by croton oil in rats. In the same animal model, MP and EP reduced neutrophil infiltration, as indicated by decreased myeloperoxidase (MPO) activity. In conclusion, this study demonstrates the effectiveness of MP and EP in combating inflammation in several experimental models. -- Highlights: ? Efficacy of MP and EP in combating inflammation was displayed in several models. ? MP and EP reduced carrageenan-induced rat paw edema and prostaglandin E2 level. ? MP and EP decreased TNF-? and IL-6 levels in experimental endotoxemia. ? MP and EP reduced NF-?B expression and histological changes in rat liver and lung. ? MP and EP reduced croton oil-induced ear edema and neutrophil infiltration.

  5. Nonpremixed ignition, laminar flame propagation, and mechanism reduction of n-butanol, iso-butanol, and methyl butanoate

    SciTech Connect (OSTI)

    Lu, Wei; Kelley, A. P.; Law, C. K.

    2011-01-01

    The non-premixed ignition temperature of n-butanol (CH{sub 3}CH{sub 2}CH{sub 2}CH{sub 2}OH), iso-butanol ((CH{sub 3}){sub 2}CHCH{sub 2}OH) and methyl butanoate (CH{sub 3}CH{sub 2}CH{sub 2}COOCH{sub 3}) was measured in a liquid pool assembly by heated oxidizer in a stagnation flow for system pressures of 1 and 3 atm. In addition, the stretch-corrected laminar flame speeds of mixtures of airn-butanol/iso-butanol/methyl butanoate were determined from the outwardly propagating spherical flame at initial pressures of up to 2 atm, for an extensive range of equivalence ratio. The ignition temperature and laminar flame speeds of n-butanol and methyl butanoate were computationally simulated with three recently developed kinetic mechanisms in the literature. Dominant reaction pathways to ignition and flame propagation were identified and discussed through a chemical explosive mode analysis (CEMA) and sensitivity analysis. The detailed models were further reduced through a series of systematic strategies. The reduced mechanisms provided excellent agreement in both homogeneous and diffusive combustion environments and greatly improved the computation efficiency.

  6. BIOENERGIZEME INFOGRAPHIC CHALLENGE: Tertiary Treatment

    Broader source: Energy.gov [DOE]

    This infographic was created by students from Nikola Tesla STEM High School in Redmond, WA, as part of the U.S. Department of Energy-BioenergizeME Infographic Challenge. The BioenergizeME...

  7. Phytoremediation of ionic and methyl mercury pollution. 1997 annual progress report

    SciTech Connect (OSTI)

    Meagher, R.B.

    1997-01-01

    'The long-term goal of this research is to manipulate single-gene traits into plants, enabling them to process heavy metals and remediate heavy-metal pollution by resistance, sequestration, removal, and management of these contaminants (Meagher and Rugh, 1996; Meagher et al., 1997). The working hypothesis behind this proposal was that transgenic plants expressing both the bacterial organo mercury lyase (merB) and the mercuric ion reductase gene (merA) will (A) remove the mercury from polluted sites and (B) prevent methyl mercury from entering the food chain. The authors have had a very successful first year either testing aspects of this hypothesis directly or preparing material needed for future experiments. The results are outlined below under goals A and B, which are explicit in this hypothesis. There were less than 10% of the funds remaining in any category as projected in the first 12 month budget at the end of the first year, with the exception of the equipment category which had 25% of the funds remaining ({approximately} $8,000). Much of this remaining equipment money is being spent this week on a mercury vapor analyzer. It might be useful to remember that at the time this grant was awarded, the authors had successfully engineered a small model plant, Arabidopsis thalianat to use a highly modified bacterial mercuric ion reductase gene, merA9, to detoxify ionic mercury (Hg(II)), reducing it to Hg(0) (Rugh et al., 1996). Seeds from these plants germinate, grow, and set seed at normal growth rates on levels of Hg(II) that are lethal to normal plants. In assays on transgenic seedlings suspended in a solution of Hg(II), 10 ng of Hg(0) was evolved per min per mg wet weight of plant tissue. However, at that time, they had no information on expression of merA in any other plant species, nor had they expressed merB in any plant.'

  8. Methyl-parathion decreases sperm function and fertilization capacity after targeting spermatocytes and maturing spermatozoa

    SciTech Connect (OSTI)

    Pina-Guzman, Belem; Sanchez-Gutierrez, M.; Marchetti, Francesco; Hernandez-Ochoa, I.; Solis-Heredia, M.J .; Quintanilla-Vega, B.

    2009-05-03

    Paternal germline exposure to organophosphorous pesticides (OP) has been associated with reproductive failures and adverse effects in the offspring. Methyl parathion (Me-Pa), a worldwide-used OP, has reproductive adverse effects and is genotoxic to sperm. Oxidative damage has been involved in the genotoxic and reproductive effects of OP. The purpose of this study was to determine the effects of Me-Pa on spermatozoa function and ability to fertilize. Male mice were exposed to Me-Pa (20 mg/kg bw, i.p.) and spermatozoa from epididymis-vas deferens were collected at 7 or 28 days post-treatment (dpt) to assess the effects on maturing spermatozoa and spermatocytes, respectively. DNA damage was evaluated by nick translation (NT-positive cells) and SCSA (percentDFI); lipoperoxidation (LPO) by malondialdehyde production; sperm function by spontaneous- and induced-acrosome reactions (AR); mitochondrial membrane potential (MMP) by using the JC-1 flurochrome; and, fertilization ability by an in vitro assay and in vivo mating. Results showed alterations in DNA integrity (percentDFI and NT-positive cells) at 7 and 28 dpt, in addition to decreased sperm quality and a decrease in induced-AR; reduced MMP and LPO was observed only at 7 dpt. We found negative correlations between LPO and all sperm alterations. Altered sperm functional parameters were associated with reduced fertilization rates at both times, evaluated either in vitro or in vivo. These results show that Me-Pa exposure of maturing spermatozoa and spermatocytes affects many sperm functional parameters that result in a decreased fertilizing capacity. Oxidative stress seems to be a likely mechanism ofthe detrimental effects of Me-Pa in male germ cells.

  9. Methyl chloride via oxyhydrochlorination of methane. Quarterly technical progress report No. 13, October--December 1994

    SciTech Connect (OSTI)

    1995-02-01

    The purpose of this contract is to develop a process for converting light alkane gases to methyl chloride via oxyhydrochlorination using highly selective, stable catalysts in fixed-bed reactors designed to remove the large amount of heat generated, so as to control the reaction temperature. Further, the objective is to obtain the engineering data base necessary for developing a commercially feasible process and to evaluate t economics of the process. Significant progress was made in six different technical areas during this quarter. These key highlights are: (1) Evaluation of catalyst samples from UCI led to the ordering of the OHC PDU catalyst batch. This catalyst batch arrived, was screened and found to be defective, and was reordered. (2) Natural gas containing higher hydrocarbons was used as a methane source. The reactant mixture formed oxygenates at temperatures lower than observed in the past. Burning at such low temperatures seems to create a product stream containing very little CH{sub 2}Cl{sub 2}. (3) Although it has not been decided if the PDU will use natural gas from the plant or methane or natural gas from cylinders as a methane feed source, it was concluded that an adsorption unit to remove sulfur and higher hydrocarbons is not necessary at this time. (4) PDU construction was completed in December. The bulk of insulation work was completed at the end of November. Much effort has been put into pressure testing the PDU`s systems. The startup team has become adept at finding and correcting such leaks. (5) SOP writing for the PDU was completed this quarter with communication with the software programmer to insure agreement between the software and SOP.

  10. Methyl Formate Oxidation: Speciation Data, Laminar Burning Velocities, Ignition Delay Times and a Validated Chemical Kinetic Model

    SciTech Connect (OSTI)

    Dooley, S.; Burke, M. P.; Chaos, M.; Stein, Y.; Dryer, F. L.; Zhukov, V. P.; Finch, O.; Simmie, J. M.; Curran, H. J.

    2010-07-16

    The oxidation of methyl formate (CH{sub 3}OCHO) has been studied in three experimental environments over a range of applied combustion relevant conditions: 1. A variable-pressure flow reactor has been used to quantify reactant, major intermediate and product species as a function of residence time at 3 atm and 0.5% fuel concentration for oxygen/fuel stoichiometries of 0.5, 1.0, and 1.5 at 900 K, and for pyrolysis at 975 K. 2. Shock tube ignition delays have been determined for CH{sub 3}OCHO/O{sub 2}/Ar mixtures at pressures of ? 2.7, 5.4, and 9.2 atm and temperatures of 12751935 K for mixture compositions of 0.5% fuel (at equivalence ratios of 1.0, 2.0, and 0.5) and 2.5% fuel (at an equivalence ratio of 1.0). 3. Laminar burning velocities of outwardly propagating spherical CH{sub 3}OCHO/air flames have been determined for stoichiometries ranging from 0.81.6, at atmospheric pressure using a pressure-release-type high-pressure chamber. A detailed chemical kinetic model has been constructed, validated against, and used to interpret these experimental data. The kinetic model shows that methyl formate oxidation proceeds through concerted elimination reactions, principally forming methanol and carbon monoxide as well as through bimolecular hydrogen abstraction reactions. The relative importance of elimination versus abstraction was found to depend on the particular environment. In general, methyl formate is consumed exclusively through molecular decomposition in shock tube environments, while at flow reactor and freely propagating premixed flame conditions, there is significant competition between hydrogen abstraction and concerted elimination channels. It is suspected that in diffusion flame configurations the elimination channels contribute more significantly than in premixed environments.

  11. Using the apparent diffusion coefficient to identifying MGMT promoter methylation status early in glioblastoma: importance of analytical method

    SciTech Connect (OSTI)

    Rundle-Thiele, Dayle; Day, Bryan; Stringer, Brett; Fay, Michael; Martin, Jennifer; Jeffree, Rosalind L; Thomas, Paul; Bell, Christopher; Salvado, Olivier; Gal, Yaniv; Coulthard, Alan; Crozier, Stuart; Rose, Stephen

    2015-06-15

    Accurate knowledge of O{sup 6}-methylguanine methyltransferase (MGMT) gene promoter subtype in patients with glioblastoma (GBM) is important for treatment. However, this test is not always available. Pre-operative diffusion MRI (dMRI) can be used to probe tumour biology using the apparent diffusion coefficient (ADC); however, its ability to act as a surrogate to predict MGMT status has shown mixed results. We investigated whether this was due to variations in the method used to analyse ADC. We undertook a retrospective study of 32 patients with GBM who had MGMT status measured. Matching pre-operative MRI data were used to calculate the ADC within contrast enhancing regions of tumour. The relationship between ADC and MGMT was examined using two published ADC methods. A strong trend between a measure of ‘minimum ADC’ and methylation status was seen. An elevated minimum ADC was more likely in the methylated compared to the unmethylated MGMT group (U = 56, P = 0.0561). In contrast, utilising a two-mixture model histogram approach, a significant reduction in mean measure of the ‘low ADC’ component within the histogram was associated with an MGMT promoter methylation subtype (P < 0.0246). This study shows that within the same patient cohort, the method selected to analyse ADC measures has a significant bearing on the use of that metric as a surrogate marker of MGMT status. Thus for dMRI data to be clinically useful, consistent methods of data analysis need to be established prior to establishing any relationship with genetic or epigenetic profiling.

  12. Separation of Dimethyl Ether from Syn-Gas Components by Poly(dimethylsiloxane) and Poly(4-methyl-1-pentene) Membranes

    SciTech Connect (OSTI)

    Christopher J. Orme; Frederick F. Stewart

    2011-05-01

    Permeability and selectivity in gas transport through poly(4-methyl-1-pentene) (TPX) and poly(dimethylsiloxane) (PDMS) using variable temperature mixed gas experiments is reported. Selected gases include H2, CO, CH4, CO2, and dimethyl ether (DME). The DME data is the first to be reported through these membranes. In this paper, the chosen polymers reflect both rubbery and crystalline materials. Rubbery polymers tend to be weakly size sieving, which, in this work, has resulted in larger permeabilities, lower separation factors, and lower activation energies of permeation (Ep). Conversely, the crystalline TPX membranes showed much greater sensitivity to penetrant size; although the gas condensability also played a role in transport.

  13. Synthesis Of [2h, 13c]M [2h2m 13c], And [2h3,, 13c] Methyl Aryl Sulfones And Sulfoxides

    DOE Patents [OSTI]

    Martinez, Rodolfo A.; Alvarez, Marc A.; Silks, III, Louis A.; Unkefer, Clifford J.; Schmidt, Jurgen G.

    2004-07-20

    The present invention is directed to labeled compounds, [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2, .sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfones and [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2, .sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfoxides, wherein the .sup.13 C methyl group attached to the sulfur of the sulfone or sulfoxide includes exactly one, two or three deuterium atoms and the aryl group is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure: ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are each independently, hydrogen, a C.sub.1 -C.sub.4 lower alkyl, a halogen, an amino group from the group consisting of NH.sub.2, NHR and NRR' where R and R' are each a C.sub.1 -C.sub.4 lower alkyl, a phenyl, or an alkoxy group. The present invention is also directed to processes of preparing methyl aryl sulfones and methyl aryl sulfoxides.

  14. High optical and switching performance electrochromic devices based on a zinc oxide nanowire with poly(methyl methacrylate) gel electrolytes

    SciTech Connect (OSTI)

    Chun, Young Tea; Chu, Daping; Neeves, Matthew; Placido, Frank; Smithwick, Quinn

    2014-11-10

    High performance electrochromic devices have been fabricated and demonstrated utilizing a solid polymer electrolyte and zinc oxide (ZnO) nanowire (NW) array counter electrode. The poly(methyl methacrylate) based polymer electrolyte was spin coated upon hydrothermally grown ZnO NW array counter electrodes, while electron beam evaporated NiO{sub x} thin films formed the working electrodes. Excellent optical contrast and switching speeds were observed in the fabricated devices with active areas of 2?cm{sup 2}, exhibiting an optical contrast of 73.11% at the wavelength of 470?nm, combined with a fast switching time of 0.2 s and 0.4 s for bleaching and coloration, respectively.

  15. (E)-2-[(2-Bromophenylimino)methyl]-5-methoxyphenol: X-ray and DFT-calculated structures

    SciTech Connect (OSTI)

    Kosar, B. Albayrak, C.; Odabasoglu, M.; Bueyuekguengoer, O.

    2010-12-15

    The crystal structure of (E)-2-[(2-Bromophenylimino)methyl]-5-methoxyphenol is determined by using X-ray diffraction and then the molecular structure is investigated with density functional theory (DFT). X-Ray study shows that the title compound has a strong intramolecular O-H-N hydrogen bond and three dimensional crystal structure is primarily determined by C-H-{pi} and weak van der Waals interactions. The strong O-H-N bond is an evidence of the preference for the phenol-imine tautomeric form in the solid state. Optimized molecular geometry is calculated with DFT at the B3LYP/6-31G(d,p) level. The IR spectra of compound were recorded experimentally and calculated to compare with each other. The results from both experiment and theoretical calculations are compared in this study.

  16. Sub-5 nm Domains in Ordered Poly(cyclohexylethylene)-block-poly(methyl methacrylate) Block Polymers for Lithography.

    SciTech Connect (OSTI)

    Kennemur, Justin; Yao, Li; Bates, Frank Stephen; Hillmyer, Marc

    2014-01-01

    A series of poly(cyclohexylethylene)-block-poly- (methyl methacrylate) (PCHE PMMA) diblock copolymers with varying molar mass (4.9 kg/mol Mn 30.6 kg/mol) and narrow molar mass distribution were synthesized through a combination of anionic and atom transfer radical polymerization (ATRP) techniques. Heterogeneous catalytic hydrogenation of -(hydroxy)polystyrene (PS-OH) yielded -(hydroxy)poly(cyclohexylethylene) (PCHEOH) with little loss of hydroxyl functionality. PCHE-OH was reacted with -bromoisobutyryl bromide (BiBB) to produce an ATRP macroinitiator used for the polymerization of methyl methacrylate. PCHE PMMA is a glassy, thermally stable material with a large effective segment segment interaction parameter, eff = (144.4 6.2)/T (0.162 0.013), determined by meanfield analysis of order-to-disorder transition temperatures (TODT) measured by dynamic mechanical analysis and differential scanning calorimetry. Ordered lamellar domain pitches (9 D 33 nm) were identified by small-angle X-ray scattering from neat BCPs containing 43 52 vol % PCHE ( f PCHE). Atomic force microscopy was used to show 7.5 nm lamellar features (D = 14.8 nm) which are some of the smallest observed to date. The lowest molar mass sample (Mn = 4.9 kg/mol, f PCHE = 0.46) is characterized by TODT = 173 3 C and sub-5 nm nanodomains, which together with the sacrificial properties of PMMA and the high overall thermal stability place this material at the forefront of high- systems for advanced nanopatterning applications.

  17. Differences in volatile methyl siloxane (VMS) profiles in biogas from landfills and anaerobic digesters and energetics of VMS transformations

    SciTech Connect (OSTI)

    Tansel, Berrin Surita, Sharon C.

    2014-11-15

    Highlights: • In the digester gas, D4 and D5 comprised the 62% and 27% if siloxanes, respectively. • In landfill gas, the bulk of siloxanes were TMSOH (58%) followed by D4 (17%). • Methane utilization may be a possible mechanism for TMSOH formation in the landfills. • The geometric configurations of D4 and D5 molecules make them very stable. - Abstract: The objectives of this study were to compare the types and levels of volatile methyl siloxanes (VMS) present in biogas generated in the anaerobic digesters and landfills, evaluate the energetics of siloxane transformations under anaerobic conditions, compare the conditions in anaerobic digesters and municipal solid waste (MSW) landfills which result in differences in siloxane compositions. Biogas samples were collected at the South District Wastewater Treatment Plant and South Dade Landfill in Miami, Florida. In the digester gas, D4 and D5 comprised the bulk of total siloxanes (62% and 27%, respectively) whereas in the landfill gas, the bulk of siloxanes were trimethylsilanol (TMSOH) (58%) followed by D4 (17%). Presence of high levels of TMSOH in the landfill gas indicates that methane utilization may be a possible reaction mechanism for TMSOH formation. The free energy change for transformation of D5 and D4 to TMSOH either by hydrogen or methane utilization are thermodynamically favorable. Either hydrogen or methane should be present at relatively high concentrations for TMSOH formation which explains the high levels present in the landfill gas. The high bond energy and bond distance of the Si–O bond, in view of the atomic sizes of Si and O atoms, indicate that Si atoms can provide a barrier, making it difficult to break the Si–O bonds especially for molecules with specific geometric configurations such as D4 and D5 where oxygen atoms are positioned inside the frame formed by the large Si atoms which are surrounded by the methyl groups.

  18. Supramolecular organization of calix[4]pyrrole with a methyl-trialkylammonium anion exchanger leads to remarkable reversal of selectivity for sulfate extraction vs. nitrate

    SciTech Connect (OSTI)

    Borman, Christopher J; Custelcean, Radu; Hay, Benjamin; Bill, Nathan; Sessler, Jonathan L.; Moyer, Bruce A

    2011-01-01

    meso-Octamethylcalix[4]pyrrole (C4P) enhances sulfate selectivity in solvent extraction by Aliquat 336N, an effect ascribed to the supramolecular preorganization and thermodynamic stability imparted by insertion of the methyl group of the Aliquat cation into the cup of C4P in its cone conformation.

  19. Role for DNA methylation in the regulation of miR-200c and miR-141 expression in normal and cancer cells

    SciTech Connect (OSTI)

    Vrba, Lukas; Jensen, Taylor J.; Garbe, James C.; Heimark, Ronald L.; Cress, Anne E.; Dickinson, Sally; Stampfer, Martha R.; Futscher, Bernard W.

    2009-12-23

    BACKGROUND: The microRNA-200 family participates in the maintenance of an epithelial phenotype and loss of its expression can result in epithelial to mesenchymal transition (EMT). Furthermore, the loss of expression of miR-200 family members is linked to an aggressive cancer phenotype. Regulation of the miR-200 family expression in normal and cancer cells is not fully understood. METHODOLOGY/ PRINCIPAL FINDINGS: Epigenetic mechanisms participate in the control of miR-200c and miR-141 expression in both normal and cancer cells. A CpG island near the predicted mir-200c/mir-141 transcription start site shows a striking correlation between miR-200c and miR-141 expression and DNA methylation in both normal and cancer cells, as determined by MassARRAY technology. The CpG island is unmethylated in human miR-200/miR-141 expressing epithelial cells and in miR-200c/miR-141 positive tumor cells. The CpG island is heavily methylated in human miR-200c/miR-141 negative fibroblasts and miR-200c/miR-141 negative tumor cells. Mouse cells show a similar inverse correlation between DNA methylation and miR-200c expression. Enrichment of permissive histone modifications, H3 acetylation and H3K4 trimethylation, is seen in normal miR-200c/miR-141-positive epithelial cells, as determined by chromatin immunoprecipitation coupled to real-time PCR. In contrast, repressive H3K9 dimethylation marks are present in normal miR-200c/miR-141-negative fibroblasts and miR-200c/miR-141 negative cancer cells and the permissive histone modifications are absent. The epigenetic modifier drug, 5-aza-2'-deoxycytidine, reactivates miR-200c/miR-141 expression showing that epigenetic mechanisms play a functional role in their transcriptional control. CONCLUSIONS/ SIGNIFICANCE: We report that DNA methylation plays a role in the normal cell type-specific expression of miR-200c and miR-141 and this role appears evolutionarily conserved, since similar results were obtained in mouse. Aberrant DNA methylation of the miR-200c/141 CpG island is closely linked to their inappropriate silencing in cancer cells. Since the miR-200c cluster plays a significant role in EMT, our results suggest an important role for DNA methylation in the control of phenotypic conversions in normal cells.

  20. Gestational exposure to diethylstilbestrol alters cardiac structure/function, protein expression and DNA methylation in adult male mice progeny

    SciTech Connect (OSTI)

    Haddad, Rami, E-mail: rami.haddad@mail.mcgill.ca [Lady Davis Institute for Medical Research, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montral, Qubec, Canada H3T 1E2 (Canada) [Lady Davis Institute for Medical Research, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montral, Qubec, Canada H3T 1E2 (Canada); Division of Experimental Medicine, Department of Medicine, McGill University, 850 Sherbrooke Street, Montral, Qubec, Canada H3A 1A2 (Canada); Kasneci, Amanda, E-mail: amanda.kasneci@mail.mcgill.ca [Lady Davis Institute for Medical Research, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montral, Qubec, Canada H3T 1E2 (Canada)] [Lady Davis Institute for Medical Research, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montral, Qubec, Canada H3T 1E2 (Canada); Mepham, Kathryn, E-mail: katherine.mepham@mail.mcgill.ca [Lady Davis Institute for Medical Research, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montral, Qubec, Canada H3T 1E2 (Canada) [Lady Davis Institute for Medical Research, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montral, Qubec, Canada H3T 1E2 (Canada); Division of Experimental Medicine, Department of Medicine, McGill University, 850 Sherbrooke Street, Montral, Qubec, Canada H3A 1A2 (Canada); Sebag, Igal A., E-mail: igal.sebag@mcgill.ca [Division of Cardiology, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montral, Qubec, Canada H3T 1E2 (Canada); and others

    2013-01-01

    Pregnant women, and thus their fetuses, are exposed to many endocrine disruptor compounds (EDCs). Fetal cardiomyocytes express sex hormone receptors making them potentially susceptible to re-programming by estrogenizing EDCs. Diethylstilbestrol (DES) is a proto-typical, non-steroidal estrogen. We hypothesized that changes in adult cardiac structure/function after gestational exposure to the test compound DES would be a proof in principle for the possibility of estrogenizing environmental EDCs to also alter the fetal heart. Vehicle (peanut oil) or DES (0.1, 1.0 and 10.0 ?g/kg/da.) was orally delivered to pregnant C57bl/6n dams on gestation days 11.514.5. At 3 months, male progeny were left sedentary or were swim trained for 4 weeks. Echocardiography of isoflurane anesthetized mice revealed similar cardiac structure/function in all sedentary mice, but evidence of systolic dysfunction and increased diastolic relaxation after swim training at higher DES doses. The calcium homeostasis proteins, SERCA2a, phospholamban, phospho-serine 16 phospholamban and calsequestrin 2, are important for cardiac contraction and relaxation. Immunoblot analyses of ventricle homogenates showed increased expression of SERCA2a and calsequestrin 2 in DES mice and greater molecular remodeling of these proteins and phospho-serine 16 phospholamban in swim trained DES mice. DES increased cardiac DNA methyltransferase 3a expression and DNA methylation in the CpG island within the calsequestrin 2 promoter in heart. Thus, gestational DES epigenetically altered ventricular DNA, altered cardiac function and expression, and reduced the ability of adult progeny to cardiac remodel when physically challenged. We conclude that gestational exposure to estrogenizing EDCs may impact cardiac structure/function in adult males. -- Highlights: ? Gestational DES changes cardiac SERCA2a and CASQ2 expression. ? Echocardiography identified systolic dysfunction and increased diastolic relaxation. ? DES increased DNMT3a expression and increased CpG DNA methylation. ? DES impacts fetal heart reducing cardiac reserve on challenge in adulthood. ? Fetal heart can be re-programmed by a non-steroidal estrogen.

  1. Photocatalytic degradation of methyl orange dye in water solutions in the presence of MWCNT/TiO{sub 2} composites

    SciTech Connect (OSTI)

    Da Dalt, S.; Alves, A.K.; Bergmann, C.P.

    2013-05-15

    Highlights: ? MWCNTs/TiO{sub 2} composites were obtained to degrade organic dyes in water. ? MWCNT/TiO{sub 2} composites were analyzed by photocatalysis and structural characterization. ? The photocatalytic shows efficient method for the degradation of dyes from aqueous effluents. - Abstract: The textile and dyestuff industries are the primary sources of the release of synthetic dyes into the environment and usually there are major pollutants in dye wastewaters. Because of their toxicity and slow degradation, these dyes are categorized as environmentally hazardous materials. In this context, carbon nanotubes/TiO{sub 2} (CNTs/TiO{sub 2}) composites were prepared using multi-walled CNTs (MWCNTs), titanium (IV) propoxide and commercial TiO{sub 2} (P25{sup }) as titanium oxide sources, to degrade the methyl orange dye in solution through photocatalyst activity using UV irradiation. The composites were prepared by solution processing followed by thermal treatment at 400, 500 and 600 C. The heterojunction between nanotubes and TiO{sub 2} was confirmed by XRD, specific surface area. The coating morphology was observed with SEM and TEM.

  2. Effects of Turbulence on the Combustion Properties of Partially Premixed Flames of Canola Methyl Ester and Diesel Blends

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dhamale, N.; Parthasarathy, R. N.; Gollahalli, S. R.

    2011-01-01

    Canola methyl ester (CME) is a biofuel that is a renewable alternative energy resource and is produced by the transesterification of canola oil. The objective of this study was to document the effects of turbulence on the combustion characteristics of blends of CME and No 2 diesel fuel in a partially-premixed flame environment. The experiments were conducted with mixtures of pre-vaporized fuel and air at an initial equivalence ratio of 7 and three burner exit Reynolds numbers, 2700, 3600, and 4500. Three blends with 25, 50, and 75% volume concentration of CME were studied. The soot volume fraction was highestmore » for the pure diesel flames and did not change significantly with Reynolds number due to the mutually compensating effects of increased carbon input rate and increased air entrainment as the Reynolds number was increased. The global NOx emission index was highest and the CO emission index was the lowest for the pure CME flame, and varied non-monotonically with biofuel content in the blend The mean temperature and the NOx concentration at three-quarter flame height were generally correlated, indicating that the thermal mechanism of NOx formation was dominant in the turbulent biofuel flames also.« less

  3. Hydrothermal synthesis of Mn vanadate nanosheets and visible-light photocatalytic performance for the degradation of methyl blue

    SciTech Connect (OSTI)

    Pei, L.Z. Xie, Y.K.; Pei, Y.Q.; Jiang, Y.X.; Yu, H.Y.; Cai, Z.Y.

    2013-07-15

    Graphical abstract: - Highlights: Mn vanadate nanosheets have been synthesized by simple hydrothermal process. The formation of Mn vanadate nanosheets can be controlled by growth conditions. Mn vanadate nanosheets exhibit good photocatalytic activities for methyl blue. - Abstract: Mn vanadate nanosheets have been synthesized via a facile hydrothermal route using ammonium metavanadate and Mn acetate as the raw materials, polyvinyl pyrrolidone (PVP) as the surfactant. X-ray diffraction (XRD) shows that the Mn vanadate nanosheets are composed of monoclinic MnV{sub 2}O{sub 6} phase. Scanning electron microscopy (SEM) observation indicates that the nanosheets have the average thickness of about 50 nm, length of 210 ?m and width of 800 nm to 2 ?m. The growth process of the Mn vanadate nanosheets has also been discussed based on the analysis of the roles of the growth conditions on the formation of the Mn vanadate nanosheets. The nanosheets show good photocatalytic activities for the degradation of methylene blue (MB) under visible light irradiation. About 72.96% MB can be degraded after visible light irradiation for 1 h over 10 mg Mn vanadate nanosheets in 10 mL MB solution with the concentration of 10 mg L{sup ?1}.

  4. Synthesis of 6-Methyl-9-n-propyldibenzothiophene-4-ol. Quarterly technical progress report No. 5, July 28--October 28, 1991

    SciTech Connect (OSTI)

    Not Available

    1991-10-28

    The material presented here has been described to some extent in Status Reports 12, 13, and 14 and covers the progress toward the synthesis of the modified target molecules 9-isopropyl-4-methoxy-6-methyldibenzothiophene (13) and 9-isopropyl-6-methyldibenzothiophene-4-ol (14). It is divided into three parts: (a) Dehydrogenation experiments On tetrahydrodibenzothiophene 12. (b) methoxyl methyl cleavage of 13 to 14 using boron tribromide. (c) isolation and purification of methoxydibenzothiophene 13.

  5. Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: Potential implications for methylation-independent transcriptional repression

    SciTech Connect (OSTI)

    Horton, John R.; Zhang, Xing; Blumenthal, Robert M.; Cheng, Xiaodong

    2015-04-06

    DNA adenine methyltransferase (Dam) is widespread and conserved among the γ-proteobacteria. Methylation of the Ade in GATC sequences regulates diverse bacterial cell functions, including gene expression, mismatch repair and chromosome replication. Dam also controls virulence in many pathogenic Gram-negative bacteria. An unexplained and perplexing observation about Escherichia coli Dam (EcoDam) is that there is no obvious relationship between the genes that are transcriptionally responsive to Dam and the promoter-proximal presence of GATC sequences. Here, we demonstrate that EcoDam interacts with a 5-base pair non-cognate sequence distinct from GATC. The crystal structure of a non-cognate complex allowed us to identify a DNA binding element, GTYTA/TARAC (where Y = C/T and R = A/G). This element immediately flanks GATC sites in some Dam-regulated promoters, including the Pap operon which specifies pyelonephritis-associated pili. In addition, Dam interacts with near-cognate GATC sequences (i.e. 3/4-site ATC and GAT). All together, these results imply that Dam, in addition to being responsible for GATC methylation, could also function as a methylation-independent transcriptional repressor.

  6. Solgel auto combustion synthesis of CoFe{sub 2}O{sub 4}/1-methyl-2-pyrrolidone nanocomposite with ethylene glycol: Its magnetic characterization

    SciTech Connect (OSTI)

    Topkaya, R.; Kurtan, U.; Junejo, Y.; Baykal, A.

    2013-09-01

    Graphical abstract: - Highlights: CoFe{sub 2}O{sub 4} was generated by solgel autocombustion using 1-methyl-2-pyrrolidone and ethylene glycol. The presence of spin-disordered surface layer on magnetic core was established. A linear dependence of the coercivity on temperature was fitted to Kneller's law. - Abstract: Magnetic nanoparticles were generated by solgel auto combustion synthesis of metal salts in the presence of 1-methyl-2-pyrrolidone, a functional solvent and ethylene glycol as usual solvent. The average crystallite size was obtained by using line profile fitting as 11 5 nm. The saturation magnetization value decreases with usage of the ethylene glycol in synthesis. The observed exchange bias effect further confirms the existence of the magnetically ordered core surrounded by spin-disordered surface layer and the ethylene glycol. Square-root temperature dependence of coercivity can be fitted to Kneller's law in the temperature range of 10400 K. The reduced remanent magnetization values lower than the theoretical value of 0.5 for non-interacting single domain particles indicate the CoFe{sub 2}O{sub 4}-1-methyl-2-pyrrolidone nanocomposite to have uniaxial anisotropy instead of the expected cubic anisotropy according to the StonerWohlfarth model.

  7. Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: Potential implications for methylation-independent transcriptional repression

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Horton, John R.; Zhang, Xing; Blumenthal, Robert M.; Cheng, Xiaodong

    2015-04-06

    DNA adenine methyltransferase (Dam) is widespread and conserved among the γ-proteobacteria. Methylation of the Ade in GATC sequences regulates diverse bacterial cell functions, including gene expression, mismatch repair and chromosome replication. Dam also controls virulence in many pathogenic Gram-negative bacteria. An unexplained and perplexing observation about Escherichia coli Dam (EcoDam) is that there is no obvious relationship between the genes that are transcriptionally responsive to Dam and the promoter-proximal presence of GATC sequences. Here, we demonstrate that EcoDam interacts with a 5-base pair non-cognate sequence distinct from GATC. The crystal structure of a non-cognate complex allowed us to identify amore » DNA binding element, GTYTA/TARAC (where Y = C/T and R = A/G). This element immediately flanks GATC sites in some Dam-regulated promoters, including the Pap operon which specifies pyelonephritis-associated pili. In addition, Dam interacts with near-cognate GATC sequences (i.e. 3/4-site ATC and GAT). All together, these results imply that Dam, in addition to being responsible for GATC methylation, could also function as a methylation-independent transcriptional repressor.« less

  8. The Vital Function of Fe3O4@Au nanocomposites for Hydrolase Biosensor Design and Its Application in Detection of Methyl Parathion

    SciTech Connect (OSTI)

    Zhao, Yuting; Zhang, Weiying; Lin, Yuehe; Du, Dan

    2013-02-04

    A nanocomposite of gold nanoparticles (AuNPs) decorating a magnetic Fe3O4 core was synthesized using cysteamine (SHNH2) as linker, and characterized by TEM, XPS, UV and electrochemistry. Then a hydrolase biosensor, based on self-assembly of methyl parathion hydrolase (MPH) on the Fe3O4@Au nanocomposite, was developed for sensitive and selective detection of the organophosphorus pesticide (OP) methyl parathion. The magnetic nanocomposite provides an easy way to construct the enzyme biosensor by simply exerting an external magnetic field, and also provides a simple way to renew the electrode surface by removing the magnet. Unlike inhibition-based enzyme biosensors, the hydrolase is not poisoned by OPs and thus is reusable for continuous measurement. AuNPs not only provide a large surface area, high loading efficiency and fast electron transfer, but also stabilize the enzyme through electrostatic interactions. The MPH biosensor shows rapid response and high selectivity for detection of methyl parathion, with a linear range from 0.5 to 1000 ng/mL and a detection limit of 0.1 ng/mL. It also shows acceptable reproducibility and stability. The simplicity and ease of operation of the proposed method has great potential for on-site detection of PS containing pesticides and provides a promising strategy to construct a robust biosensor.

  9. A CHRONIC INHALATION STUDY OF METHYL BROMIDE TOXICITY IN B6C3F1 MICE. (FINAL REPORT TO THE NATIONAL TOXICOLOGY PROGRAM)

    SciTech Connect (OSTI)

    HABER, S.B.

    1987-06-26

    This report provides a detailed account of a two year chronic inhalation study of methyl bromide toxicity in B6C3Fl mice conducted for the National Toxicology Program. Mice were randomized into three dose groups (10, 33 and 100 ppm methyl bromide) and one control group (0 ppm) per sex and exposed 5 days/week, 6 hours/day, for a total of 103 weeks. Endpoints included body weight; clinical signs and mortality, and at 6, 15 and 24 months of exposure, animals were sacrificed for organ weights, hematology and histopathology. In addition, a subgroup of animals in each dosage group was monitored for neurobehavioral and neuropathological changes. After only 20 weeks of exposure, 48% of the males and 12% of the females in the 100 ppm group had died. Exposures were terminated in that group and the surviving mice were observed for the duration of the study. Exposure of B6C3Fl mice to methyl bromide, even for only 20 weeks, produced significant changes in growth rate, mortality, organ weights and neurobehavioral functioning. These changes occurred in both males and females, but were more pronounced in males.

  10. Structural and biochemical insights into 2′-O-methylation at the 3′-terminal nucleotide of RNA by Hen1

    SciTech Connect (OSTI)

    Chan, Chio Mui; Zhou, Chun; Brunzelle, Joseph S.; Huang, Raven H.

    2010-01-28

    Small RNAs of {approx}20-30 nt have diverse and important biological roles in eukaryotic organisms. After being generated by Dicer or Piwi proteins, all small RNAs in plants and a subset of small RNAs in animals are further modified at their 3'-terminal nucleotides via 2'-O-methylation, carried out by the S-adenosylmethionine-dependent methyltransferase (MTase) Hen1. Methylation at the 3' terminus is vital for biological functions of these small RNAs. Here, we report four crystal structures of the MTase domain of a bacterial homolog of Hen1 from Clostridium thermocellum and Anabaena variabilis, which are enzymatically indistinguishable from the eukaryotic Hen1 in their ability to methylate small single-stranded RNAs. The structures reveal that, in addition to the core fold of the MTase domain shared by other RNA and DNA MTases, the MTase domain of Hen1 possesses a motif and a domain that are highly conserved and are unique to Hen1. The unique motif and domain are likely to be involved in RNA substrate recognition and catalysis. The structures allowed us to construct a docking model of an RNA substrate bound to the MTase domain of bacterial Hen1, which is likely similar to that of the eukaryotic counterpart. The model, supported by mutational studies, provides insight into RNA substrate specificity and catalytic mechanism of Hen1.

  11. Henry's law constants for paint solvents and their implications on volatile organic compound emissions from automotive painting

    SciTech Connect (OSTI)

    Kim, B.R.; Kalis, E.M.; DeWulf, T.; Andrews, K.M.

    2000-02-01

    This paper describes experimental results of equilibrium partitioning of several significant paint solvents and formaldehyde between air and water to quantify the potential for capturing and retaining the constituents in spraybooth scrubber water during automotive painting. The compounds studied are toluene, n-butanol, methyl ethyl ketone methyl propyl ketone, methyl isobutyl ketone, methyl amyl ketone, butyl cellosolve, butyl cellosolve acetate, butyl carbitol, and n-methyl-2-pyrrolidinone. A set of field data collected at a Ford Motor Company assembly plant was also analyzed to determine whether data were consistent with the equilibrium phenomenon. The primary findings include: (a) There were more than six orders of magnitude difference in the Henry's law constants among the solvents studied. A solvent with a smaller constant is less easily stripped from water. The Henry's law constants decrease in the following order: toluene and xylenes > methyl ethyl ketone > n-butanol > butyl cellosolve acetate > butyl cellosolve > formaldehyde > butyl carbitol > n-methyl-2-pyrrolidinone. (b) Field data showed accumulation of n-methyl-2-pyrrolidinone and stable concentrations of butyl carbitol, butyl cellosolve, and n-butanol in the paint-sludge pit water during a 2-month period. Stable concentrations indicate a continuous, balanced capture and stripping of the solvents. Data were consistent with measured Henry's law constants. (c) The low Henry's law constant for formaldehyde is the result of the fact that it is hydrated when dissolved in water.

  12. {sup 13}C-METHYL FORMATE: OBSERVATIONS OF A SAMPLE OF HIGH-MASS STAR-FORMING REGIONS INCLUDING ORION-KL AND SPECTROSCOPIC CHARACTERIZATION

    SciTech Connect (OSTI)

    Favre, Ccile; Bergin, Edwin A.; Crockett, Nathan R.; Neill, Justin L.; Carvajal, Miguel; Field, David; Jrgensen, Jes K.; Bisschop, Suzanne E.; Brouillet, Nathalie; Despois, Didier; Baudry, Alain; Kleiner, Isabelle; Marguls, Laurent; Huet, Thrse R.; Demaison, Jean E-mail: miguel.carvajal@dfa.uhu.es

    2015-01-01

    We have surveyed a sample of massive star-forming regions located over a range of distances from the Galactic center for methyl formate, HCOOCH{sub 3}, and its isotopologues H{sup 13}COOCH{sub 3} and HCOO{sup 13}CH{sub 3}. The observations were carried out with the APEX telescope in the frequency range 283.4-287.4GHz. Based on the APEX observations, we report tentative detections of the {sup 13}C-methyl formate isotopologue HCOO{sup 13}CH{sub 3} toward the following four massive star-forming regions: Sgr B2(N-LMH), NGC6334 IRS 1, W51 e2, and G19.61-0.23. In addition, we have used the 1mm ALMA science verification observations of Orion-KL and confirm the detection of the {sup 13}C-methyl formate species in Orion-KL and image its spatial distribution. Our analysis shows that the {sup 12}C/{sup 13}C isotope ratio in methyl formate toward the Orion-KL Compact Ridge and Hot Core-SW components (68.4 10.1 and 71.4 7.8, respectively) are, for both the {sup 13}C-methyl formate isotopologues, commensurate with the average {sup 12}C/{sup 13}C ratio of CO derived toward Orion-KL. Likewise, regarding the other sources, our results are consistent with the {sup 12}C/{sup 13}C in CO. We also report the spectroscopic characterization, which includes a complete partition function, of the complex H{sup 13}COOCH{sub 3} and HCOO{sup 13}CH{sub 3} species. New spectroscopic data for both isotopomers H{sup 13}COOCH{sub 3} and HCOO{sup 13}CH{sub 3}, presented in this study, have made it possible to measure this fundamentally important isotope ratio in a large organic molecule for the first time.

  13. Photophysics and morphology of poly (3-dodecylthienylenevinylene)-[6,6]-phenyl-C{sub 61}-butyric acid methyl ester composite

    SciTech Connect (OSTI)

    Lafalce, E.; Toglia, P.; Jiang, X.; Zhang, C.

    2012-05-21

    A series of low band gap poly(3-dodecylthienylenevinylene) (PTV) with controlled morphological order have been synthesized and blended with the electron acceptor [6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PCBM) for organic photovoltaic devices. Two polymers with the most and least side chain regioregularity were chosen in this work, namely the PTV010 and PTV55, respectively. Using photoluminescence, photo-induced absorption spectroscopy, and atomic force microscopy, we find no direct evidence of photoinduced charge transfer between the two constituents, independent of the bulk-heterojunction morphology of the film, although the possibility of formation of P{sup +}/C{sub 60}{sup -} charge transfer complex was not completely ruled out. The large exciton binding energy (E{sub b} = 0.6 eV) in PTV inhibits the photoinduced electron transfer from PTV to PCBM. In addition, excitons formed on polymer chains suffer ultrafast (

  14. Accurate and Reliable Quantification of Total Microalgal Fuel Potential as Fatty Acid Methyl Esters by in situ Transesterfication

    SciTech Connect (OSTI)

    Laurens, L. M. L.; Quinn, M.; Van Wychen, S.; Templeton, D. W.; Wolfrum, E. J.

    2012-04-01

    In the context of algal biofuels, lipids, or better aliphatic chains of the fatty acids, are perhaps the most important constituents of algal biomass. Accurate quantification of lipids and their respective fuel yield is crucial for comparison of algal strains and growth conditions and for process monitoring. As an alternative to traditional solvent-based lipid extraction procedures, we have developed a robust whole-biomass in situ transesterification procedure for quantification of algal lipids (as fatty acid methyl esters, FAMEs) that (a) can be carried out on a small scale (using 4-7 mg of biomass), (b) is applicable to a range of different species, (c) consists of a single-step reaction, (d) is robust over a range of different temperature and time combinations, and (e) tolerant to at least 50% water in the biomass. Unlike gravimetric lipid quantification, which can over- or underestimate the lipid content, whole biomass transesterification reflects the true potential fuel yield of algal biomass. We report here on the comparison of the yield of FAMEs by using different catalysts and catalyst combinations, with the acid catalyst HCl providing a consistently high level of conversion of fatty acids with a precision of 1.9% relative standard deviation. We investigate the influence of reaction time, temperature, and biomass water content on the measured FAME content and profile for 4 different samples of algae (replete and deplete Chlorella vulgaris, replete Phaeodactylum tricornutum, and replete Nannochloropsis sp.). We conclude by demonstrating a full mass balance closure of all fatty acids around a traditional lipid extraction process.

  15. Using physiologically based pharmacokinetic modeling to address nonlinear kinetics and changes in rodent physiology and metabolism due to aging and adaptation in deriving reference values for propylene glycol methyl ether and propylene glycol methyl ether acetate.

    SciTech Connect (OSTI)

    Kirman, C R.; Sweeney, Lisa M.; Corley, Rick A.; Gargas, M L.

    2005-04-01

    Reference values, including an oral reference dose (RfD) and an inhalation reference concentration (RfC), were derived for propylene glycol methyl ether (PGME), and an oral RfD was derived for its acetate (PGMEA). These values were based upon transient sedation observed in F344 rats and B6C3F1 mice during a two-year inhalation study. The dose-response relationship for sedation was characterized using internal dose measures as predicted by a physiologically based pharmacokinetic (PBPK) model for PGME and its acetate. PBPK modeling was used to account for changes in rodent physiology and metabolism due to aging and adaptation, based on data collected during weeks 1, 2, 26, 52, and 78 of a chronic inhalation study. The peak concentration of PGME in richly perfused tissues was selected as the most appropriate internal dose measure based upon a consideration of the mode of action for sedation and similarities in tissue partitioning between brain and other richly perfused tissues. Internal doses (peak tissue concentrations of PGME) were designated as either no-observed-adverse-effect levels (NOAELs) or lowest-observed-adverse-effect levels (LOAELs) based upon the presence or absence of sedation at each time-point, species, and sex in the two year study. Distributions of the NOAEL and LOAEL values expressed in terms of internal dose were characterized using an arithmetic mean and standard deviation, with the mean internal NOAEL serving as the basis for the reference values, which was then divided by appropriate uncertainty factors. Where data were permitting, chemical-specific adjustment factors were derived to replace default uncertainty factor values of ten. Nonlinear kinetics are were predicted by the model in all species at PGME concentrations exceeding 100 ppm, which complicates interspecies and low-dose extrapolations. To address this complication, reference values were derived using two approaches which differ with respect to the order in which these extrapolations were performed: (1) uncertainty factor application followed by interspecies extrapolation (PBPK modeling); and (2) interspecies extrapolation followed by uncertainty factor application. The resulting reference values for these two approaches are substantially different, with values from the former approach being 7-fold higher than those from the latter approach. Such a striking difference between the two approaches reveals an underlying issue that has received little attention in the literature regarding the application of uncertainty factors and interspecies extrapolations to compounds where saturable kinetics occur in the range of the NOAEL. Until such discussions have taken place, reference values based on the latter approach are recommended for risk assessments involving human exposures to PGME and PGMEA.

  16. Controlling DNA Methylation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Induced DNA bending. Primary Citation Sawaya, M. R. Zhu, Z., Mersha, F., Chan, S-h., ... restriction-modification system control element C.BclI and mapping of its binding site. ...

  17. Analytical Methodologies for Detection of Gamma-Valerolactone, Delta-Valerolactone, Acephate and Azinphos Methyl and Their Associated Metabolites in Complex Biological Matrices

    SciTech Connect (OSTI)

    Zink, E.; Clark, R.; Grant, K.; Campbell, J.; Hoppe, E.

    2005-01-01

    Non-invasive biomonitoring for chemicals of interest in law enforcement and similar monitoring of pesticides, together with their metabolites, can not only save money but can lead to faster medical attention for individuals exposed to these chemicals. This study describes methods developed for the analysis of gamma-valerolactone (GVL), delta-valerolactone (DVL), acephate, and azinphos methyl in saliva and serum. Liquid chromatography/mass spectrometry (LC/MS) operated in the negative and positive ion mode and gas chromatography/mass spectrometry (GC/MS) were used to analyze GVL and DVL. Although both analytical techniques worked well, lower detection limits were obtained with GC/MS. The lactones and their corresponding sodium salts were spiked into both saliva and serum. The lactones were isolated from saliva or serum using newly developed extraction techniques and then subsequently analyzed using GC/MS. The sodium salts of the lactones are nonvolatile and require derivatization prior to analysis by this method. N-methyl-N-(t-butyldimethylsilyl)-trifluoroacetamide (MTBSTFA) was ultimately selected as the reagent for derivatization because the acidic conditions required for reactions with diazomethane caused the salts to undergo intramolecular cyclization to the corresponding lactones. In vitro studies were conducted using rat liver microsomes to determine other metabolites associated with these compounds. Azinphos methyl and acephate are classified as organophosphate pesticides, and are known to be cholinesterase inhibitors in humans and insects, causing neurotoxicity. For this reason they have both exposure and environmental impact implications. These compounds were spiked into serum and saliva and prepared for analysis by GC/MS. Continuation of this research would include analysis by GC/MS under positive ion mode to determine the parent ions of the unknown metabolites. Further research is planned through an in vivo analysis of the lactones and pesticides. These methodologies could be extended for further analysis of other similar compounds.

  18. Properties of electrospun CdS and CdSe filled poly(methyl methacrylate) (PMMA) nanofibres

    SciTech Connect (OSTI)

    Mthethwa, T.P.; Moloto, M.J.; De Vries, A.; Matabola, K.P.

    2011-04-15

    Graphical abstract: SEM images of CdS/PMMA showing coiling as loading of CdS nanoparticles is increased. Thermal stability is increased with increase in %loading of both CdS and CdSe nanoparticles. Research highlights: {yields} TOPO-capped CdS and HDA-capped CdSe nanoparticles were synthesized and fully characterized. {yields} The nanoparticles were mixed with the polymer, PMMA using electrospinning technique using 2, 5 and 10% weight loadings. {yields} The mixture was spun to produce fibres with optical and thermal properties showing significant change and also the increase in loading causing bending or spiraling. {yields} Both TEM images for nanoparticles and SEM for fibres shows the morphology and sizes of the particles. -- Abstract: Electrospinning technique was used to fabricate poly(methyl methacrylate) (PMMA) fibres incorporating CdS and CdSe quantum dots (nanoparticles). Different nanoparticle loadings (2, 5 and 10 wt% with respect to PMMA) were used and the effect of the quantum dots on the properties of the fibres was studied. The optical properties of the hybrid composite fibres were investigated by photoluminescence and UV-vis spectrophotometry. Scanning electron microscopy (SEM), X-ray diffraction and FTIR spectrophotometry were also used to investigate the morphology and structure of the fibres. The optical studies showed that the size-tunable optical properties can be achieved in the polymer fibres by addition of quantum dots. SEM images showed that the morphologies of the fibres were dependent on the added amounts of quantum dots. A spiral type of morphology was observed with an increase in the concentration of CdS and CdSe nanoparticles. Less beaded structures and bigger diameter fibres were obtained at higher quantum dot concentrations. X-ray diffractometry detected the amorphous peaks of the polymer and even after the quantum dots were added and the FTIR analysis shows that there was no considerable interaction between the quantum dots and the polymer fibres at low concentration of quantum dots however at higher concentrations some interactions were observed which shows that QDs were present on the surfaces of the fibres.

  19. Manipulation of the HIF–Vegf pathway rescues methyl tert-butyl ether (MTBE)-induced vascular lesions

    SciTech Connect (OSTI)

    Bonventre, Josephine A.; Kung, Tiffany S.; White, Lori A.; Cooper, Keith R.

    2013-12-15

    Methyl tert-butyl ether (MTBE) has been shown to be specifically anti-angiogenic in piscine and mammalian model systems at concentrations that appear non-toxic in other organ systems. The mechanism by which MTBE targets developing vascular structures is unknown. A global transcriptome analysis of zebrafish embryos developmentally exposed to 0.00625–5 mM MTBE suggested that hypoxia inducible factor (HIF)-regulated pathways were affected. HIF-driven angiogenesis via vascular endothelial growth factor (vegf) is essential to the developing vasculature of an embryo. Three rescue studies were designed to rescue MTBE-induced vascular lesions: pooled blood in the common cardinal vein (CCV), cranial hemorrhages (CH), and abnormal intersegmental vessels (ISV), and test the hypothesis that MTBE toxicity was HIF–Vegf dependent. First, zebrafish vegf-a over-expression via plasmid injection, resulted in significantly fewer CH and ISV lesions, 46 and 35% respectively, in embryos exposed to 10 mM MTBE. Then HIF degradation was inhibited in two ways. Chemical rescue by N-oxaloylglycine significantly reduced CCV and CH lesions by 30 and 32% in 10 mM exposed embryos, and ISV lesions were reduced 24% in 5 mM exposed zebrafish. Finally, a morpholino designed to knock-down ubiquitin associated von Hippel–Lindau protein, significantly reduced CCV lesions by 35% in 10 mM exposed embryos. In addition, expression of some angiogenesis related genes altered by MTBE exposure were rescued. These studies demonstrated that MTBE vascular toxicity is mediated by a down regulation of HIF–Vegf driven angiogenesis. The selective toxicity of MTBE toward developing vasculature makes it a potentially useful chemical in the designing of new drugs or in elucidating roles for specific angiogenic proteins in future studies of vascular development. - Highlights: • Global gene expression of MTBE exposed zebrafish suggested altered HIF1 signaling. • Over expression of zebrafish vegf-a rescues MTBE-induced vascular lesions. • Inhibiting PHD or knocking down VHL rescues MTBE-induced vascular lesions. • HIF1-Vegf driven angiogenesis is a target for MTBE vascular toxicity.

  20. Analysis of methyl neodecanamide in lake water by reversed-phase high performance liquid chromatography and gas chromatography-mass spectrometry

    SciTech Connect (OSTI)

    Rasmussen, H.T.; Friedman, S.K.; Mustilli, A.J.; McDonough, R.; McPherson, B.P. )

    1994-01-01

    Methyl Neodecanamide (MNDA) has been quantified in lake water at levels of 0.1 to 1,000 ppm. Total recoveries from spiked placebos were 99.8 [+-] 2.3% at the 1,000 ppm level and 98.3 [+-] 4.3% at the 0.1 ppm level (based on 54 determinations at each level). Plots of actual concentrations vs. determined concentrations were linear from 0.07--0.13 and 700--1,300 ppm (r > 0.999). Stability of MNDA in lake water was verified by determining the composition by GC/MS immediately after dissolution and after 3 days.

  1. Low temperature catalyst system for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.

    1984-04-20

    This patent discloses a catalyst and process useful at low temperatures (150/sup 0/C) and preferably in the range 80 to 120/sup 0/C used in the production of methanol from carbon monoxide and hydrogen. The catalyst components are used in slurry form and comprise (1) a complex reducing agent derived from the component structure NaH-ROH-M(OAc)/sub 2/ where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1 to 6 carbon atoms and (2) a metal carbonyl of a group VI (Mo, Cr, W) metal. For the first component, Nic is preferred (where M = Ni and R = tertiary amyl). For the second component, Mo(CO)/sub 6/ is preferred. The mixture is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  2. Low temperature catalysts for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.; Mahajan, D.

    1986-09-30

    A catalyst and process useful at low temperatures (below about 160 C) and preferably in the range 80--120 C used in the production of methanol from carbon monoxide and hydrogen are disclosed. The catalyst is used in slurry form and comprises a complex reducing agent derived from the component structure NaH--RONa-M(OAc)[sub 2] where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1--6 carbon atoms. This catalyst is preferably used alone but is also effective in combination with a metal carbonyl of a group VI (Mo, Cr, W) metal. The preferred catalyst precursor is Nic (where M = Ni and R = tertiary amyl). Mo(CO)[sub 6] is the preferred metal carbonyl if such component is used. The catalyst is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  3. Synthesis of 6-Methyl-9-propyldibenzothiophene-4-ol amended to 9-isopropyl-6-methyldibenzothiophene-4-ol. Final technical report, July 25, 1991--January 25, 1993

    SciTech Connect (OSTI)

    Eisenbraun, E.J.

    1992-02-17

    This is a draft final technical report on Task 1 of a contract to synthesize 6-Methyl-9-propyldibenzothiophene-4-ol, as amended to 9- isopropyl-6-methyldibenzothiophene-4-ol. This report is a compilation of data presented in earlier reports. The first annual report dealt with an attempted synthesis of 4-methoxy-6-methyl-9- propyldibenzothiophene (the original target compound), the successful synthesis and delivery of 200 grams of the sulfide 1,4-diethyl-2- [(2{prime}-methoxyphenyl)-thio]benzene, and initial work on a new synthesis route for the preparation of the new target compound 9- isopropyl-6-methyldibenzothiophene-4-ol. The change to the new target compound and the new synthesis route became necessary when it was learned that the sulfide mixture could not be cyclized to the substituted dibenzothiophene mixture. The second annual report described the successful preparation of 45 g of the new target compound using the new synthesis route. Subsequently funds were provided to synthesize an additional 45 g of the new target using the same reaction scheme. This task was recently completed.

  4. INSIGHTS INTO SURFACE HYDROGENATION IN THE INTERSTELLAR MEDIUM: OBSERVATIONS OF METHANIMINE AND METHYL AMINE IN Sgr B2(N)

    SciTech Connect (OSTI)

    Halfen, D. T.; Ziurys, L. M.; Ilyushin, V. V. E-mail: lziurys@as.arizona.edu

    2013-04-10

    Multiple observations of methanimine (CH{sub 2}NH) and methyl amine (CH{sub 3}NH{sub 2}) have been performed toward Sgr B2(N) at 1, 2, and 3 mm using the Submillimeter Telescope and the 12 m antenna of the Arizona Radio Observatory. In the frequency range 68-280 GHz, 23 transitions of CH{sub 2}NH and 170 lines of CH{sub 3}NH{sub 2} have been observed as individual, distinguishable features, although some are partially blended with other lines. For CH{sub 2}NH, the line profiles indicate V{sub LSR} = 64.2 {+-} 1.4 km s{sup -1} and {Delta}V{sub 1/2} = 13.8 {+-} 2.8 km s{sup -1}, while V{sub LSR} = 63.7 {+-} 1.6 km s{sup -1} and {Delta}V{sub 1/2} = 15.1 {+-} 3.0 km s{sup -1} for CH{sub 3}NH{sub 2}, parameters that are very similar to those of other organic species in Sgr B2(N). From these data, rotational diagrams were constructed for both species. In the case of CH{sub 2}NH, a rotational temperature of T{sub rot} = 44 {+-} 13 K and a column density of N{sub tot} = (9.1 {+-} 4.4) Multiplication-Sign 10{sup 14} cm{sup -2} were determined from the analysis. For CH{sub 3}NH{sub 2}, T{sub rot} = 159 {+-} 30 K and N{sub tot} = (5.0 {+-} 0.9) Multiplication-Sign 10{sup 15} cm{sup -2}, indicating that this species is present in much warmer gas than CH{sub 2}NH. The fractional abundances for CH{sub 2}NH and CH{sub 3}NH{sub 2} were established to be f (H{sub 2}) Almost-Equal-To 3.0 Multiplication-Sign 10{sup -10} and f (H{sub 2}) Almost-Equal-To 1.7 Multiplication-Sign 10{sup -9}, respectively. It has been proposed that CH{sub 2}NH is formed on grains via hydrogenation of HCN; further hydrogenation of CH{sub 2}NH on surfaces leads to CH{sub 3}NH{sub 2}. However, given the dissimilarity between the rotational temperatures and distributions of CH{sub 2}NH and CH{sub 3}NH{sub 2} in Sgr B2, it is improbable that these species are closely related synthetically, at least in this source. Both CH{sub 2}NH and CH{sub 3}NH{sub 2} are more likely created by neutral-neutral processes in the gas phase.

  5. APPENDXD.CHP:Corel VENTURA

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Report The Form EIA-819, "Monthly Oxygenate Report" provides production data for fuel ethanol and methyl tertiary butyl ether (MTBE). End-of-month stock data held at ethanol...

  6. Preparations for Meeting New York and Connecticut MTBE Bans

    Reports and Publications (EIA)

    2003-01-01

    In response to a Congressional request, the Energy Information Administration examined the progress being made to meet the bans on the use of methyl tertiary butyl ether (MTBE) being implemented in New York and Connecticut at the end of 2003.

  7. On the correlation between the photoexcitation pathways and the critical energies required for ablation of poly(methyl methacrylate): A molecular dynamics study

    SciTech Connect (OSTI)

    Conforti, Patrick F.; Prasad, Manish; Garrison, Barbara J.

    2008-05-15

    The energetics initiating ablation in poly(methyl methacrylate) (PMMA) are studied using molecular dynamics (MD) simulation. The critical energy to initiate ablation in PMMA following the absorption of photons is investigated for two penetration depths along a range of fluences using a coarse-grained, hybrid Monte Carlo-MD scheme. Both heating and direct bond scission are simulated separately after photon absorption with additional transformation of material occurring via chemical reactions following the photochemical bond cleavage. For a given type of absorption and reaction channel, a critical energy can well describe the amount of energy required to initiate ablation. The simulations show a decrease in the critical energy when a greater amount of photochemistry is introduced in the system. The simulations complement experimental studies and elucidate how enhanced photochemistry lowers ablation thresholds in polymer substrates.

  8. Crystallization of lysozyme with (R)-, (S)- and (RS)-2-methyl-2,4-pentanediol

    SciTech Connect (OSTI)

    Stauber, Mark; Jakoncic, Jean; Berger, Jacob; Karp, Jerome M.; Axelbaum, Ariel; Sastow, Dahniel; Buldyrev, Sergey V.; Hrnjez, Bruce J.; Asherie, Neer

    2015-03-01

    Chiral control of crystallization has ample precedent in the small-molecule world, but relatively little is known about the role of chirality in protein crystallization. In this study, lysozyme was crystallized in the presence of the chiral additive 2-methyl-2,4-pentanediol (MPD) separately using the R and S enantiomers as well as with a racemic RS mixture. Crystals grown with (R)-MPD had the most order and produced the highest resolution protein structures. This result is consistent with the observation that in the crystals grown with (R)-MPD and (RS)-MPD the crystal contacts are made by (R)-MPD, demonstrating that there is preferential interaction between lysozyme and this enantiomer. These findings suggest that chiral interactions are important in protein crystallization.

  9. Synthesis ofN-(2-chloro-5-methylthiophenyl)-N'-(3-methyl-thiophenyl)-N'-[3H3]methylguanidine, l brace [3H3]CNS-5161 r brace

    SciTech Connect (OSTI)

    Gibbs, Andrew R.; Morimoto, Hiromi; VanBrocklin, Henry F.; Williams, Philip G.; Biegon, Anat

    2001-09-28

    The preparation of the title compound, [{sup 3}H{sub 3}]CNS-5161, was accomplished in three steps starting with the production of [{sup 3}H{sub 3}]iodomethane (CT{sub 3}I). The intermediate N-[{sup 3}H{sub 3}]methyl-3-(thiomethylphenyl)cyanamide was prepared in 77% yield by the addition of CT{sub 3}I to 3-(thiomethylphenyl)cyanamide, previously treated with sodium hydride. Reaction of this tritiated intermediate with 2-chloro-5-thiomethylaniline hydrochloride formed the guanidine compound [{sup 3}H{sub 3}]CNS-5161. Purification by HPLC gave the desired labeled product in an overall yield of 9% with greater than 96% radiochemical purity and a final specific activity of 66 Ci mmol{sup -1}.

  10. K20E, an oxidative-coupling compound of methyl caffeate, exhibits anti-angiogenic activities through down-regulations of VEGF and VEGF receptor-2

    SciTech Connect (OSTI)

    Pan, Chun-Hsu; Lin, Wen-Hsin; Chien, Yi-Chung; Liu, Fon-Chang; Sheu, Ming-Jyh; Kuo, Yueh-Hsiung; Wu, Chieh-Hsi

    2015-01-15

    Anti-angiogenesis is one of the most popular clinical interventions for cancer chemotherapy. A series of synthesized derivative of methyl caffeate were used to evaluate the anti-angiogenic activity and to investigate possible pharmacological mechanisms in the present study. The most potent anti-angiogenic compound was evaluated in the experiments of murine allograft tumor model and Matrigel plug assay as well as cell models in the human umbilical vascular endothelial cells (HUVECs) and the LLC1 lung cancer cells. Our results suggested that K20E suppressed the tumor growth in the allograft tumor model and exhibited anti-angiogenic activity in Matrigel plug assay. Besides, HUVEC viability was found to be significantly reduced by arresting cell cycle at G{sub 2}/M phase and apoptosis. Cell migration, invasion, and tube formation of the HUVECs were also markedly suppressed by K20E treatment. K20E largely down-regulated the intracellular and secreted vascular endothelial growth factor (VEGF) in the LLC1 cancer cells. Besides, VEGF receptor-2 (VEGFR-2) and its downstream signaling cascades (AKT-mTOR and MEK1/2-ERK1/2) as well as gelatinases were all evidently reduced in the HUVECs treated with K20E. Inversely, K20E can up-regulate the expression levels of p53 and p21 proteins in the HUVECs. Based on these results, our study suggested that K20E possessed inhibiting angiogenesis through regulation of VEGF/VEGFR-2 and its downstream signaling cascades in the vascular endothelial cells (VECs). - Highlights: • K20E is an oxidative-coupling compound of methyl caffeate. • K20E exhibits anti-tumor and anti-angiogenesis effects. • K20E suppresses the expressions of VEGF and VEGF receptor-2 (VEGFR-2) proteins. • K20E deactivates VEGFR-2-mediated downstream signaling pathways to inhibit angiogenesis. • K20E up-regulates p53-p21 pathway to induce apoptosis and cell arrest at G2/M phase.

  11. Synthesis of [.sup.13C] and [.sup.2H] substituted methacrylic acid, [.sup.13C] and [.sup.2H] substituted methyl methacrylate and/or related compounds

    DOE Patents [OSTI]

    Alvarez, Marc A.; Martinez, Rodolfo A.; Unkefer, Clifford J.

    2008-01-22

    The present invention is directed to labeled compounds of the formulae ##STR00001## wherein Q is selected from the group consisting of --S--, --S(.dbd.O)--, and --S(.dbd.O).sub.2--, Z is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure ##STR00002## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are each independently selected from the group consisting of hydrogen, a C.sub.1-C.sub.4 lower alkyl, a halogen, and an amino group selected from the group consisting of NH.sub.2, NHR and NRR' where R and R' are each independently selected from the group consisting of a C.sub.1-C.sub.4 lower alkyl, an aryl, and an alkoxy group, and X is selected from the group consisting of hydrogen, a C.sub.1-C.sub.4 lower alkyl group, and a fully-deuterated C.sub.1-C.sub.4 lower alkyl group. The present invention is also directed to a process of preparing labeled compounds, e.g., process of preparing [.sup.13C]methacrylic acid by reacting a (CH.sub.3CH.sub.2O--.sup.13C(O)--.sup.13CH.sub.2)-- aryl sulfone precursor with .sup.13CHI to form a (CH.sub.3CH.sub.2O--.sup.13C(O)--.sup.13C(.sup.13CH.sub.3).sub.2)-- aryl sulfone intermediate, and, reacting the (CH.sub.3CH.sub.2O--.sup.13C(O)--.sup.13C(.sup.13CH.sub.3).sub.2)-- aryl sulfone intermediate with sodium hydroxide, followed by acid to form [.sup.13C]methacrylic acid. The present invention is further directed to a process of preparing [.sup.2H.sub.8]methyl methacrylate by reacting a (HOOC--C(C.sup.2H.sub.3).sub.2-- aryl sulfinyl intermediate with CD.sub.3I to form a (.sup.2H.sub.3COOC--C(C.sup.2H.sub.3).sub.2)-- aryl sulfinyl intermediate, and heating the(.sup.2H.sub.3COOC--C(C.sup.2H.sub.3).sub.2)-- aryl sulfinyl intermediate at temperatures and for time sufficient to form [.sup.2H.sub.8]methyl methacrylate.

  12. Stereochemical effects in the gas-phase pinacol rearrangement. 2. Ring contraction versus methyl migration in cis- and trans-1,2-dimethylcyclohexane-1,2-diol

    SciTech Connect (OSTI)

    de Petris, G.; Giacomello, P.; Pizzabiocca, A.; Renzi, G.; Speranza, M.

    1988-02-17

    The gas-phase pinacol rearrangement of cis- and trans-1,2-dimethylcyclohexane-1,2-diols, promoted by D/sub 3//sup +/, CH/sub 5//sup +//C/sub 2/H/sub 5//sup +/ and t-C/sub 4/H/sub 9//sup +/ ions, was studied by mass spectrometric and radiolytic methods in the pressure range 0.5-760 Torr. When product isomerization is inhibited, by using N(CH/sub 3/)/sub 3/ as a trapping reagent at high pressure, mixtures of 2,2-dimethylcyclohexanone and 1-acetyl-1-methylcyclopentane were recovered from the reaction. In methane, the trend of the measured relative rates for ring contraction (k/sub 5/), methyl or hydroxyl group migration (k/sub 6/) versus the rearrangement rate of pincaol itself (k/sub p/), is k/sub 6/(trans) approx. k/sub 5/(trans) greater than or equal to k/sub 5/(cis) > k/sub 6/(cis) greater than or equal to k/sub p/. No evidence for the formation of an intermediate carbenium ion was found. Stereochemical aspects of the mechanism are discussed and compared with solution data.

  13. Emissions characteristics of ethyl and methyl ester of rapeseed oil compared with low sulfur diesel control fuel in a chassis dynamometer test of a pickup truck

    SciTech Connect (OSTI)

    Peterson, C.; Reece, D.

    1996-05-01

    Comprehensive tests were performed on an on-road vehicle in cooperation with the Los Angeles County Metropolitan Transit Authority emissions test facility. All tests were with a transient chassis dynamometer. Tests included both a double arterial cycle of 768 s duration and an EPA heavy duty vehicle cycle of 1,060 s duration. The test vehicle was a 1994 pickup truck with a 5.9-L turbocharged and intercooled, direct injection diesel engine. Rapeseed methyl (RME) and ethyl esters (REE) and blends were compared with low sulfur diesel control fuel. Emissions data include all regulated emissions: hydrocarbons (HC), carbon monoxide (CO), carbon dioxide (CO{sub 2}), oxides of nitrogen (NO{sub x}), and particulate matter (PM). In these tests the average of 100% RME and 100% REE reduced HC (52.4%), CO (47.6%), NO{sub x} (10.0%), and increases in CO{sub 2} (0.9%) and PM (9.9%) compared to the diesel control fuel. Also, 100% REE reduced HC (8.7%), CO (4.3%), and NO{sub x} (3.4%) compared to 100% RME. 33 refs., 1 figs., 8 tabs.

  14. Molecular and crystal structures of 4'-hydroxy derivative of (3R,6R)-3-methyl-6-isopropyl-2-(4-phenylbenzylidene)cyclohexanone

    SciTech Connect (OSTI)

    Kutulya, L. A.; Kulishov, V. I.; Shishkina, S. V.; Tolochko, A. S.; Roshal', A. D.; Shishkin, O. V.

    2008-05-15

    The molecular and crystal structures of the 4-hydroxy derivative of (3R,6R)-3-methyl-6-isopropyl-2-(4-phenylbenzylidene)cyclohexanone are determined by X-ray diffraction analysis. Single crystals are orthorhombic, a = 9.147(2) A, b = 12.959(2) A, c = 15.695(5) A, V = 1860.4(7) A{sup 3}, Z = 4, and space group P2{sub 1}2{sub 1}2{sub 1}. The cyclohexanone ring in the crystal structure has an asymmetric chair conformation. The puckering parameters are as follows: the puckering amplitude S is 0.91, and the puckering angles {theta} and {psi} are equal to 20.2{sup o} and 10.4{sup o}, respectively. It is established that the enone fragment and the cyclohexanone ring in molecules are flattened considerably. In the crystal structure, the molecules are linked by the hydrogen bonds (bond length, 1.85 A). The structural features and the strength of the hydrogen bonds for the compound under investigation and its analogue with one benzene ring are compared using the X-ray diffraction and IR spectroscopic data.

  15. Process for producing high purity isoolefins and dimers thereof by dissociation of ethers

    DOE Patents [OSTI]

    Smith, L.A. Jr.; Jones, E.M. Jr.; Hearn, D.

    1984-05-08

    Alkyl tertiary butyl ether or alkyl tertiary amyl ether is dissociated by vapor phase contact with a cation acidic exchange resin at temperatures in the range of 150 to 250 F at LHSV of 0.1 to 20 to produce a stream consisting of unreacted ether, isobutene or isoamylene and an alcohol corresponding to the alkyl radical. After the alcohol is removed, the ether/isoolefin stream may be fractionated to obtain a high purity isoolefin (99+%) or the ether/isoolefin stream can be contacted in liquid phase with a cation acidic exchange resin to selectively dimerize the isoolefin in a highly exothermic reaction, followed by fractionation of the dimerization product to produce high purity diisoolefin (97+%). In the case where the alkyl is C[sub 3] to C[sub 6] and the corresponding alcohol is produced on dissociation of the ether, combined dissociation-distillation may be carried out such that isoolefin is the overhead product and alcohol the bottom. 2 figs.

  16. Process for producing high purity isoolefins and dimers thereof by dissociation of ethers

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A.; Jones, Jr., Edward M.; Hearn, Dennis

    1984-01-01

    Alkyl tertiary butyl ether or alkyl tertiary amyl ether is dissociated by vapor phase contact with a cation acidic exchange resin at temperatures in the range of 150.degree. to 250.degree. F. at LHSV of 0.1 to 20 to produce a stream consisting of unreacted ether, isobutene or isoamylene and an alcohol corresponding to the alkyl radical. After the alcohol is removed, the ether/isoolefin stream may be fractionated to obtain a high purity isoolefin (99+%) or the ether/isoolefin stream can be contacted in liquid phase with a cation acidic exchange resin to selectively dimerize the isoolefin in a highly exothermic reaction, followed by fractionation of the dimerization product to produce high purity diisoolefin (97+%). In the case where the alkyl is C.sub.3 to C.sub.6 and the corresponding alcohol is produced on dissociation of the ether, combined dissociation-distillation may be carried out such that isoolefin is the overhead product and alcohol the bottom.

  17. "Seeing" Mercury Methylation in Progress

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Wiener JG, Krabbgenhoft DP, Heinz GH, Scheuhammer AM (2003). Ecotoxicology of mercury. In Handbook of Ecotoxicology; Hoffman DJ, Rattner BA, Burton GA Jr, Cairns J Jr, Eds.; CRC ...

  18. Spatiotemporal temperature and density characterization of high-power atmospheric flashover discharges over inert poly(methyl methacrylate) and energetic pentaerythritol tetranitrate dielectric surfaces

    SciTech Connect (OSTI)

    Tang, V.; Grant, C. D.; McCarrick, J. F.; Zaug, J. M.; Glascoe, E. A.; Wang, H.

    2012-03-01

    A flashover arc source that delivered up to 200 mJ on the 100s-of-ns time-scale to the arc and a user-selected dielectric surface was characterized for studying high-explosive kinetics under plasma conditions. The flashover was driven over thin pentaerythritol tetranitrate (PETN) and poly(methyl methacrylate) (PMMA) dielectric films and the resultant plasma was characterized in detail. Time- and space-resolved temperatures and electron densities of the plasma were obtained using atomic emission spectroscopy. The hydrodynamics of the plasma was captured through fast, visible imaging. Fourier transform infrared spectroscopy (FTIR) was used to characterize the films pre- and post-shot for any chemical alterations. Time-resolved infrared spectroscopy (TRIR) provided PETN depletion data during the plasma discharge. For both types of films, temperatures of 1.6-1.7 eV and electron densities of {approx}7-8 x 10{sup 17}/cm{sup 3}{approx}570 ns after the start of the discharge were observed with temperatures of 0.6-0.7 eV persisting out to 15 {mu}s. At 1.2 {mu}s, spatial characterization showed flat temperature and density profiles of 1.1-1.3 eV and 2-2.8 x 10{sup 17}/cm{sup 3} for PETN and PMMA films, respectively. Images of the plasma showed an expanding hot kernel starting from radii of {approx}0.2 mm at {approx}50 ns and reaching {approx}1.1 mm at {approx}600 ns. The thin films ablated or reacted several hundred nm of material in response to the discharge. First TRIR data showing the in situ reaction or depletion of PETN in response to the flashover arc were successfully obtained, and a 2-{mu}s, 1/e decay constant was measured. Preliminary 1 D simulations compared reasonably well with the experimentally determined plasma radii and temperatures. These results complete the first steps to resolving arc-driven PETN reaction pathways and their associated kinetic rates using in situ spectroscopy techniques.

  19. Two new coordination polymers constructed by naphthalene-1,4-dicarboxylic acid and 2,4-diamino-6-methyl-triazine

    SciTech Connect (OSTI)

    Li, Yamin; Xiao, Changyu; Zhang, Xudong; Xu, Yanhui; Li, Junrui; Lun, Huijie; Chen, Qi

    2013-08-15

    Two new transition metal coordination complexes, ([MnO(nda)](H{sub 2}dmt)(H{sub 2}O)){sub n} (1), [Ag{sub 5}(nda){sub 2.5}(dmt)]{sub n} (2), (H{sub 2}nda=naphthalene-1,4-dicarboxylic acid, dmt=2,4-diamine-6-methyl-1,3,5-triazine) have been hydrothermally synthesized by the reactions of H{sub 2}nda and dmt with the homologous MnCl{sub 2}·4H{sub 2}O and AgNO{sub 3}, respectively, and characterized by single-crystal X-ray diffraction, IR spectra, elemental analysis, thermogravimetric analysis (TGA). The compound 1 exhibits a 3D network comprising 1D metal chain (MnO(CO{sub 2}){sub 2}){sub n} connected by the ligand nda{sup 2−}, featuring a four-connected uninodal diamond -like topology. In compound 2, it is firstly observed that decanuclear silver units as secondary building units to construct 3D network by the ligands dmt and nda{sup 2−}, with a rare 2-nodal (3,8)-connected tfz-d topology ((4{sup 3}){sub 2}(4{sup 6}.6{sup 18}.8{sup 4})). The interactions within each Mn(II)—Mn(II) pair of compound 1 are antiferromagnetic (g=2.07, J=−1.42(1) cm{sup −1}, zj′=−0.73(2) cm{sup −1}). In addition, compound 2 exhibits photoluminescent property at about 472 nm (λ{sub ex}=394 nm). - Graphical abstract: Two new transition metal coordination complexes 1–2 have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction, IR spectra, elemental analysis thermogravimetric analysis (TGA). Highlights: • The compound 1 exhibits a 3D network with four-connected uninodal diamond-like topology. • The first 3D network of 2 with a rare tfz-d topology consists of decanuclear silver clusters as secondary building units. • The magnetic measurement indicates the compound 1 shows antiferromagnetic interactions. • The photoluminescent property of 2 has been measured.

  20. Quercetin 3-O-methyl ether protects FL83B cells from copper induced oxidative stress through the PI3K/Akt and MAPK/Erk pathway

    SciTech Connect (OSTI)

    Tseng, Hsiao-Ling; Li, Chia-Jung; Huang, Lin-Huang; Chen, Chun-Yao; Tsai, Chun-Hao; Lin, Chun-Nan; Department of Biological Science and Technology, School of Medicine, China Medical University, Taichung, Taiwan ; Hsu, Hsue-Yin

    2012-10-01

    Quercetin is a bioflavonoid that exhibits several biological functions in vitro and in vivo. Quercetin 3-O-methyl ether (Q3) is a natural product reported to have pharmaceutical activities, including antioxidative and anticancer activities. However, little is known about the mechanism by which it protects cells from oxidative stress. This study was designed to investigate the mechanisms by which Q3 protects against Cu{sup 2+}-induced cytotoxicity. Exposure to Cu{sup 2+} resulted in the death of mouse liver FL83B cells, characterized by apparent apoptotic features, including DNA fragmentation and increased nuclear condensation. Q3 markedly suppressed Cu{sup 2+}-induced apoptosis and mitochondrial dysfunction, characterized by reduced mitochondrial membrane potential, caspase-3 activation, and PARP cleavage, in Cu{sup 2+}-exposed cells. The involvement of PI3K, Akt, Erk, FOXO3A, and Mn-superoxide dismutase (MnSOD) was shown to be critical to the survival of Q3-treated FL83B cells. The liver of both larval and adult zebrafish showed severe damage after exposure to Cu{sup 2+} at a concentration of 5 μM. Hepatic damage induced by Cu{sup 2+} was reduced by cotreatment with Q3. Survival of Cu{sup 2+}-exposed larval zebrafish was significantly increased by cotreatment with 15 μM Q3. Our results indicated that Cu{sup 2+}-induced apoptosis in FL83B cells occurred via the generation of ROS, upregulation and phosphorylation of Erk, overexpression of 14-3-3, inactivation of Akt, and the downregulation of FOXO3A and MnSOD. Hence, these results also demonstrated that Q3 plays a protective role against oxidative damage in zebrafish liver and remarked the potential of Q3 to be used as an antioxidant for hepatocytes. Highlights: ► Protective effects of Q3 on Cu{sup 2+}-induced oxidative stress in vitro and in vivo. ► Cu{sup 2+} induced apoptosis in FL83B cells via ROS and the activation of Erk. ► Q3 abolishes Cu{sup 2+}-induced apoptosis through the PI3K/Akt and MAPK/Erk pathway.

  1. Graphene composite for improvement in the conversion efficiency of flexible poly 3-hexyl-thiophene:[6,6]-phenyl C{sub 71} butyric acid methyl ester polymer solar cells

    SciTech Connect (OSTI)

    Chauhan, A. K., E-mail: akchau@barc.gov.in, E-mail: akc.barc@gmail.com; Gusain, Abhay; Jha, P.; Koiry, S. P.; Saxena, Vibha; Veerender, P.; Aswal, D. K.; Gupta, S. K. [Technical Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085 (India)

    2014-03-31

    The solution of thin graphene-sheets obtained from a simple ultrasonic exfoliation process was found to chemically interact with [6,6]-phenyl C{sub 71} butyric acid methyl ester (PCBM) molecules. The thinner graphene-sheets have significantly altered the positions of highest occupied molecular orbital and lowest unoccupied molecular orbital of PCBM, which is beneficial for the enhancement of the open circuit voltage of the solar cells. Flexible bulk heterojunction solar cells fabricated using poly 3-hexylthiophene (P3HT):PCBM-graphene exhibited a power conversion efficiency of 2.51%, which is a ?2-fold increase as compared to those fabricated using P3HT:PCBM. Inclusion of graphene-sheets not only improved the open-circuit voltage but also enhanced the short-circuit current density owing to an improved electron transport.

  2. Process for tertiary oil recovery using tall oil pitch

    DOE Patents [OSTI]

    Radke, C.J.

    1983-07-25

    A process and compositions for enhancing the recovery of acid crudes are disclosed. The process involves injecting caustic solutions into the reservoir to maintain a pH of 11 to 13. The fluid contains an effective amount of multivalent cation for inhibiting alkaline silica dissolution with the reservoir. A tall oil pitch soap is added as a polymeric mobility control agent. (DMC)

  3. Process for tertiary oil recovery using tall oil pitch

    DOE Patents [OSTI]

    Radke, Clayton J.

    1985-01-01

    Compositions and process employing same for enhancing the recovery of residual acid crudes, particularly heavy crudes, by injecting a composition comprising caustic in an amount sufficient to maintain a pH of at least about 11, preferably at least about 13, and a small but effective amount of a multivalent cation for inhibiting alkaline silica dissolution with the reservoir. Preferably a tall oil pitch soap is included and particularly for the heavy crudes a polymeric mobility control agent.

  4. Radiation chemistry of alternative fuel oxygenates -- Substituted ethers

    SciTech Connect (OSTI)

    Mezyk, S. P.; Cooper, W. J.; Bartels, D. M.; Tobien, T.; O'Shea, K. E.

    1999-11-15

    The electron beam process, an advanced oxidation and reduction technology, is based in the field of radiation chemistry. Fundamental to the development of treatment processes is an understanding of the underlying chemistry. The authors have previously evaluated the bimolecular rate constants for the reactions of methyl tert-butyl ether (MTBE) and with this study have extended their studies to include ethyl tert-butyl ether (ETBE), di-isopropyl ether (DIPE) and tert-amyl methyl ether (TAME) with the hydroxyl radical, hydrogen atom and solvated electron using pulse radiolysis. For all of the oxygenates the reaction with the hydroxyl radical appears to be of primary interest in the destruction of the compounds in water. The rates with the solvated electron are limiting values as the rates appear to be relatively low. The hydrogen atom rate constants are relatively low, coupled with the low yield in radiolysis, they concluded that these are of little significance in the destruction of the alternative fuel oxygenates (and MTBE).

  5. Low temperature catalysts for methanol production

    DOE Patents [OSTI]

    Sapienza, Richard S.; Slegeir, William A.; O'Hare, Thomas E.; Mahajan, Devinder

    1986-01-01

    A catalyst and process useful at low temperatures (below about 160.degree. C.) and preferably in the range 80.degree.-120.degree. C. used in the production of methanol from carbon monoxide and hydrogen is disclosed. The catalyst is used in slurry form and comprises a complex reducing agent derived from the component structure NaH--RONa--M(OAc).sub.2 where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1-6 carbon atoms. This catalyst is preferably used alone but is also effective in combination with a metal carbonyl of a group VI (Mo, Cr, W) metal. The preferred catalyst precursor is Nic (where M=Ni and R=tertiary amyl). Mo(CO).sub.6 is the preferred metal carbonyl if such component is used. The catalyst is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  6. Low temperature catalysts for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.; Mahajan, D.

    1985-03-12

    A catalyst and process useful at low temperatures (below about 160/sup 0/C) and preferably in the range 80 to 120/sup 0/C used in the production of methanol from carbon monoxide and hydrogen is disclosed. The catalyst is used in slurry form and comprises a complex reducing agent derived from the component structure NaH-RONa-M(OAc)/sub 2/ where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1 to 6 carbon atoms. This catalyst is preferably used alone but is also effective in combination with a metal carbonyl of a group VI (Mo, Cr, W) metal. The preferred catalyst precursor is Nic (where M = Ni and R = tertiary amyl). Mo(CO)/sub 6/ is the preferred metal carbonyl if such component is used. The catalyst is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  7. Low temperature catalysts for methanol production

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; O'Hare, T.E.; Mahajan, D.

    1986-10-28

    A catalyst and process useful at low temperatures (below about 160 C) and preferably in the range 80--120 C used in the production of methanol from carbon monoxide and hydrogen are disclosed. The catalyst is used in slurry form and comprises a complex reducing agent derived from the component structure NaH--RONa-M(OAc)[sub 2] where M is selected from the group consisting of Ni, Pd, and Co and R is a lower alkyl group containing 1-6 carbon atoms. This catalyst is preferably used alone but is also effective in combination with a metal carbonyl of a group VI (Mo, Cr, W) metal. The preferred catalyst precursor is NiC (where M = Ni and R = tertiary amyl). Mo(CO)[sub 6] is the preferred metal carbonyl if such component is used. The catalyst is subjected to a conditioning or activating step under temperature and pressure, similar to the parameters given above, to afford the active catalyst.

  8. {gamma}-aminobutyric acid{sub A} (GABA{sub A}) receptor regulates ERK1/2 phosphorylation in rat hippocampus in high doses of Methyl Tert-Butyl Ether (MTBE)-induced impairment of spatial memory

    SciTech Connect (OSTI)

    Zheng Gang; Zhang Wenbin; Zhang Yun; Chen Yaoming; Liu Mingchao; Yao Ting; Yang Yanxia; Zhao Fang; Li Jingxia; Huang Chuanshu; Luo Wenjing Chen Jingyuan

    2009-04-15

    Experimental and occupational exposure to Methyl Tert-Butyl Ether (MTBE) has been reported to induce neurotoxicological and neurobehavioral effects, such as headache, nausea, dizziness, and disorientation, etc. However, the molecular mechanisms involved in MTBE-induced neurotoxicity are still not well understood. In the present study, we investigated the effects of MTBE on spatial memory and the expression and function of GABA{sub A} receptor in the hippocampus. Our results demonstrated that intraventricular injection of MTBE impaired the performance of the rats in a Morris water maze task, and significantly increased the expression of GABA{sub A} receptor {alpha}1 subunit in the hippocampus. The phosphorylation of ERK1/2 decreased after the MTBE injection. Furthermore, the decreased ability of learning and the reduction of phosphorylated ERK1/2 level of the MTBE-treated rats was partly reversed by bicuculline injected 30 min before the training. These results suggested that MTBE exposure could result in impaired spatial memory. GABA{sub A} receptor may play an important role in the MTBE-induced impairment of learning and memory by regulating the phosphorylation of ERK in the hippocampus.

  9. Impact of Renewable Fuels Standard/MTBE Provisions of S. 1766

    Reports and Publications (EIA)

    2002-01-01

    This service report addresses the Renewable Fuels Standard (RFS)/methyl tertiary butyl ether (MTBE) provisions of S. 1766. The 'S. 1766' Case reflects provisions of S. 1766 including a renewable fuels standard (RFS) reaching five billion gallons by 2012, a complete phase-out of MTBE within four years, and the option for states to waive the oxygen requirement for reformulated gasoline (RFG).

  10. Eliminating MTBE in Gasoline in 2006

    Reports and Publications (EIA)

    2006-01-01

    A review of the market implications resulting from the rapid change from methyl tertiary butyl ether (MTBE) to ethanol-blended reformulated gasoline (RFG) on the East Coast and in Texas. Strains in ethanol supply and distribution will increase the potential for price volatility in these regions this summer.

  11. Status and Impacts of State MTBE Bans

    Reports and Publications (EIA)

    2003-01-01

    This paper describes legislation passed in 16 states banning or restricting the use of methyl tertiary butyl ether (MTBE) in gasoline. Analysis of the status and impact of these state MTBE bans is provided concerning the supply and potential price changes of gasoline.

  12. U.S. Oxygenate Production

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    By: Product Area May-15 Jun-15 Jul-15 Aug-15 Sep-15 Oct-15 View History Fuel Ethanol 29,666 29,684 30,256 29,621 28,543 30,139 1981-2015 Methyl Tertiary Butyl Ether (MTBE) 1,634...

  13. Motor Gasoline Outlook and State MTBE Bans

    Reports and Publications (EIA)

    2003-01-01

    The U.S. is beginning the summer 2003 driving season with lower gasoline inventories and higher prices than last year. Recovery from this tight gasoline market could be made more difficult by impending state bans on the blending of methyl tertiary butyl ether (MTBE) into gasoline that are scheduled to begin later this year.

  14. THE SEARCH FOR A COMPLEX MOLECULE IN A SELECTED HOT CORE REGION: A RIGOROUS ATTEMPT TO CONFIRM TRANS-ETHYL METHYL ETHER TOWARD W51 e1/e2

    SciTech Connect (OSTI)

    Carroll, P. Brandon; McGuire, Brett A.; Blake, Geoffrey A.; Apponi, A. J.; Ziurys, L. M.; Remijan, Anthony

    2015-01-20

    An extensive search has been conducted to confirm transitions of trans-ethyl methyl ether (tEME, C{sub 2}H{sub 5}OCH{sub 3}), toward the high-mass star forming region W51 e1/e2 using the 12 m Telescope of the Arizona Radio Observatory at wavelengths from 2 mm and 3 mm. In short, we cannot confirm the detection of tEME toward W51 e1/e2 and our results call into question the initial identification of this species by Fuchs et al. Additionally, re-evaluation of the data from the original detection indicates that tEME is not present toward W51 e1/e2 in the abundance reported by Fuchs and colleagues. Typical peak-to-peak noise levels for the present observations of W51 e1/e2 were between 10 and 30 mK, yielding an upper limit of the tEME column density of ≤1.5 × 10{sup 15} cm{sup –2}. This would make tEME at least a factor of two times less abundant than dimethyl ether (CH{sub 3}OCH{sub 3}) toward W51 e1/e2. We also performed an extensive search for this species toward the high-mass star forming region Sgr B2(N-LMH) with the National Radio Astronomy Observatory 100 m Green Bank Telescope. No transitions of tEME were detected and we were able to set an upper limit to the tEME column density of ≤4 × 10{sup 14} cm{sup –2} toward this source. Thus, we are able to show that tEME is not a new molecular component of the interstellar medium and that an exacting assessment must be carried out when assigning transitions of new molecular species to astronomical spectra to support the identification of large organic interstellar molecules.

  15. FCC LPG olefinicity and branching enhanced by octane catalysts

    SciTech Connect (OSTI)

    Keyworth, D.A.; Reid, T.A.; Kreider, K.R.; Yatsu, C.A.

    1989-05-29

    Refiners are increasingly recognizing the downstream opportunities for fluid catalytic cracking LPG olefins for the production of methyl tertiary butyl ether (MTBE), ethyl tertiary butyl ether (ETBE, if the ethanol subsidy is extended to the production of ETBE), and as petrochemical feedstocks. Some of new gasoline FCC octane-enhancing catalysts can support those opportunities because their low non-framework alumina (low NFA) preserve both LPG olefinicity and promote branching of the LPG streams from the FCCU. The combined effect results in more isobutane for alkylate feed, more propylene in the propane/propylene stream, and more isobutene - which makes the addition of an MTBE unit very enticing.

  16. Total Crude Oil and Petroleum Products Exports

    U.S. Energy Information Administration (EIA) Indexed Site

    Exports Product: Total Crude Oil and Petroleum Products Crude Oil Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquefied Petroleum Gases Ethane/Ethylene Propane/Propylene Normal Butane/Butylene Isobutane/Isobutylene Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Biomass-Based Diesel Unfinished Oils Naphthas and Lighter

  17. Total Crude Oil and Petroleum Products Imports by Area of Entry

    U.S. Energy Information Administration (EIA) Indexed Site

    by Area of Entry Product: Total Crude Oil and Petroleum Products Crude Oil Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquefied Petroleum Gases Ethane Ethylene Propane Propylene Normal Butane Butylene Isobutane Isobutylene Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Biomass-Based Diesel Fuel Other Renewable Diesel Fuel

  18. Total number of slots consumed in long_excl.q (exclusive nodes) will be

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Product: Total Crude Oil and Petroleum Products Crude Oil Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquefied Petroleum Gases Ethane/Ethylene Propane/Propylene Normal Butane/Butylene Isobutane/Isobutylene Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Biomass-Based Diesel Unfinished Oils Naphthas and Lighter Kerosene and

  19. MTEM Map

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    MTBE Production Economics Tancred C. M. Lidderdale Contents 1. Summary 2. MTBE Production Costs 3. Relationship between price of MTBE and Reformulated Gasoline 4. Influence of Natural Gas Prices on the Gasoline Market 5. Regression Results 6. Data Sources 7. End Notes 1. Summary Last year the price of MTBE (methyl tertiary butyl ether) increased dramatically on two occasions (Figure 1) (see Data Sources at end of article.): 1. Between April and June 2000, the price (U.S. Gulf Coast waterborne

  20. Update of Summer Reformulated Gasoline Supply Assessment for New York and Connecticut

    Reports and Publications (EIA)

    2004-01-01

    In October 2003, the Energy Information Administration (EIA) published a review of the status of the methyl tertiary butyl ether (MTBE) ban transition in New York (NY) and Connecticut (CT) that noted significant uncertainties in gasoline supply for those states for the summer of 2004. To obtain updated information, EIA spoke to major suppliers to the two states over the past several months as the petroleum industry began the switch from winter- to summer-grade gasoline.

  1. Property:CapRockAge | Open Energy Information

    Open Energy Info (EERE)

    Amedee Geothermal Area + Tertiary + B Beowawe Hot Springs Geothermal Area + Tertiary + Brady Hot Springs Geothermal Area + Tertiary + D Desert Peak Geothermal Area + Tertiary + G...

  2. Thermodynamic properties and ideal-gas enthalpies of formation for butyl vinyl ether, 1,2-dimethoxyethane, methyl glycolate, bicyclo[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, di-tert-butyl ether, and hexane-1,6-diol

    SciTech Connect (OSTI)

    Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.

    1996-11-01

    Ideal-gas enthalpies of formation of butyl vinyl ether, 1,2-dimethoxyethane, methyl glycolate, bicyclo-[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, di-tert-butyl ether, and hexane-1,6-diol are reported. Enthalpies of fusion were determined for bicyclo[2.2.1]hept-2-ene and trans-azobenzene. Two-phase (solid + vapor) or (liquid + vapor) heat capacities were determined from 300 K to the critical region or earlier decomposition temperature for each compound studied. Liquid-phase densities along the saturation line were measured for bicyclo[2.2.1]hept-2-ene. For butyl vinyl ether and 1,2-dimethoxyethane, critical temperatures and critical densities were determined from the dsc results and corresponding critical pressures derived from the fitting procedures. Fitting procedures were used to derive critical temperatures, critical pressures, and critical densities for bicyclo[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, and di-tert-butyl ether. Group-additivity parameters or ring-correction terms useful in the application of the Benson group-contribution correlations were derived.

  3. An example of regioselective esterification by intramolecular acyl transfer from a tertiary amine

    SciTech Connect (OSTI)

    Waddell, T.G.; Rambalakos, T.; Christie, K.R. )

    1990-07-20

    Despite the fact that the famous antimarlarial quinine (1) has been known for 170 years, there is still considerable interest in its chemical and biological properties. Much of the most recent attention is due to the utility of quinine as a chiral resolving agent and catalyst. Important and new chemistry of quinine may yet be discovered. To this point, the authors became interested in constructing quinine derivatives which have built into their structures electrophilic centers which might make covalent bonds with cellular protein or nucleic acid nucleophilic sites. In order to preserve the noncovalent binding properties of quinine, functionalization and derivatization of the remote vinyl group were desired. In an esterification step of the derivatization, a structurally hindered ester was formed, to our surprise. The mechanism for this regioselective reaction are discussed.

  4. Tertiary nitrogen heterocyclic material to reduce moisture-induced damage in asphalt-aggregate mixtures

    DOE Patents [OSTI]

    Plancher, Henry; Petersen, Joseph C.

    1982-01-01

    Asphalt-aggregate roads crack when subjected to freezing and thawing cycles. Herein, the useful life of asphalts are substantially improved by a minor amount of a moisture damage inhibiting agent selected from compounds having a pyridine moiety, including acid salts of such compounds. A shale oil fraction may serve as the source of the improving agent and may simply be blended with conventional petroleum asphalts.

  5. Synthesis and crystal structure studies of ethyl 5-methyl-1,...

    Office of Scientific and Technical Information (OSTI)

    investigated by single crystal X-ray diffraction method. It crystallizes in monoclinic class under the space group P2sub 1c with cell parameters a 8.4593(4) , b15.6284(6)...

  6. Total and methyl mercury in selected Great Lakes tributaries

    SciTech Connect (OSTI)

    Hurley, J.P.; Cowell, S.E.; Shafer, M.M.

    1995-12-31

    Eleven Lake Michigan tributaries were chosen to investigate the effects of chemical and physical conditions in rivers on mercury partitioning and transport. Preliminary results from 1994 indicate that mean unfiltered Hg{sub T} ranged from about 1-2 ng L{sup -1} in the Manistique and Muskegon R. to 10-30 ng L{sup -1} in the St. Joseph and Fox R. Highest Hg{sub T} fluxes were generally associated with increased particle loads. Preliminary estimates from a subset of Lake Michigan tributaries also suggest that methylmercury loading from riverine inputs may be important. Additional work on 19 Lake Superior tributaries in Spring 1993 reveal that MeHg and DOC are correlated. Results from these tributaries are consistent with our {open_quotes}Background Trace Metals in Wisconsin Rivers{close_quotes} study, where greater yields of Hg{sub T} were observed with increased particle loading and elevated MeHg yields were observed from watersheds with significant forest and wetland regions.

  7. Lithium Methyl Carbonate as a Reaction Product of Metallic Lithiumand...

    Office of Scientific and Technical Information (OSTI)

    Visit OSTI to utilize additional information resources in energy science and technology. A ... Sponsoring Org: USDOE. Assistant Secretary for Energy Efficiency andRenewable Energy. ...

  8. Substantial improvements in methyl ketone production in E. coli...

    Office of Scientific and Technical Information (OSTI)

    Additional Journal Information: Journal Volume: 26; Journal Issue: C; Journal ID: ISSN 1096-7176 Publisher: Elsevier Sponsoring Org: USDOE Office of Science (SC), Biological and ...

  9. Synthesis of 6-Methyl-9-propyldibenzothiophene-4-ol

    SciTech Connect (OSTI)

    Eisenbraun, E.J.

    1991-02-15

    The synthesis route for preparing the title compound, has been carried out on a small scale for the preparation of a mixture of isomers. Alternative routes for the cyclization are being explored. (DLC)

  10. Determination of Total Lipids as Fatty Acid Methyl Esters (FAME...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Storage of samples should ideally be in an inert (nitrogen) atmosphere and at least at -20C. 10. Procedure 10.1 Preparation of the samples for transesterification 10.1.1 Label ...

  11. Oxygenate Supply/Demand Balances in the Short-Term Integrated Forecasting Model (Released in the STEO March 1998)

    Reports and Publications (EIA)

    1998-01-01

    The blending of oxygenates, such as fuel ethanol and methyl tertiary butyl ether (MTBE), into motor gasoline has increased dramatically in the last few years because of the oxygenated and reformulated gasoline programs. Because of the significant role oxygenates now have in petroleum product markets, the Short-Term Integrated Forecasting System (STIFS) was revised to include supply and demand balances for fuel ethanol and MTBE. The STIFS model is used for producing forecasts in the Short-Term Energy Outlook. A review of the historical data sources and forecasting methodology for oxygenate production, imports, inventories, and demand is presented in this report.

  12. MTBE, Oxygenates, and Motor Gasoline (Released in the STEO October 1999)

    Reports and Publications (EIA)

    1999-01-01

    The blending of methyl tertiary butyl ether (MTBE) into motor gasoline has increased dramatically since it was first produced 20 years ago. MTBE usage grew in the early 1980's in response to octane demand resulting initially from the phaseout of lead from gasoline and later from rising demand for premium gasoline. The oxygenated gasoline program stimulated an increase in MTBE production between 1990 and 1994. MTBE demand increased from 83,000 in 1990 to 161,000 barrels per day in 1994. The reformulated gasoline (RFG) program provided a further boost to oxygenate blending. The MTBE contained in motor gasoline increased to 269,000 barrels per day by 1997.

  13. Table 10.5 Estimated Number of Alternative-Fueled Vehicles in Use and Fuel Consumption, 1992-2010

    U.S. Energy Information Administration (EIA) Indexed Site

    Estimated Number of Alternative-Fueled Vehicles in Use and Fuel Consumption, 1992-2010 Year Alternative and Replacement Fuels 1 Liquefied Petroleum Gases Compressed Natural Gas Liquefied Natural Gas Methanol, 85 Percent (M85) 3 Methanol, Neat (M100) 4 Ethanol, 85 Percent (E85) 3,5 Ethanol, 95 Percent (E95) 3 Elec- tricity 6 Hydro- gen Other Fuels 7 Subtotal Oxygenates 2 Bio- diesel 10 Total Methyl Tertiary Butyl Ether 8 Ethanol in Gasohol 9 Total Alternative-Fueled Vehicles in Use 11

  14. Word Pro - Untitled1

    U.S. Energy Information Administration (EIA) Indexed Site

    1 Table 10.5 Estimated Number of Alternative-Fueled Vehicles in Use and Fuel Consumption, 1992-2010 Year Alternative and Replacement Fuels 1 Liquefied Petroleum Gases Compressed Natural Gas Liquefied Natural Gas Methanol, 85 Percent (M85) 3 Methanol, Neat (M100) 4 Ethanol, 85 Percent (E85) 3,5 Ethanol, 95 Percent (E95) 3 Elec- tricity 6 Hydro- gen Other Fuels 7 Subtotal Oxygenates 2 Bio- diesel 10 Total Methyl Tertiary Butyl Ether 8 Ethanol in Gasohol 9 Total Alternative-Fueled Vehicles in Use

  15. pH-sensitive methacrylic copolymer gels and the production thereof

    DOE Patents [OSTI]

    Mallapragada, Surya K.; Anderson, Brian C.

    2007-05-15

    The present invention provides novel gel forming methacrylic blocking copolymers that exhibit cationic pH-sensitive behavior as well as good water solubility. The copolymers are constructed by polymerization of a tertiary amine methacrylate with either a (poly(ethylene oxide)-b-poly(propylene oxide)-b-poly(ethylene oxide) polymer, such as the commercially available Pluronic.RTM. polymers, or a poly(ethylene glycol)methyl ether polymer. The polymers may be used for drug and gene delivery, protein separation, as structural supplements, and more.

  16. California's Move Toward E10 (released in AEO2009)

    Reports and Publications (EIA)

    2009-01-01

    In Annual Energy Outlook 2009, (AEO) E10a gasoline blend containing 10% ethanolis assumed to be the maximum ethanol blend allowed in California erformulated gasoline (RFG), as opposed to the 5.7% blend assumed in earlier AEOs. The 5.7% blend had reflected decisions made when California decided to phase out use of the additive methyl tertiary butyl ether in its RFG program in 2003, opting instead to use ethanol in the minimum amount that would meet the requirement for 2.0% oxygen content under the Clean Air Act provisions in effect at that time.

  17. Injectible bodily prosthetics employing methacrylic copolymer gels

    DOE Patents [OSTI]

    Mallapragada, Surya K.; Anderson, Brian C.

    2007-02-27

    The present invention provides novel block copolymers as structural supplements for injectible bodily prosthetics employed in medical or cosmetic procedures. The invention also includes the use of such block copolymers as nucleus pulposus replacement materials for the treatment of degenerative disc disorders and spinal injuries. The copolymers are constructed by polymerization of a tertiary amine methacrylate with either a (poly(ethylene oxide)-b-poly(propylene oxide)-b-poly(ethylene oxide) polymer, such as the commercially available Pluronic.RTM. polymers, or a poly(ethylene glycol) methyl ether polymer.

  18. Increased Oil Production and Reserves Utilizing Secondary/Tertiary Recovery Techniques on Small Reservoirs in the Paradox Basin, Utah

    SciTech Connect (OSTI)

    Allison, M. Lee; Chidsey, Jr., Thomas

    1999-11-03

    The primary objective of this project is to enhance domestic petroleum production by demonstration and technology transfer of an advanced oil recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to about 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million bbl of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon dioxide-(CO-) flood 2 project. The field demonstration, monitoring of field performance, and associated validation activities will take place in the Paradox basin within the Navajo Nation. The results of this project will be transferred to industry and other researchers through a petroleum extension service, creation of digital databases for distribution, technical workshops and seminars, field trips, technical presentations at national and regional professional meetings, and publication in newsletters and various technical or trade journals.

  19. Increased Oil Production and Reserves Utilizing Secondary/Tertiary Recovery Techniques on Small Reservoirs in the Paradox Basin, Utah

    SciTech Connect (OSTI)

    Chidsey Jr., Thomas C.

    2003-02-06

    The primary objective of this project was to enhance domestic petroleum production by field demonstration and technology transfer of an advanced-oil-recovery technology in the Paradox Basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox Basin alone, and result in increased recovery of 150 to 200 million barrels (23,850,000-31,800,000 m3) of oil. This project was designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon-dioxide-(CO2-) miscible flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place within the Navajo Nation, San Juan County, Utah.

  20. Increased Oil Production and Reserves Utilizing Secondary/Tertiary Recovery Techniques on Small Reservoirs in the Paradox Basin, Utah.

    SciTech Connect (OSTI)

    Chidsey, T.C. Jr.; Lorenz, D.M.; Culham, W.E.

    1997-10-15

    The primary objective of this project is to enhance domestic petroleum production by demonstration and technology transfer of an advanced oil recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon dioxide- (CO{sub 2}-) flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place in the Paradox basin within the Navajo Nation. The results of this project will be transferred to industry and other researchers through a petroleum extension service, creation of digital databases for distribution, technical workshops and seminars, field trips, technical presentations at national and regional professional meetings, and publication in newsletters and various technical or trade journals.

  1. INCREASED OIL PRODUCTION AND RESERVES UTILIZING SECONDARY/TERTIARY RECOVERY TECHNIQUES ON SMALL RESERVOIRS IN THE PARADOX BASIN, UTAH

    SciTech Connect (OSTI)

    Thomas C. Chidsey, Jr.

    2002-11-01

    The Paradox Basin of Utah, Colorado, and Arizona contains nearly 100 small oil fields producing from shallow-shelf carbonate buildups or mounds within the Desert Creek zone of the Pennsylvanian (Desmoinesian) Paradox Formation. These fields typically have one to four wells with primary production ranging from 700,000 to 2,000,000 barrels (111,300-318,000 m{sup 3}) of oil per field at a 15 to 20 percent recovery rate. Five fields in southeastern Utah were evaluated for waterflood or carbon-dioxide (CO{sub 2})-miscible flood projects based upon geological characterization and reservoir modeling. Geological characterization on a local scale focused on reservoir heterogeneity, quality, and lateral continuity as well as possible compartmentalization within each of the five project fields. The Desert Creek zone includes three generalized facies belts: (1) open-marine, (2) shallow-shelf and shelf-margin, and (3) intra-shelf, salinity-restricted facies. These deposits have modern analogs near the coasts of the Bahamas, Florida, and Australia, respectively, and outcrop analogs along the San Juan River of southeastern Utah. The analogs display reservoir heterogeneity, flow barriers and baffles, and lithofacies geometry observed in the fields; thus, these properties were incorporated in the reservoir simulation models. Productive carbonate buildups consist of three types: (1) phylloid algal, (2) coralline algal, and (3) bryozoan. Phylloid-algal buildups have a mound-core interval and a supra-mound interval. Hydrocarbons are stratigraphically trapped in porous and permeable lithotypes within the mound-core intervals of the lower part of the buildups and the more heterogeneous supramound intervals. To adequately represent the observed spatial heterogeneities in reservoir properties, the phylloid-algal bafflestones of the mound-core interval and the dolomites of the overlying supra-mound interval were subdivided into ten architecturally distinct lithotypes, each of which exhibits a characteristic set of reservoir properties obtained from outcrop analogs, cores, and geophysical logs. The Anasazi and Runway fields were selected for geostatistical modeling and reservoir compositional simulations. Models and simulations incorporated variations in carbonate lithotypes, porosity, and permeability to accurately predict reservoir responses. History matches tied previous production and reservoir pressure histories so that future reservoir performances could be confidently predicted. The simulation studies showed that despite most of the production being from the mound-core intervals, there were no corresponding decreases in the oil in place in these intervals. This behavior indicates gravity drainage of oil from the supra-mound intervals into the lower mound-core intervals from which the producing wells' major share of production arises. The key to increasing ultimate recovery from these fields (and similar fields in the basin) is to design either waterflood or CO{sub 2}-miscible flood projects capable of forcing oil from high-storage-capacity but low-recovery supra-mound units into the high-recovery mound-core units. Simulation of Anasazi field shows that a CO{sub 2} flood is technically superior to a waterflood and economically feasible. For Anasazi field, an optimized CO{sub 2} flood is predicted to recover a total 4.21 million barrels (0.67 million m3) of oil representing in excess of 89 percent of the original oil in place. For Runway field, the best CO{sub 2} flood is predicted to recover a total of 2.4 million barrels (0.38 million m3) of oil representing 71 percent of the original oil in place. If the CO{sub 2} flood performed as predicted, it is a financially robust process for increasing the reserves in the many small fields in the Paradox Basin. The results can be applied to other fields in the Rocky Mountain region, the Michigan and Illinois Basins, and the Midcontinent.

  2. Fission track thermochronologic constraints on the timing and nature of major Middle Tertiary extension, Ruby Mountains - East Humboldt Range, Nevada

    SciTech Connect (OSTI)

    Dokka, R.K.; Mahaffie, M.J.; Snoke, A.W.

    1985-01-01

    Fission Track (FT) apatite, zircon, and sphene ages were determined from both mylonitic and non-mylonitic rocks of the Ruby Mountains-East Humboldt Range metamorphic core complex. The analyzed sample suite included various mylonitic orthogneisses as well as amphibolitic orthogneisses from the non-mylonitic infrastructural core. Porphyritic biotite granodiorite of the Oligocene Harrison Pass pluton was also dated. FT ages are concordant and range in age from 27 - 24 Ma. These dates reflect rapid cooling of the lower plate from temperatures above 250/sup 0/C to below 100/sup 0/C during the early Miocene. The general concordance of the FT dates with /sup 40/Ar//sup 39/Ar biotite and hornblende plateau ages from the same sample suite suggest an even more pronounced cooling history. This rapid cooling history is considered to reflect large-scale tectonic denudation (intracrustal thinning), a manifestation of intense crustal extension. Mylonitic rocks that originally formed along ductile shear zones in the middle crust (10-15 km) were quickly brought near the surface and juxtaposed against brittly distended rocks deformed under upper crustal conditions. FT data firmly establish the upper age limit on the timing of mylonitization during the shear zone deformation. This rapid cooling interval also coincides with the inferred age of extensive landscape disruption and the development of an alluvial fan-lacustrine system which included the periodic emplacement of landslide deposits (megabreccias).

  3. Solvent-extraction and purification of uranium(VI) and molybdenum(VI) by tertiary amines from acid leach solutions

    SciTech Connect (OSTI)

    La Gamma, Ana M.G.; Becquart, Elena T.; Chocron, Mauricio

    2008-07-01

    Considering international interest in the yellow-cake price, Argentina is seeking to exploit new uranium ore bodies and processing plants. A study of similar plants would suggest that solvent- extraction with Alamine 336 is considered the best method for the purification and concentration of uranium present in leaching solutions. In order to study the purification of these leach liquors, solvent-extraction tests under different conditions were performed with simulated solutions which containing molybdenum and molybdenum-uranium mixtures. Preliminary extraction tests carried out on mill acid-leaching liquors are also presented. (authors)

  4. Increased Oil Production and Reserves Utilizing Secondary/Tertiary Recovery Techniques on Small Reservoirs in the Paradox Basin, Utah

    SciTech Connect (OSTI)

    Jr., Chidsey, Thomas C.; Allison, M. Lee

    1999-11-02

    The primary objective of this project is to enhance domestic petroleum production by field demonstration and technology transfer of an advanced- oil-recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels (23,850,000-31,800,000 m3) of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon-dioxide-(CO2-) miscible flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place within the Navajo Nation, San Juan County, Utah.

  5. SOLVENT EXTRACTION PROCESS FOR PROTACTINIUM

    DOE Patents [OSTI]

    Hyde, E.K.; Katzin, L.I.; Wolf, M.J.

    1961-04-01

    A process is described for separating protactinium from thorium present together as the nitrates in a 0.1 to 10 N nitric acid solution. The separation is carried out by extraction with an aliphatic alcohol, ketone, and/or ester having at least six carbon atoms, such as n-amyl acetate, 2-ethyl hexanol, and diisopropyl ketone.

  6. PROCESS FOR THE CONCENTRATION OF ORES CONTAINING GOLD AND URANIUM

    DOE Patents [OSTI]

    Gaudin, A.M.; Dasher, J.

    1958-06-10

    ABS>A process is described for concentrating certain low grade uranium and gold bearing ores, in which the gangue is mainly quartz. The production of the concentrate is accomplished by subjecting the crushed ore to a froth floatation process using a fatty acid as a collector in conjunction with a potassium amyl xanthate collector. Pine oil is used as the frothing agent.

  7. Synthesis of 6-Methyl-9-n-propyldibenzothiophene-4-ol ammended to 6-Methyl-9-(1-methylethyl)-dibenzothiophene-4-ol

    SciTech Connect (OSTI)

    Not Available

    1992-02-28

    The material presented below is taken from Status Reports 15, 16 and 17 and covers the progress made toward the synthesis of the modified target molecules 9-isopropyl-4-methoxy-6 methyldibenzothiophene (13) and 9-isopropyl-6methyldibenzothiophene-4-ol (14).

  8. Aromatase imaging with [N-methyl-C-11]vorozole PET in healthy men and women

    SciTech Connect (OSTI)

    Biegon, Anat; Fowler, Joanna S.; Alexoff, David L.; Kim, Sung Won; Logan, Jean; Pareto, Deborah; Schlyer, David; Wang, Gene-Jack

    2015-02-19

    Aromatase, the last and obligatory enzyme catalyzing estrogen biosynthesis from androgenic precursors, can be labeled in vivo with C-vorozole. Aromatase inhibitors are widely used in breast cancer and other endocrine conditions. The present study aims to provide baseline information defining aromatase distribution in healthy men and women, against which its perturbation in pathological situations can be studied. Methods: C-vorozole (111-296 MBq/subject) was injected I.V in 13 men and 20 women (age range 23 to 67). PET data were acquired over a 90 minute period. Each subject had 4 scans, 2/day separated by 2-6 weeks, including brain and torso or pelvis scans. Young women were scanned at 2 discrete phases of the menstrual cycle (midcycle and late luteal). Men and postmenopausal women were also scanned following pretreatment with a clinical dose of the aromatase inhibitor letrozole (blocking studies). Time activity curves were obtained and standard uptake values (SUV) calculated for major organs including brain, heart, lungs, liver, kidneys, spleen, muscle, bone and male and female reproductive organs (penis, testes, uterus, ovaries). Organ and whole body radiation exposures were calculated using Olinda software. Results: Liver uptake was higher than all other organs, but was not blocked by pretreatment with letrozole. Mean SUVs in men were higher than in women, and brain uptake was blocked by letrozole. Male brain SUVs were also higher than all other organs (ranging from 0.480.05 in lungs to 1.50.13 in kidneys). Mean ovarian SUVs (3.080.7) were comparable to brain levels and higher than all other organs. Furthermore, ovarian SUVs In young women around the time of ovulation (midcycle) were significantly higher than those measured in the late luteal phase, while aging and cigarette smoking reduced C-vorozole uptake. Conclusions: PET with C-vorozole is useful for assessing physiological changes in estrogen synthesis capacity in the human body. Baseline levels in breasts, lungs and bones are low, supporting further investigation of this tracer as a new tool for detection of aromatase-overexpressing primary tumors or metastases in these organs and optimization of treatment in cancer and other disorders in which aromatase inhibitors are useful.

  9. Effect of Unburned Methyl Esters on the NOx Conversion of Fe-Zeolite SCR Catalyst

    SciTech Connect (OSTI)

    Williams, A.; Ratcliff, M.; Pedersen, D.; McCormick, R.; Cavataio, G.; Ura, J.

    2010-03-01

    Engine and flow reactor experiments were conducted to determine the impact of biodiesel relative to ultra-low-sulfur diesel (ULSD) on inhibition of the selective catalytic reduction (SCR) reaction over an Fe-zeolite catalyst. Fe-zeolite SCR catalysts have the ability to adsorb and store unburned hydrocarbons (HC) at temperatures below 300 C. These stored HCs inhibit or block NO{sub x}-ammonia reaction sites at low temperatures. Although biodiesel is not a hydrocarbon, similar effects are anticipated for unburned biodiesel and its organic combustion products. Flow reactor experiments indicate that in the absence of exposure to HC or B100, NO{sub x} conversion begins at between 100 and 200 C. When exposure to unburned fuel occurs at higher temperatures (250-400 C), the catalyst is able to adsorb a greater mass of biodiesel than of ULSD. Experiments show that when the catalyst is masked with ULSD, NO{sub x} conversion is inhibited until it is heated to 400 C. However, when masked with biodiesel, NO{sub x} conversion is observed to begin at temperatures as low as 200 C. Engine test results also show low-temperature recovery from HC storage. Engine tests indicate that, overall, the SCR system has a faster recovery from HC masking with biodiesel. This is at least partially due to a reduction in exhaust HCs, and thus total HC exposure with biodiesel.

  10. Aromatase imaging with [N-methyl-C-11]vorozole PET in healthy men and women

    SciTech Connect (OSTI)

    Biegon, Anat; Fowler, Joanna S.; Alexoff, David L.; Kim, Sung Won; Logan, Jean; Pareto, Deborah; Schlyer, David; Wang, Gene-Jack

    2015-02-19

    Aromatase, the last and obligatory enzyme catalyzing estrogen biosynthesis from androgenic precursors, can be labeled in vivo with ¹¹C-vorozole. Aromatase inhibitors are widely used in breast cancer and other endocrine conditions. The present study aims to provide baseline information defining aromatase distribution in healthy men and women, against which its perturbation in pathological situations can be studied. Methods: ¹¹C-vorozole (111-296 MBq/subject) was injected I.V in 13 men and 20 women (age range 23 to 67). PET data were acquired over a 90 minute period. Each subject had 4 scans, 2/day separated by 2-6 weeks, including brain and torso or pelvis scans. Young women were scanned at 2 discrete phases of the menstrual cycle (midcycle and late luteal). Men and postmenopausal women were also scanned following pretreatment with a clinical dose of the aromatase inhibitor letrozole (“blocking” studies). Time activity curves were obtained and standard uptake values (SUV) calculated for major organs including brain, heart, lungs, liver, kidneys, spleen, muscle, bone and male and female reproductive organs (penis, testes, uterus, ovaries). Organ and whole body radiation exposures were calculated using Olinda software. Results: Liver uptake was higher than all other organs, but was not blocked by pretreatment with letrozole. Mean SUVs in men were higher than in women, and brain uptake was blocked by letrozole. Male brain SUVs were also higher than all other organs (ranging from 0.48±0.05 in lungs to 1.5±0.13 in kidneys). Mean ovarian SUVs (3.08±0.7) were comparable to brain levels and higher than all other organs. Furthermore, ovarian SUVs In young women around the time of ovulation (midcycle) were significantly higher than those measured in the late luteal phase, while aging and cigarette smoking reduced ¹¹C-vorozole uptake. Conclusions: PET with ¹¹C-vorozole is useful for assessing physiological changes in estrogen synthesis capacity in the human body. Baseline levels in breasts, lungs and bones are low, supporting further investigation of this tracer as a new tool for detection of aromatase-overexpressing primary tumors or metastases in these organs and optimization of treatment in cancer and other disorders in which aromatase inhibitors are useful.

  11. Arsenic methylation and lung and bladder cancer in a case-control study in northern Chile

    SciTech Connect (OSTI)

    Melak, Dawit; Ferreccio, Catterina; Kalman, David; Parra, Roxana; Acevedo, Johanna; Pérez, Liliana; Cortés, Sandra; Smith, Allan H.; Yuan, Yan; Liaw, Jane; Steinmaus, Craig

    2014-01-15

    In humans, ingested inorganic arsenic is metabolized to monomethylarsenic (MMA) then to dimethylarsenic (DMA), although this process is not complete in most people. The trivalent form of MMA is highly toxic in vitro and previous studies have identified associations between the proportion of urinary arsenic as MMA (%MMA) and several arsenic-related diseases. To date, however, relatively little is known about its role in lung cancer, the most common cause of arsenic-related death, or about its impacts on people drinking water with lower arsenic concentrations (e.g., < 200 μg/L). In this study, urinary arsenic metabolites were measured in 94 lung and 117 bladder cancer cases and 347 population-based controls from areas in northern Chile with a wide range of drinking water arsenic concentrations. Lung cancer odds ratios adjusted for age, sex, and smoking by increasing tertiles of %MMA were 1.00, 1.91 (95% confidence interval (CI), 0.99–3.67), and 3.26 (1.76–6.04) (p-trend < 0.001). Corresponding odds ratios for bladder cancer were 1.00, 1.81 (1.06–3.11), and 2.02 (1.15–3.54) (p-trend < 0.001). In analyses confined to subjects only with arsenic water concentrations < 200 μg/L (median = 60 μg/L), lung and bladder cancer odds ratios for subjects in the upper tertile of %MMA compared to subjects in the lower two tertiles were 2.48 (1.08–5.68) and 2.37 (1.01–5.57), respectively. Overall, these findings provide evidence that inter-individual differences in arsenic metabolism may be an important risk factor for arsenic-related lung cancer, and may play a role in cancer risks among people exposed to relatively low arsenic water concentrations. - Highlights: • Urine arsenic metabolites were measured in cancer cases and controls from Chile. • Higher urine %MMA values were associated with increased lung and bladder cancer. • %MMA-cancer associations were seen at drinking water arsenic levels < 200 μg/L.

  12. Photodetachment and electron reactivity in 1-methyl-1-butyl-pyrrolidinium bis(trifluoromethylsulfonyl)amide

    SciTech Connect (OSTI)

    Molins i Domenech, Francesc; FitzPatrick, Benjamin; Healy, Andrew T.; Blank, David A.

    2012-07-21

    The transient absorption spectrum in the range 500 nm-1000 nm was measured with ultrafast time resolution on a flowing neat, aliphatic, room-temperature ionic liquid following anion photodetachment. In this region the spectrum was shown to be a combination of absorption from the electron and the hole. Spectrally-resolved electron quenching determined a bimodal shape for the hole spectrum in agreement with recent computational predictions on a smaller aliphatic ionic liquid [Margulis et al., J. Am. Chem. Soc. 133, 20186 (2011)]. For time delays beyond 15 ps, spectral evolution qualitatively agrees with recent radiolysis experiments [Wishart et al., Faraday Discuss. 154, 353 (2012)]. However, the shape of the spectrum is different, reflecting the contrast in ionization energy between the two methods. Previously unobserved reactivity of the electron was found with a time constant of 300 fs. The results demonstrate solvent control of the rate coefficient for reaction between the electron and proton, with a rapid decline in the rate within the first picosecond.

  13. Type II restriction-modification system methylation subunit of Alicyclobacillus acidocaldarius

    DOE Patents [OSTI]

    Lee, Brady D; Newby, Deborah T; Lacey, Jeffrey A; Thompson, David N; Thompson, Vicki S; Apel, William A; Roberto, Francisco F; Reed, David W

    2013-10-29

    Isolated and/or purified polypeptides and nucleic acid sequences encoding polypeptides from Alicyclobacillus acidocaldarius are provided. Further provided are methods for modulating or altering recombination inside or outside of a cell using isolated and/or purified polypeptides and/or nucleic acid sequences from Alicyclobacillus acidocaldarius.

  14. Type II restriction-modification system methylation subunit of Alicyclobacillus acidocaldarius

    DOE Patents [OSTI]

    Lee, Brady D; Newby, Deborah T; Lacey, Jeffrey A; Thompson, David N; Thompson, Vicki S; Apel, William A; Roberto, Francisco F; Reed, David W

    2015-05-12

    Isolated and/or purified polypeptides and nucleic acid sequences encoding polypeptides from Alicyclobacillus acidocaldarius are provided. Further provided are methods for modulating or altering recombination inside or outside of a cell using isolated and/or purified polypeptides and/or nucleic acid sequences from Alicyclobacillus acidocaldarius.

  15. Phase 1 Methyl Iodide Deep-Bed Adsorption Tests (Technical Report...

    Office of Scientific and Technical Information (OSTI)

    Research on the capture of organic iodides has also been performed, but to a lesser extent Jubin 2012b. Several questions remain open regarding the capture of iodine bound in ...

  16. Aromatase imaging with [N-methyl-C-11]vorozole PET in healthy men and women

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Biegon, Anat; Fowler, Joanna S.; Alexoff, David L.; Kim, Sung Won; Logan, Jean; Pareto, Deborah; Schlyer, David; Wang, Gene-Jack

    2015-02-19

    Aromatase, the last and obligatory enzyme catalyzing estrogen biosynthesis from androgenic precursors, can be labeled in vivo with ¹¹C-vorozole. Aromatase inhibitors are widely used in breast cancer and other endocrine conditions. The present study aims to provide baseline information defining aromatase distribution in healthy men and women, against which its perturbation in pathological situations can be studied. Methods: ¹¹C-vorozole (111-296 MBq/subject) was injected I.V in 13 men and 20 women (age range 23 to 67). PET data were acquired over a 90 minute period. Each subject had 4 scans, 2/day separated by 2-6 weeks, including brain and torso or pelvismore » scans. Young women were scanned at 2 discrete phases of the menstrual cycle (midcycle and late luteal). Men and postmenopausal women were also scanned following pretreatment with a clinical dose of the aromatase inhibitor letrozole (“blocking” studies). Time activity curves were obtained and standard uptake values (SUV) calculated for major organs including brain, heart, lungs, liver, kidneys, spleen, muscle, bone and male and female reproductive organs (penis, testes, uterus, ovaries). Organ and whole body radiation exposures were calculated using Olinda software. Results: Liver uptake was higher than all other organs, but was not blocked by pretreatment with letrozole. Mean SUVs in men were higher than in women, and brain uptake was blocked by letrozole. Male brain SUVs were also higher than all other organs (ranging from 0.48±0.05 in lungs to 1.5±0.13 in kidneys). Mean ovarian SUVs (3.08±0.7) were comparable to brain levels and higher than all other organs. Furthermore, ovarian SUVs In young women around the time of ovulation (midcycle) were significantly higher than those measured in the late luteal phase, while aging and cigarette smoking reduced ¹¹C-vorozole uptake. Conclusions: PET with ¹¹C-vorozole is useful for assessing physiological changes in estrogen synthesis capacity in the human body. Baseline levels in breasts, lungs and bones are low, supporting further investigation of this tracer as a new tool for detection of aromatase-overexpressing primary tumors or metastases in these organs and optimization of treatment in cancer and other disorders in which aromatase inhibitors are useful.« less

  17. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox basin, Utah. Annual report, February 9, 1996--February 8, 1997

    SciTech Connect (OSTI)

    Chidsey, T.C. Jr.

    1997-08-01

    The Paradox basin of Utah, Colorado, and Arizona contains nearly 100 small oil fields producing from carbonate buildups or mounds within the Pennsylvanian (Desmoinesian) Paradox Formation. These fields typically have one to four wells with primary production ranging from 700,000 to 2,000,000 barrels of oil per field at a 15 to 20% recovery rate. At least 200 million barrels of oil is at risk of being unrecovered in these small fields because of inefficient recovery practices and undrained heterogeneous reservoirs. Five fields (Anasazi, Mule, Blue Hogan, Heron North, and Runway) within the Navajo Nation of southeastern Utah are being evaluated for waterflood or carbon-dioxide-miscible flood projects based upon geological characterization and reservoir modeling. The results can be applied to other fields in the Paradox basin and the Rocky Mountain region, the Michigan and Illinois basins, and the Midcontinent. The Anasazi field was selected for the initial geostatistical modeling and reservoir simulation. A compositional simulation approach is being used to model primary depletion, waterflood, and CO{sub 2}-flood processes. During this second year of the project, team members performed the following reservoir-engineering analysis of Anasazi field: (1) relative permeability measurements of the supra-mound and mound-core intervals, (2) completion of geologic model development of the Anasazi reservoir units for use in reservoir simulation studies including completion of a series of one-dimensional, carbon dioxide-displacement simulations to analyze the carbon dioxide-displacement mechanism that could operate in the Paradox basin system of reservoirs, and (3) completion of the first phase of the full-field, three-dimensional Anasazi reservoir simulation model, and the start of the history matching and reservoir performance prediction phase of the simulation study.

  18. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox basin, Utah. Technical progress report, April 1, 1995--June 30, 1995

    SciTech Connect (OSTI)

    Allison, M.L.

    1995-07-14

    The primary objective of this project is to enhance domestic petroleum production by demonstration and technology transfer of an advanced oil recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon dioxide-flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place in the Paradox basin within the Navajo Nation. The results of this project will be transferred to industry and other researchers through a petroleum extension service, creation of digital databases for distribution, technical workshops and seminars, field trips, technical presentations at national and regional professional meetings, and publication in newsletters and various technical or trade journals.

  19. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox basin, Utah. Annual report

    SciTech Connect (OSTI)

    Chidsey, T.C. Jr.

    1997-02-01

    The Paradox basin of Utah, Colorado, and Arizona contains nearly 100 small oil fields producing from carbonate buildups or mounds within the Pennsylvanian (Desmoinesian) Paradox Formation. These fields typically have one to four wells with primary production ranging from 700,000 to 2,000,000 barrels of oil per field at a 15 to 20% recovery rate. At least 200 million barrels of oil is at risk of being unrecovered in these small fields because of inefficient recovery practices and undrained heterogeneous reservoirs. Five fields (Anasazi, mule, Blue Hogan, heron North, and Runway) within the Navajo Nation of southeastern utah are being evaluated for waterflood or carbon-dioxide-miscible flood projects based upon geological characterization and reservoir modeling. The results can be applied to other fields in the Paradox basin and the Rocky Mountain region, the Michigan and Illinois basins, and the Midcontinent. The reservoir engineering component of the work completed to date included analysis of production data and well tests, comprehensive laboratory programs, and preliminary mechanistic reservoir simulation studies. A comprehensive fluid property characterization program was completed. Mechanistic reservoir production performance simulation studies were also completed.

  20. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox basin, Utah. Final technical progress report, October 1--December 31, 1995

    SciTech Connect (OSTI)

    Allison, M.L.

    1996-01-15

    The primary objective of this project is to enhance domestic petroleum production by demonstration and technology transfer of an advanced oil recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon dioxide-(CO{sub 2}) flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place in the Paradox basin within the Navajo Nation. The results of this project will be transferred to industry and other researchers through a petroleum extension service, creation of digital databases for distribution, technical workshops and seminars, field trips, technical presentations at national and regional professional meeting, and publication in newsletters and various technical or trade journals. Five activities continued this quarter as part of the geological and reservoir characterization of carbonate mound buildups in the Paradox basin: (1) regional facies evaluation, (2) evaluation of outcrop analogues, (3) field-scale geologic analysis, (4) reservoir analysis, and (5) technology transfer.

  1. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox basin, Utah. Technical progress report, July 1--September 30, 1995

    SciTech Connect (OSTI)

    Allison, M.L.

    1995-12-01

    The primary objective of this project is to enhance domestic petroleum production by demonstration and technology transfer of an advanced oil recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon dioxide-(CO{sub 2}-) flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place in the Paradox basin within the Navajo Nation. The results of this project will be transferred to industry and other researchers through a petroleum extension service, creation of digital databases for distribution, technical workshops and seminars, field trips, technical presentations at national and regional professional meetings, and publication in newsletters and various technical or trade journals. Four activities continued this quarter as part of the geological and reservoir characterization of carbonate mound buildups in the Paradox basin: (1) field studies, (2) development well completion operations, (3) reservoir analysis and modeling, and (4) technology transfer. This paper reviews the status.

  2. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox Basin, Utah. Technical progress report, January 1--March 31, 1996

    SciTech Connect (OSTI)

    Allison, M.L.

    1996-04-30

    The primary objective of this project is to enhance domestic petroleum production by demonstration and technology transfer of an advanced oil recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon dioxide-(CO{sub 2}-)flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place in the Paradox basin within the Navajo Nation. The results of this project will be transferred to industry and other researchers through a petroleum extension service, creation of digital databases for distribution, technical workshops and seminars, field trips, technical presentations at national and regional professional meetings, and publication in newsletters and various technical or trade journals.

  3. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox basin, Utah. Technical progress report, January 1, 1995--March 31, 1995

    SciTech Connect (OSTI)

    Allison, M.L.

    1995-05-30

    The primary objective of this project is to enhance domestic petroleum production by demonstration and technology transfer of an advanced oil recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon dioxide-flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place in the Paradox basin within the Navajo Nation. The results of this project will be transferred to industry and other researchers through a petroleum extension service, creation of digital databases for distribution, technical workshops and seminars, field trips, technical presentations at national and regional professional meetings, and publication in newsletters and various technical or trade journals.

  4. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox basin, Utah. Quarterly report, October 1--December 31, 1996

    SciTech Connect (OSTI)

    Allison, M.L.

    1997-02-01

    The primary objective of this project is to enhance domestic petroleum production by demonstration and technology transfer of an advanced oil recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon dioxide-(CO{sub 2}) flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place in the Paradox basin within the Navajo Nation. The results of this project will be transferred to industry and other researchers through a petroleum extension service, creation of digital databases for distribution, technical workshops and seminars, field trips, technical presentations at national and regional professional meetings, and publication in newsletters and various technical or trade journals. Three activities continued this quarter as part of the geological and reservoir characterization of productive carbonate buidups in the Paradox basin: (1) interpretation of new seismic data in the Mule field area, (2) reservoir engineering analysis of the Anasazi field, and (3) technology transfer.

  5. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox Basin, Utah, Class II

    SciTech Connect (OSTI)

    Chidsey, Thomas C.

    2000-07-28

    The primary objective of this project is to enhance domestic petroleum production by field demonstration and technology transfer of an advanced-oil-recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels (23,850,000-31,800,000 m{sup 3}) of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon-dioxide-miscible flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place within the Navajo Nation, San Juan County, Utah.

  6. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox Basin, Utah. Annual report, February 9, 1997--February 8, 1998

    SciTech Connect (OSTI)

    Chidsey, T.C. Jr.

    1998-03-01

    The Paradox basin of Utah, Colorado, and Arizona contains nearly 100 small oil fields producing from carbonate buildups or mounds within the Pennsylvanian (Desmoinesian) Paradox Formation. These fields typically have one to four wells with primary production ranging from 700,000 to 2,000,000 barrels (111,300-318,000 m{sup 3}) of oil per field at a 15 to 20 percent recovery rate. At least 200 million barrels (31,800,000 m{sup 3}) of oil are at risk of being unrecovered in these small fields because of inefficient recovery practices and undrained heterogeneous reservoirs. Five fields (Anasazi, Mule, Blue Hogan, Heron North, and Runway) within the Navajo Nation of southeastern Utah are being evaluated for waterflood or carbon-dioxide (CO{sub 2})-miscible flood projects based upon geological characterization and reservoir modeling. The results can be applied to other fields in the Paradox basin and the Rocky Mountain region, the Michigan and Illinois basins, and the Midcontinent. Geological characterization on a local scale focused on reservoir heterogeneity, quality, and lateral continuity as well as possible compartmentalization within each of the five project fields. This study utilized representative core and modern geophysical logs to characterize and grade each of the five fields for suitability of enhanced recovery projects. The typical vertical sequence or cycle of lithofacies from each field, as determined from conventional core, was tied to its corresponding log response. The diagenetic fabrics and porosity types found in the various hydrocarbon-bearing rocks of each field can be an indicator of reservoir flow capacity, storage capacity, and potential for water- and/or CO{sub 2}-flooding. Diagenetic histories of the various Desert Creek reservoirs were determined from 50 representative samples selected from the conventional cores of each field. Thin sections were also made of each sample for petrographic description.

  7. Catalytic distillation process

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1982-06-22

    A method is described for conducting chemical reactions and fractionation of the reaction mixture comprising feeding reactants to a distillation column reactor into a feed zone and concurrently contacting the reactants with a fixed bed catalytic packing to concurrently carry out the reaction and fractionate the reaction mixture. For example, a method for preparing methyl tertiary butyl ether in high purity from a mixed feed stream of isobutene and normal butene comprising feeding the mixed feed stream to a distillation column reactor into a feed zone at the lower end of a distillation reaction zone, and methanol into the upper end of said distillation reaction zone, which is packed with a properly supported cationic ion exchange resin, contacting the C[sub 4] feed and methanol with the catalytic distillation packing to react methanol and isobutene, and concurrently fractionating the ether from the column below the catalytic zone and removing normal butene overhead above the catalytic zone.

  8. Catalytic distillation process

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A. (Bellaire, TX)

    1982-01-01

    A method for conducting chemical reactions and fractionation of the reaction mixture comprising feeding reactants to a distillation column reactor into a feed zone and concurrently contacting the reactants with a fixed bed catalytic packing to concurrently carry out the reaction and fractionate the reaction mixture. For example, a method for preparing methyl tertiary butyl ether in high purity from a mixed feed stream of isobutene and normal butene comprising feeding the mixed feed stream to a distillation column reactor into a feed zone at the lower end of a distillation reaction zone, and methanol into the upper end of said distillation reaction zone, which is packed with a properly supported cationic ion exchange resin, contacting the C.sub.4 feed and methanol with the catalytic distillation packing to react methanol and isobutene, and concurrently fractionating the ether from the column below the catalytic zone and removing normal butene overhead above the catalytic zone.

  9. The efficient use of natural gas in transportation

    SciTech Connect (OSTI)

    Stodolsky, F.; Santini, D.J.

    1992-04-01

    Concerns over air quality and greenhouse gas emissions have prompted discussion as well as action on alternative fuels and energy efficiency. Natural gas and natural gas derived fuels and fuel additives are prime alternative fuel candidates for the transportation sector. In this study, we reexamine and add to past work on energy efficiency and greenhouse gas emissions of natural gas fuels for transportation (DeLuchi 1991, Santini et a. 1989, Ho and Renner 1990, Unnasch et al. 1989). We add to past work by looking at Methyl tertiary butyl ether (from natural gas and butane component of natural gas), alkylate (from natural gas butanes), and gasoline from natural gas. We also reexamine compressed natural gas, liquified natural gas, liquified petroleum gas, and methanol based on our analysis of vehicle efficiency potential. We compare the results against nonoxygenated gasoline.

  10. The efficient use of natural gas in transportation

    SciTech Connect (OSTI)

    Stodolsky, F.; Santini, D.J.

    1992-01-01

    Concerns over air quality and greenhouse gas emissions have prompted discussion as well as action on alternative fuels and energy efficiency. Natural gas and natural gas derived fuels and fuel additives are prime alternative fuel candidates for the transportation sector. In this study, we reexamine and add to past work on energy efficiency and greenhouse gas emissions of natural gas fuels for transportation (DeLuchi 1991, Santini et a. 1989, Ho and Renner 1990, Unnasch et al. 1989). We add to past work by looking at Methyl tertiary butyl ether (from natural gas and butane component of natural gas), alkylate (from natural gas butanes), and gasoline from natural gas. We also reexamine compressed natural gas, liquified natural gas, liquified petroleum gas, and methanol based on our analysis of vehicle efficiency potential. We compare the results against nonoxygenated gasoline.

  11. Energy and crude oil input requirements for the production of reformulated gasolines

    SciTech Connect (OSTI)

    Singh, M.; McNutt, B.

    1993-10-01

    The energy and crude oil requirements for the production of reformulated gasoline (RFG) are estimated. The scope of the study includes both the energy and crude oil embodied in the final product and the process energy required to manufacture the RFG and its components. The effects on energy and crude oil use of employing various oxygenates to meet the minimum oxygen-content level required by the Clean Air Act Amendments are evaluated. The analysis shows that production of RFG requires more total energy, but uses less crude oil, than that of conventional gasoline. The energy and crude oil use requirements of the different RFGs vary considerably. For the same emissions performance level, RFG with ethanol requires substantially more total energy and crude oil than does RFG with methyl tertiary butyl ether (MTBE) or ethyl tertiary butyl ether. A specific proposal by the US Environmental Protection Agency, designed to allow the use of ethanol in RFG, would increase the total energy required to produce RFG by 2% and the total crude oil required by 2.0 to 2.5% over the corresponding values for the base RFG with MTBE.

  12. Presentations

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Bill Kramer | Tertiary Storage January 28, 1997 | Author(s): Keith Fitzgerald, Harvard Holmes | Download File: Tertiary-Storage.pdf | pdf | 173 KB Report on Graphics Packages...

  13. Structureactivity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme

    SciTech Connect (OSTI)

    Charton, Julie; Dumont, Julie; Liang, Wenguang G.; Leroux, Florence; Deprez, Benoit

    2015-10-30

    Insulin degrading enzyme (IDE) is a zinc metalloprotease that degrades small amyloid peptides such as amyloid- and insulin. So far the dearth of IDE-specific pharmacological inhibitors impacts the understanding of its role in the physiopathology of Alzheimer's disease, amyloid- clearance, and its validation as a potential therapeutic target. Hit 1 was previously discovered by high-throughput screening. Here we describe the structure-activity study, that required the synthesis of 48 analogues. We found that while the carboxylic acid, the imidazole and the tertiary amine were critical for activity, the methyl ester was successfully optimized to an amide or a 1,2,4-oxadiazole. Along with improving their activity, compounds were optimized for solubility, lipophilicity and stability in plasma and microsomes. The docking or co-crystallization of some compounds at the exosite or the catalytic site of IDE provided the structural basis for IDE inhibition. The pharmacokinetic properties of best compounds 44 and 46 were measured in vivo. As a result, 44 (BDM43079) and its methyl ester precursor 48 (BDM43124) are useful chemical probes for the exploration of IDE's role.

  14. Synthesis of 6-Methyl-9-n-propyldibenzo thiophene-4-ol ammended to 6-Methyl-9-(1-methylethyl)-dibenzo thiophene-4-ol. Quarterly technical progress report No. 6, October 28, 1991--January 26, 1992

    SciTech Connect (OSTI)

    Not Available

    1992-02-28

    The material presented below is taken from Status Reports 15, 16 and 17 and covers the progress made toward the synthesis of the modified target molecules 9-isopropyl-4-methoxy-6 methyldibenzothiophene (13) and 9-isopropyl-6methyldibenzothiophene-4-ol (14).

  15. Methyl tert-butyl ether and ethyl tert-butyl ether: A comparison of properties, synthesis techniques, and operating conditions

    SciTech Connect (OSTI)

    Sneesby, M.G.; Tade, M.O.; Datta, R.

    1996-12-31

    MTBE is currently the most industrially significant oxygenate but some of the properties of ETBE and the EPA ethanol mandate suggest that ETBE could become a viable competitor. Similar synthesis techniques are used for both ethers but the phase behaviour of the ETBE system requires slightly different operating conditions and creates some alternatives for product recovery. The process control strategy for both systems must address some unusual challenges. 9 refs., 1 tab.

  16. Kinetic Model Development for the Combustion of Particulate Matter from Conventional and Soy Methyl Ester Diesel Fuels

    SciTech Connect (OSTI)

    Strzelec, Andrea

    2009-12-01

    The primary objective of this research has been to investigate how the oxidation characteristics of diesel particulate matter (PM) are affected by blending soy-based biodiesel fuel with conventional ultra low sulfur diesel (ULSD) fuel. PM produced in a light duty engine from different biodiesel-conventional fuel blends was subjected to a range of physical and chemical measurements in order to better understand the mechanisms by which fuel-related changes to oxidation reactivity are brought about. These observations were then incorporated into a kinetic model to predict PM oxidation. Nanostructure of the fixed carbon was investigated by HR-TEM and showed that particulates from biodiesel had a more open structure than particulates generated from conventional diesel fuel, which was confirmed by BET surface area measurements. Surface area evolution with extent of oxidation reaction was measured for PM from ULSD and biodiesel. Biodiesel particulate has a significantly larger surface area for the first 40% of conversion, at which point the samples become quite similar. Oxidation characteristics of nascent PM and the fixed carbon portion were measured by temperature programmed oxidation (TPO) and it was noted that increased biodiesel blending lowered the light-off temperature as well as the temperature where the peak rate of oxidation occurred. A shift in the oxidation profiles of all fuels was seen when the mobile carbon fraction was removed, leaving only the fixed carbon, however the trend in temperature advantage of the biofuel blending remained. The mobile carbon fraction was measured by temperature programmed desorption found to generally increase with increasing biodiesel blend level. The relative change in the light-off temperatures for the nascent and fixed carbon samples was found to be related to the fraction of mobile carbon. Effective Arrhenius parameters for fixed carbon oxidation were directly measured with isothermal, differential oxidation experiments. Normalizing the reaction rate to the total carbon surface area available for reaction allowed for the definition of a single reaction rate with constant activation energy (112.5 {+-} 5.8 kJ/mol) for the oxidation of PM, independent of its fuel source. A kinetic model incorporating the surface area dependence of fixed carbon oxidation rate and the impact of the mobile carbon fraction was constructed and validated against experimental data.

  17. Structure of trans-methyl 2-phenylhexahydro-2H-isoxazolo (2,3-a)-pyridine-3-carboxylate

    SciTech Connect (OSTI)

    Ul-Haque, M.; Horne, W.; Ali, S.A. )

    1993-02-01

    The title compound, a 1,3-dipolar cycloaddition product, crystallizes in the monoclinic space group P2[sub 1]/c, with a = 8.199(3), b = 16.908(1), c = 10.248(2) [angstrom],[beta] = 93.58(2)[degrees] and Z = 4. The structure was solved by direct methods and refined by full matrix least squares methods to R = 0.038 for 1687 observed reflections. The stereochemistry of this compound was found to have the [open quotes]ee[close quotes] conformation in the solid state as well as in solution. The piperidine ring in the molecule is in the chair form and the isoxazolidine ring adopts an envelope conformation.

  18. Translational and internal energy distributions of methyl and hydroxyl radicals produced by 157 nm photodissociation of amorphous solid methanol

    SciTech Connect (OSTI)

    Hama, Tetsuya; Yokoyama, Masaaki; Yabushita, Akihiro; Kawasaki, Masahiro; Wickramasinghe, Piyumie; Guo Wei; Loock, Hans-Peter; Ashfold, Michael N. R.; Western, Colin M.

    2009-12-14

    Methanol is typically observed within water-rich interstellar ices and is a source of interstellar organic species. Following the 157 nm photoexcitation of solid methanol at 90 K, desorbed CH{sub 3}(v=0) and OH(v=0,1) radicals have been observed in situ, near the solid surface, using resonance-enhanced multiphoton ionization (REMPI) detection methods. Time-of-flight and rotationally resolved REMPI spectra of the desorbed species were measured, and the respective fragment internal energy and kinetic energy distributions were obtained. Photoproduction mechanisms for CH{sub 3} and OH radicals from solid methanol are discussed. The formation of O({sup 1}D and {sup 3}P) atoms and H{sub 2}O was investigated, but the yield of these species was found to be negligible. CH{sub 3} products arising following the photoexcitation of water-methanol mixed ice showed similar kinetic and internal energy distributions to those from neat methanol ice.

  19. Low Temperature Autoignition of C8H16O2 Ethyl and Methyl Esters in a Motored Engine

    Broader source: Energy.gov [DOE]

    The alkyl chain of fatty acid esters experience the typical paraffin-like low temperature oxidation sequence; the alkyl chain length of fatty acid esters has a crucial impact on the ignition behavior of fatty acid esters

  20. Multiply Methyl-Branched Fatty Acids and Diacids in the Polar Lipids of a Microaerophilic Subsurface Microbial Community

    SciTech Connect (OSTI)

    Hedrick, David B.; Peacock, Aaron D.; Long, Philip E.; White, David C.

    2008-09-01

    A previously unreported series of di- and trimethylated fatty acids, as well as saturated and monounsaturated diacids were identified in polar lipids isolated from environmental subsurface sediment samples. Mechanisms are proposed for their formation, but their origin and role in cell membranes remains unknown.

  1. Initial Effects of NOx on Idodine and Methyl Iodine Loading of AgZ and Aerogels

    SciTech Connect (OSTI)

    Bruffey, Stephanie H.; Jubin, Robert Thomas

    2015-03-31

    This initial evaluation provides insight into the effect of NO on the adsorption of both I2 and CH3I onto reduced silver-exchanged mordenite (Ag0Z). It was determined that adsorption of CH3I onto Ag0Z occurs at approximately 50% of the rate of I2 adsorption onto Ag0Z, although total iodine capacities are comparable. Addition of 1% NO to the simulated off-gas stream results in very similar loading behaviors and iodine capacities for both iodine species. This is most likely an effect of CH3I oxidation to I2 by NO prior to contact with the sorbent bed. Completion of tests including NO2 in the simulated off-gas stream was delayed due to vendor NO2 production schedules. A statistically designed test matrix is partially completed, and upon conclusion of the suggested experiments, the effects of temperature, NO, NO2, and water vapor on the sorption of CH3I and I2 onto Ag0Z will be able to be statistically resolved. This work represents progress towards that aim.

  2. Synthesis of 6-Methyl-9-propyldibenzothiophene-4-ol. Technical progress report No. 2, October 25, 1990--January 25, 1991

    SciTech Connect (OSTI)

    Eisenbraun, E.J.

    1991-02-15

    The synthesis route for preparing the title compound, has been carried out on a small scale for the preparation of a mixture of isomers. Alternative routes for the cyclization are being explored. (DLC)

  3. Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate

    SciTech Connect (OSTI)

    Chandra,; Babu, E. A. Jithesh; Mahendra, M.; Srikantamurthy, N.; Umesha, K. B.

    2014-04-24

    The title compound, C{sub 19}H{sub 18}N{sub 2}O{sub 2}, was investigated by single crystal X-ray diffraction method. It crystallizes in monoclinic class under the space group P2{sub 1}/c with cell parameters a= 8.4593(4) Å, b=15.6284(6) Å, c=12.4579(5) Å, α=90°, β=98.241(3)°, γ=90° and Z=2. The ethoxycarbonyl group is slightly twisted from the pyrazole ring, and adopts syn-periplanar conformation. The crystal structure is stabilized by intermolecular C-H….O hydrogen bonds, which help in stabilizing the crystal structure.

  4. EA-1157: Methyl Chloride via Oxyhydrochlorination of Methane: A Building Black for Chemicals and Fuels from Natural Gas, Carrollton, Kentucky

    Broader source: Energy.gov [DOE]

    This EA evaluates the environmental impacts for the proposal to advance Oxyhydrochlorination technology to an integrated engineering-scale process.

  5. URANIUM SEPARATION PROCESS

    DOE Patents [OSTI]

    Hyde, E.K.; Katzin, L.I.; Wolf, M.J.

    1959-07-14

    The separation of uranium from a mixture of uranium and thorium by organic solvent extraction from an aqueous solution is described. The uranium is separrted from an aqueous mixture of uranium and thorium nitrates 3 N in nitric acid and containing salting out agents such as ammonium nitrate, so as to bring ihe total nitrate ion concentration to a maximum of about 8 N by contacting the mixture with an immiscible aliphatic oxygen containing organic solvent such as diethyl carbinol, hexone, n-amyl acetate and the like. The uranium values may be recovered from the organic phase by back extraction with water.

  6. Increased oil production and reserves utilizing secondary/tertiary recovery techniques on small reservoirs in the Paradox basin, Utah. Quarterly technical progress report, April 1, 1996--June 30, 1996

    SciTech Connect (OSTI)

    Allison, M.L.

    1996-08-01

    The primary objective of this project is to enhance domestic petroleum production by demonstration and technology transfer of an advanced oil recovery technology in the Paradox basin, southeastern Utah. If this project can demonstrate technical and economic feasibility, the technique can be applied to approximately 100 additional small fields in the Paradox basin alone, and result in increased recovery of 150 to 200 million barrels of oil. This project is designed to characterize five shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation and choose the best candidate for a pilot demonstration project for either a waterflood or carbon dioxide (CO{sub 2}-)flood project. The field demonstration, monitoring of field performance, and associated validation activities will take place in the Paradox basin within the Navajo Nation. The results of this project will be transferred to industry and other researchers through a petroleum extension service, creation of digital databases for distribution, technical workshops and seminars, field trips, technical presentations at national and regional professional meetings, and publication in newsletters and various technical or trade journals.

  7. Geologic Setting of the Chena Hot Springs Geothermal System,...

    Open Energy Info (EERE)

    diorite, tonalite,granodiorite, and granite of both mid-Cretaceous andEarly Tertiary ages. 40Ar39Ar step heat analyses ofbiotite from the CHS pluton shows flat Tertiary...

  8. P 1607 Cover 1.eps

    National Nuclear Security Administration (NNSA)

    Structural Relationships of Pre-Tertiary Rocks in the Nevada Test Site Region, Southern ... of Pre-Tertiary Rocks in the Nevada Test Site Region, Southern Nevada By James C. ...

  9. Presentations

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    1997 | Author(s): Bill Kramer | Tertiary Storage January 28, 1997 | Author(s): Keith Fitzgerald, Harvard Holmes | Download File: Tertiary-Storage.pdf | pdf | 173 KB Report on...

  10. Heterogeneous catalytic process for alcohol fuels from syngas. Final technical report

    SciTech Connect (OSTI)

    Dombek, B.D.

    1996-03-01

    The primary objective of this project has been the pursuit of a catalyst system which would allow the selective production from syngas of methanol and isobutanol. It is desirable to develop a process in which the methanol to isobutanol weight ratio could be varied from 70/30 to 30/70. The 70/30 mixture could be used directly as a fuel additive, while, with the appropriate downstream processing, the 30/70 mixture could be utilized for methyl tertiary-butyl ether (MTBE) synthesis. The indirect manufacture of MTBE from a coal derived syngas to methanol and isobutanol process would appear to be a viable solution to MTBE feedstock limitations. To become economically attractive, a process fro producing oxygenates from coal-derived syngas must form these products with high selectivity and good rates, and must be capable of operating with a low-hydrogen-content syngas. This was to be accomplished through extensions of known catalyst systems and by the rational design of novel catalyst systems.

  11. Synthesis of [.sup.13C] and [.sup.2H] substituted methacrylic acid, [.sup.13C] and [.sup.2H] substituted methyl methacrylate and/or related compounds

    DOE Patents [OSTI]

    Alvarez, Marc A.; Martinez, Rodolfo A.; Unkefer, Clifford J.

    2010-02-16

    The present invention is directed to labeled compounds of the formulae ##STR00001## wherein Q is selected from the group consisting of --S(.dbd.O)--, and --S(.dbd.O).sub.2--, Z is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure ##STR00002## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are each independently selected from the group consisting of hydrogen, a C.sub.1-C.sub.4 lower alkyl, a halogen, and an amino group selected from the group consisting of NH.sub.2, NHR and NRR' where R and R' are each independently selected from the group consisting of a C.sub.1-C.sub.4 lower alkyl, an aryl, and an alkoxy group, and X is selected from the group consisting of hydrogen, a C.sub.1-C.sub.4 lower alkyl group, and a fully-deuterated C.sub.1-C.sub.4 lower alkyl group.

  12. Crystal structure of 4-[benzylideneamino]-3-thiophen-2-yl-methyl-4,5-dihydro-1H-[1,2,4] triazole-5-one

    SciTech Connect (OSTI)

    Tanak, H.

    2013-12-15

    The crystal structure of the title compound C{sub 14}H{sub 12}N{sub 4}OS was determined by the X-ray diffraction method. The compound crystallizes in the triclinic space group P-bar1 with Z = 2. The molecule is not planar: the dihedral angle between the triazole and thiophene rings is 73.98(2)°, and that between the triazole and benzene rings is 4.05(2)°. The thiophene ring is disordered over two positions, which are approximately parallel and oppositely oriented. The major component refined to a site-occupancy factor of 0.573(3). An intramolecular C-H...O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked together by two pairs of N-H...O interactions (to the same O atom as acceptor), forming inversion dimers. The crystal packing is also stabilized by π-π interactions [centroid-centroid distance is 3.978 Å].

  13. L-[METHYL-{sup 11}C] Methionine Positron Emission Tomography for Target Delineation in Malignant Gliomas: Impact on Results of Carbon Ion Radiotherapy

    SciTech Connect (OSTI)

    Mahasittiwat, Pawinee; Mizoe, Jun-etsu Hasegawa, Azusa; Ishikawa, Hiroyuki; Yoshikawa, Kyosan; Mizuno, Hideyuki; Yanagi, Takeshi; Takagi, Ryou D.D.S.; Pattaranutaporn, Pittayapoom; Tsujii, Hirohiko

    2008-02-01

    Purpose: To assess the importance of {sup 11}C-methionine (MET)-positron emission tomography (PET) for clinical target volume (CTV) delineation. Methods and Materials: This retrospective study analyzed 16 patients with malignant glioma (4 patients, anaplastic astrocytoma; 12 patients, glioblastoma multiforme) treated with surgery and carbon ion radiotherapy from April 2002 to Nov 2005. The MET-PET target volume was compared with gross tumor volume and CTV, defined by using computed tomography/magnetic resonance imaging (MRI). Correlations with treatment results were evaluated between positive and negative extended volumes (EVs) of the MET-PET target for CTV. Results: Mean volumes of the MET-PET targets, CTV1 (defined by means of high-intensity volume on T2-weighted MRI), and CTV2 (defined by means of contrast-enhancement volume on T1-weighted MRI) were 6.35, 264.7, and 117.7 cm{sup 3}, respectively. Mean EVs of MET-PET targets for CTV1 and CTV2 were 0.6 and 2.2 cm{sup 3}, respectively. The MET-PET target volumes were included in CTV1 and CTV2 in 13 (81.3%) and 11 patients (68.8%), respectively. Patients with a negative EV for CTV1 had significantly greater survival rate (p = 0.0069), regional control (p = 0.0047), and distant control time (p = 0.0267) than those with a positive EV. Distant control time also was better in patients with a negative EV for CTV2 than those with a positive EV (p = 0.0401). Conclusions: For patients with malignant gliomas, MET-PET has a possibility to be a predictor of outcome in carbon ion radiotherapy. Direct use of MET-PET fused to planning computed tomography will be useful and yield favorable results for the therapy.

  14. Synthesis of 2'-deoxy-2'-[.sup.18F]fluoro-5-methyl-1-B-D-arabinofuranosyluracil (.sup.18F-FMAU)

    DOE Patents [OSTI]

    Li, Zibo; Cai, Hancheng; Conti, Peter S

    2014-12-16

    The present invention relates to methods of synthesizing .sup.18F-FMAU. In particular, .sup.18F-FMAU is synthesized using one-pot reaction conditions in the presence of Friedel-Crafts catalysts. The one-pot reaction conditions are incorporated into a fully automated cGMP-compliant radiosynthesis module, which results in a reduction in synthesis time and simplifies reaction conditions. The one-pot reaction conditions are also suitable for the production of 5-substituted thymidine or cytidine analogs. The products from the one-pot reaction (e.g. the labeled thymidine or cytidine analogs) can be used as probes for imaging tumor proliferative activity. More specifically, these [.sup.18F]-labeled thymidine or cytidine analogs can be used as a PET tracer for certain medical conditions, including, but not limited to, cancer disease, autoimmunity inflammation, and bone marrow transplant.

  15. SEPARATION OF URANIUM FROM THORIUM AND PROTACTINIUM

    DOE Patents [OSTI]

    Musgrave, W.K.R.

    1959-06-30

    This patent relates to the separation of uranium from thorium and protactinium; such mixtures of elements usually being obtained by neutron irradiation of thorium. The method of separating the constituents has been first to dissolve the mixture of elements in concertrated nitric acid and then to remove the protactinium by absorption on manganese dioxide and the uranium by solvent extraction with ether. Prior to now, comparatively large amounts of thorium were extracted with the uranium. According to the invention this is completely prevented by adding sodium diethyldithiocarbamate to the mixture of soluble nitrate salts. The organic salt has the effect of reacting only with the uranyl nitrate to form the corresponding uranyl salt which can then be selectively extracted from the mixture with amyl acetate.

  16. Global prevalence and distribution of genes and microorganisms involved in

    Office of Scientific and Technical Information (OSTI)

    mercury methylation (Journal Article) | DOE PAGES Global prevalence and distribution of genes and microorganisms involved in mercury methylation « Prev Next » Title: Global prevalence and distribution of genes and microorganisms involved in mercury methylation Mercury methylation produces the neurotoxic, highly bioaccumulative methylmercury (MeHg). Recent identification of the methylation genes (hgcAB) provides the foundation for broadly evaluating microbial Hg-methylation potential in

  17. Preparation of Propylene Glycol Fatty Acid Ester or Other Glycol...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and more specifically uses methyl esters of vegetable oils that are referred to as "biodiesel" fuels. One particularly useful biodiesel is soybean oil biodiesel (methyl soyate)...

  18. Task 4.9 -- Value-added products from syngas. Semi-annual report, July 1--December 31, 1996

    SciTech Connect (OSTI)

    Olson, E.S.; Sharma, R.K.

    1997-08-01

    The work on advanced fuel forms in 1996 focused on the synthesis of higher alcohols from mixtures of hydrogen and carbon dioxide (syngas) from coal gasification. Initial work in this project utilized a novel molybdenum sulfide catalyst previously shown to be active for hydrodesulfurization reactions of coal liquids. A pressurized fixed-bed flow-through reactor was constructed, and the MoS{sub 2} catalysts were tested with syngas under a variety of conditions. Unfortunately, the catalysts, even with higher molybdenum loading and addition of promoters, failed to give alcohol products. A batch reactor test of the catalyst was also conducted, but did not produce alcohol products. Group VIII metals have been used previously in catalysts for syngas reactions. Ruthenium and rhodium catalysts were prepared by impregnation of a hydrotalcite support. Tests with these catalysts in flow-through reactors also did not produce the desired alcohol products. The formation of higher alcohols from smaller ones, such as methanol and ethanol, could be commercially important if high selectivity could be achieved. The methanol and ethanol would be derived from syngas and fermentation, respectively. Based on previous work in other laboratories, it was hypothesized that the hydrotalcite-supported MoS{sub 2} or Ru or Rh catalysts could catalyze the formation of butyl alcohols. Although the desired 1-butanol was obtained in batch reactions with the promoted ruthenium catalyst, the reaction was not as selective as desired. Product suitable for a lower-vapor-pressure gasoline oxygenate additive was obtained, but it may not be economical to market such products in competition with methyl tertiary-butyl ether (MTBE). Flow-through catalytic bed reactions were not successful.

  19. Sorbents for High Temperature Removal of Arsenic from Coal-Derived Synthesis Gas

    SciTech Connect (OSTI)

    Alptekin, G.O.; Copeland, R.; Dubovik, M.; Gershanovich, Y.

    2002-09-20

    Gasification technologies convert coal and other heavy feedstocks into synthesis gas feed streams that can be used in the production of a wide variety of chemicals, ranging from hydrogen through methanol, ammonia, acetic anhydride, dimethyl ether (DME), methyl tertiary butyl ether (MTBE), high molecular weight liquid hydrocarbons and waxes. Syngas can also be burned directly as a fuel in advanced power cycles to generate electricity with very high efficiency. However, the coal-derived synthesis gas contains a myriad of trace contaminants that may poison the catalysts that are used in the downstream manufacturing processes and may also be regulated in power plant emissions. Particularly, the catalysts used in the conversion of synthesis gas to methanol and other liquid fuels (Fischer-Tropsch liquids) have been found to be very sensitive to the low levels of poisons, especially arsenic, that are present in the synthesis gas from coal. TDA Research, Inc. (TDA) is developing an expendable high capacity, low-cost chemical absorbent to remove arsenic from coal-derived syngas. Unlike most of the commercially available sorbents that physically adsorb arsenic, TDA's sorbent operates at elevated temperatures and removes the arsenic through chemical reaction. The arsenic content in the coal gas stream is reduced to ppb levels with the sorbent by capturing and stabilizing the arsenic gas (As4) and arsenic hydrides (referred to as arsine, AsH3) in the solid state. To demonstrate the concept of high temperature arsenic removal from coal-derived syngas, we carried out bench-scale experiments to test the absorption capacity of a variety of sorbent formulations under representative conditions. Using on-line analysis techniques, we monitored the pre- and post-breakthrough arsine concentrations over different sorbent samples. Some of these samples exhibited pre-breakthrough arsine absorption capacity over 40% wt. (capacity is defined as lb of arsenic absorbed/lb of sorbent), while maintaining an arsine outlet concentration at less than 10 ppb.

  20. Fuel cycle evaluations of biomass-ethanol and reformulated gasoline. Volume 1

    SciTech Connect (OSTI)

    Tyson, K.S.

    1993-11-01

    The US Department of Energy (DOE) is using the total fuel cycle analysis (TFCA) methodology to evaluate energy choices. The National Energy Strategy (NES) identifies TFCA as a tool to describe and quantify the environmental, social, and economic costs and benefits associated with energy alternatives. A TFCA should quantify inputs and outputs, their impacts on society, and the value of those impacts that occur from each activity involved in producing and using fuels, cradle-to-grave. New fuels and energy technologies can be consistently evaluated and compared using TFCA, providing a sound basis for ranking policy options that expand the fuel choices available to consumers. This study is limited to creating an inventory of inputs and outputs for three transportation fuels: (1) reformulated gasoline (RFG) that meets the standards of the Clean Air Act Amendments of 1990 (CAAA) using methyl tertiary butyl ether (MTBE); (2) gasohol (E10), a mixture of 10% ethanol made from municipal solid waste (MSW) and 90% gasoline; and (3) E95, a mixture of 5% gasoline and 95% ethanol made from energy crops such as grasses and trees. The ethanol referred to in this study is produced from lignocellulosic material-trees, grass, and organic wastes -- called biomass. The biomass is converted to ethanol using an experimental technology described in more detail later. Corn-ethanol is not discussed in this report. This study is limited to estimating an inventory of inputs and outputs for each fuel cycle, similar to a mass balance study, for several reasons: (1) to manage the size of the project; (2) to provide the data required for others to conduct site-specific impact analysis on a case-by-case basis; (3) to reduce data requirements associated with projecting future environmental baselines and other variables that require an internally consistent scenario.

  1. Location of MTBE and toluene in the channel system of the zeolite mordenite: Adsorption and host-guest interactions

    SciTech Connect (OSTI)

    Arletti, Rossella; Martucci, Annalisa; Alberti, Alberto; Pasti, Luisa; Nassi, Marianna; Bagatin, Roberto

    2012-10-15

    This paper reports a study of the location of Methyl Tertiary Butyl Ether (MTBE) and toluene molecules adsorbed in the pores of the organophylic zeolite mordenite from an aqueous solution. The presence of these organic molecules in the zeolite channels was revealed by structure refinement performed by the Rietveld method. About 3 molecules of MTBE and 3.6 molecules of toluene per unit cell were incorporated into the cavities of mordenite, representing 75% and 80% of the total absorption capacity of this zeolite. In both cases a water molecule was localized inside the side pocket of mordenite. The saturation capacity determined by the adsorption isotherms, obtained by batch experiments, and the weight loss given by thermogravimetric (TG) analyses were in very good agreement with these values. The interatomic distances obtained after the structural refinements suggest MTBE could be connected to the framework through a water molecule, while toluene could be bonded to framework oxygen atoms. The rapid and high adsorption of these hydrocarbons into the organophylic mordenite zeolite makes this cheap and environmental friendly material a suitable candidate for the removal of these pollutants from water. - graphical abstract: Location of MTBE (a) and toluene (b) in mordenite channels (projection along the [001] direction). Highlights: Black-Right-Pointing-Pointer We investigated the MTBE and toluene adsorption process into an organophilic zeolite mordenite. Black-Right-Pointing-Pointer The presence of MTBE and toluene in mordenite was determined by X-ray diffraction studies. Black-Right-Pointing-Pointer About 3 molecules of MTBE and 3.6 molecules of toluene per unit cell were incorporated into the zeolite cavities. Black-Right-Pointing-Pointer MTBE is connected to the framework through a water molecule. Black-Right-Pointing-Pointer Toluene is directly bonded to framework oxygen atoms.

  2. Ethanol Demand in United States Production of Oxygenate-limited Gasoline

    SciTech Connect (OSTI)

    Hadder, G.R.

    2000-08-16

    Ethanol competes with methyl tertiary butyl ether (MTBE) to satisfy oxygen, octane, and volume requirements of certain gasolines. However, MTBE has water quality problems that may create significant market opportunities for ethanol. Oak Ridge National Laboratory (ORNL) has used its Refinery Yield Model to estimate ethanol demand in gasolines with restricted use of MTBE. Reduction of the use of MTBE would increase the costs of gasoline production and possibly reduce the gasoline output of U.S. refineries. The potential gasoline supply problems of an MTBE ban could be mitigated by allowing a modest 3 vol percent MTBE in all gasoline. In the U.S. East and Gulf Coast gasoline producing regions, the 3 vol percent MTBE option results in costs that are 40 percent less than an MTBE ban. In the U.S. Midwest gasoline producing region, with already high use of ethanol, an MTBE ban has minimal effect on ethanol demand unless gasoline producers in other regions bid away the local supply of ethanol. The ethanol/MTBE issue gained momentum in March 2000 when the Clinton Administration announced that it would ask Congress to amend the Clean Air Act to provide the authority to significantly reduce or eliminate the use of MTBE; to ensure that air quality gains are not diminished as MTBE use is reduced; and to replace the existing oxygenate requirement in the Clean Air Act with a renewable fuel standard for all gasoline. Premises for the ORNL study are consistent with the Administration announcement, and the ethanol demand curve estimates of this study can be used to evaluate the impact of the Administration principles and related policy initiatives.

  3. untitled

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    GAME CHANGING TECHNOLOGY OF POLYMERIC-SURFACTANTS FOR TERTIARY OIL RECOVERY IN THE ILLINOIS BASIN 10123-03.Final September 30, 2014 PI: Dr. Yongchun Tang Power Environmental...

  4. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Tertiary architecture of the Oceanobacillus iheyensis group II intron Toor, Navtej ; ... RCrane then allows the crystallographer to review the newly built structure and select ...

  5. Microsoft Word - S0130700_Mar 2008Rev June 2008.doc

    Office of Legacy Management (LM)

    March 2008 Office of Legacy Management DOE M1602 2008 - -L ... 3.3.3 Inspection Checklist......Province in an area of low hills underlain by Tertiary ...

  6. Subsurface Stratigraphy, Structure, and Alteration in the Senator...

    Open Energy Info (EERE)

    protolith, contains a downward-increasing component (up to at least 15 vol.%) of brick-red, Tertiary tuffaceous volcanic rock and its comminuted equivalent. The alluvium is...

  7. Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of

    Office of Scientific and Technical Information (OSTI)

    Methyl-Substituted Bipyridines (Journal Article) | SciTech Connect Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines Citation Details In-Document Search Title: Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines Multiconfigurational, intermediate valent ground states are established in several methyl-substituted bipyridine complexes of bispentamethylcyclopentadienylytterbium, Cp*{sub 2}

  8. EA-1157: Finding of No Significant Impact

    Broader source: Energy.gov [DOE]

    Methyl Chloride via Oxyhydrochlorination of Methane: A Building Black for Chemicals and Fuels from Natural Gas

  9. EA-1157: Final Environmental Assessment

    Office of Energy Efficiency and Renewable Energy (EERE)

    Methyl Chloride via Oxyhydrochlorination of Methane: A Building Black for Chemicals and Fuels from Natural Gas

  10. Variable dimensionality in the uranium fluoride/2-methyl-piperazine system: Synthesis and structures of UFO-5, -6, and -7; Zero-, one-, and two-dimensional materials with unprecedented topologies

    SciTech Connect (OSTI)

    Francis, R.J.; Halasyamani, P.S.; Bee, J.S.; O'Hare, D.

    1999-02-24

    Recently, low temperature (T < 300 C) hydrothermal reactions of inorganic precursors in the presence of organic cations have proven highly productive for the synthesis of novel solid-state materials. Interest in these materials is driven by the astonishingly diverse range of structures produced, as well as by their many potential materials chemistry applications. This report describes the high yield, phase pure hydrothermal syntheses of three new uranium fluoride phases with unprecedented structure types. Through the systematic control of the synthesis conditions the authors have successfully controlled the architecture and dimensionality of the phase formed and selectively synthesized novel zero-, one-, and two-dimensional materials.

  11. Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate.

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2009-07-21

    Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated esters: methyl-5-decenoate and methyl-9-decenoate. These models were built from a previous methyl decanoate mechanism and were compared with rapeseed oil methyl esters oxidation experiments in a jet stirred reactor. A comparative study of the reactivity of these three oxygenated compounds was performed and the differences in the distribution of the products of the reaction were highlighted showing the influence of the presence and the position of a double bond in the chain. Blend surrogates, containing methyl decanoate, methyl-5-decenoate, methyl-9-decenoate and n-alkanes, were tested against rapeseed oil methyl esters and methyl palmitate/n-decane experiments. These surrogate models are realistic kinetic tools allowing the study of the combustion of biodiesel fuels in diesel and homogeneous charge compression ignition engines.

  12. Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate

    SciTech Connect (OSTI)

    Herbinet, Olivier; Pitz, William J.; Westbrook, Charles K.

    2010-05-15

    Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated esters: methyl-5-decenoate and methyl-9-decenoate. These models were built from a previous methyl decanoate mechanism and were compared with rapeseed oil methyl esters oxidation experiments in a jet-stirred reactor. A comparative study of the reactivity of these three oxygenated compounds was performed and the differences in the distribution of the products of the reaction were highlighted showing the influence of the presence and the position of a double bond in the chain. Blend surrogates, containing methyl decanoate, methyl-5-decenoate, methyl-9-decenoate and n-alkanes, were tested against rapeseed oil methyl esters and methyl palmitate/n-decane experiments. These surrogate models are realistic kinetic tools allowing the study of the combustion of biodiesel fuels in diesel and homogeneous charge compression ignition engines. (author)

  13. Task 4.9 -- Value-added products from syngas

    SciTech Connect (OSTI)

    Olson, E.S.; Sharma, R.K.

    1997-02-01

    The work on advanced fuel forms in 1996 focused on the synthesis of higher alcohols from mixtures of hydrogen and carbon dioxide (syngas) from coal gasification. The conversion of coal gasification products to commercially valuable alcohols will provide an important new market for current and future gasification plants. Initial work in this project utilized a novel molybdenum sulfide catalyst previously shown to be active for hydrodesulfurization reactions of coal liquids. The support for the active metal sulfide is a layered mixed oxide (hydrotalcite) capable of interaction with the metal sites for catalysis of carbon monoxide reductions. These catalysts have a high surface area, are highly porous, and have basic and acidic functionality. A pressurized fixed-bed flow-through reactor was constructed, and the MoS{sub 2} catalysts were tested with syngas under a variety of conditions. Unfortunately, the catalysts, even with higher molybdenum loading and addition of promoters, failed to give alcohol products. A batch reactor test of the catalyst was also conducted, but did not produce alcohol products. Group 8 metals have been used previously in catalysts for syngas reactions. Ruthenium and rhodium catalysts were prepared by impregnation of a hydrotalcite support. Tests with these catalysts in flow-through reactors also did not produce the desired alcohol products. The formation of higher alcohols from smaller ones, such as methanol and ethanol, could be commercially important if high selectivity could be achieved. The methanol and ethanol would be derived from syngas and fermentation, respectively. Based on previous work in other laboratories, it was hypothesized that the hydrotalcite supported MoS{sub 2} or Ru or Rh catalysts could catalyze the formation of butyl alcohols. Although the desired 1-butanol was obtained in batch reactions with the promoted Ru catalyst, the reaction was not as selective as desired. Product suitable for a lower-vapor-pressure gasoline oxygenate additive was obtained, but it may not be economical to market such products in competition with methyl tertiary-butyl-ether. Flow-through catalytic bed reactions were not successful.

  14. Brain Receptor Structures Key to Future Therapeutics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AMPA, -amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid; and NMDA, N-methyl-D-aspartate. The receptors used in the studies-from the Norwegian rat and the frog Xenopus...

  15. Slide 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Dr. Michele Pavone : NSF, A*STAR, DOE-BES See Victor Oyeyemi's poster today Common biodiesel derived from rapeseed oil and soybeans: Methyl esters (R(CO)OCH 3 ): methyl...

  16. Global prevalence and distribution of genes and microorganisms...

    Office of Scientific and Technical Information (OSTI)

    New potential methylation habitats were identified, including invertebrate guts, thawing permafrost, coastal dead zones, soils, sediments, and extreme environments, suggesting ...

  17. Health-hazard evaluation report HETA 90-223-2211, Thomson Consumer Electronics, Marion, Indiana

    SciTech Connect (OSTI)

    Lenhart, S.W.; Driscoll, R.

    1992-05-01

    In response to a request from the Corporate Medical Consultant to Thomson Consumer Electronics (SIC-3673), Marion, Indiana, a study was undertaken of an illness outbreak in workers at the facility. There were about 1900 workers at the facility, which produced television picture tubes. Production occurred over three shifts, 6 days a week. Charcoal tube sampling indicated the presence of acetone (67641) n-amyl-acetate (628637), n-butyl-acetate (123864), isoamyl-acetate (123922), toluene (108883), 1,1,1-trichloroethane (71556), and trichloroethylene (79016). No contaminants were detected in the bag samples of air collected from the in/house compressed air system. One or more symptoms were reported by 593 (82%) of the workers. Those most commonly reported included headache (68%), sore throat (53%), fatigue (51%), eye irritation (50%), itchy skin (47%), irritated nose (45%), dizziness (45%), unusual taste in mouth (45%), unusual smell (41%) and cough. The authors conclude that symptoms were consistent with stress related health complaints in occupational settings. Concentrations of chemicals measured in the facility would not be expected to produce the effects seen in the outbreak. The authors recommend that trichloroethylene degreasing units be replaced with equipment which uses a less toxic degreasing agent. The facility should hire a full time industrial hygienist.

  18. CX-007922: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Game Changing Technology of Polymeric-Surfactants for Tertiary Oil CX(s) Applied: A9, B3.6 Date: 02/23/2012 Location(s): California Offices(s): National Energy Technology Laboratory

  19. CX-007928: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Game Changing Technology of Polymeric-Surfactants for Tertiary Oil CX(s) Applied: A9, B3.6 Date: 02/22/2012 Location(s): Indiana Offices(s): National Energy Technology Laboratory

  20. Enhanced oil recovery

    SciTech Connect (OSTI)

    Fisher, W.G.

    1982-01-01

    The principal enhanced recovery technique is waterflooding, because water generally is inexpensive to obtain and inject into the reservoir and it works. With the shortage of conventional oil in Canada there is greater emphasis being placed on other recovery schemes in addition to or in place of waterflooding. Tertiary recovery is applicable to many of the existing projects and engineers must recognize those fields that are candidates for tertiary recovery applications. The application of tertiary recovery techniques to a specific reservoir requires consideration of all methods developed to select the one most suitable. A thorough understanding of waterflooding and the factors that affect recovery is necessary before a tertiary process is considered. Factors that affect oil recovery under waterflooding are areal and vertical sweep efficiency, contact factor and displacement efficiency.

  1. Method of producing cyclohexasilane compounds

    DOE Patents [OSTI]

    Elangovan, Arumugasamy; Anderson, Kenneth; Boudjouk, Philip R; Schulz, Douglas L

    2015-03-10

    A method of preparing a cyclohexasilane compound from trichlorosilane is provided. The method includes contacting trichlorosilane with a reagent composition to produce a compound containing a tetradecahalocyclohexasilane dianion, such as a tetradecachlorocyclohexasilane dianion. The reagent composition typically includes (a) tertiary polyamine ligand; and (b) a deprotonating reagent, such as a tertiary amine having a pKa of at least about 10.5. Methods of converting the tetradecahalocyclohexasilane dianion-containing compound to cyclohexasilane or a dodecaorganocyclohexasilane are also provided.

  2. Surfactant-Polymer Interaction for Improved Oil Recovery

    SciTech Connect (OSTI)

    Gabitto, Jorge; Mohanty, Kishore K.

    2002-01-07

    The goal of this research was to use the interaction between a surfactant and a polymer for efficient displacement of tertiary oil by improving slug integrity, oil solubility in the displacing fluid and mobility control. Surfactant-polymer flooding has been shown to be highly effective in laboratory-scale linear floods. The focus of this proposal is to design an inexpensive surfactant-polymer mixture that can efficiently recover tertiary oil by avoiding surfactant slug degradation and viscous/heterogeneity fingering.

  3. Epigenomics of Development in Populus

    SciTech Connect (OSTI)

    Strauss, Steve; Freitag, Michael; Mockler, Todd

    2013-01-10

    We conducted research to determine the role of epigenetic modifications during tree development using poplar (Populus trichocarpa), a model woody feedstock species. Using methylated DNA immunoprecipitation (MeDIP) or chromatin immunoprecipitation (ChIP), followed by high-throughput sequencing, we are analyzed DNA and histone methylation patterns in the P. trichocarpa genome in relation to four biological processes: bud dormancy and release, mature organ maintenance, in vitro organogenesis, and methylation suppression. Our project is now completed. We have 1) produced 22 transgenic events for a gene involved in DNA methylation suppression and studied its phenotypic consequences; 2) completed sequencing of methylated DNA from eleven target tissues in wildtype P. trichocarpa; 3) updated our customized poplar genome browser using the open-source software tools (2.13) and (V2.2) of the P. trichocarpa genome; 4) produced summary data for genome methylation in P. trichocarpa, including distribution of methylation across chromosomes and in and around genes; 5) employed bioinformatic and statistical methods to analyze differences in methylation patterns among tissue types; and 6) used bisulfite sequencing of selected target genes to confirm bioinformatics and sequencing results, and gain a higher-resolution view of methylation at selected genes 7) compared methylation patterns to expression using available microarray data. Our main findings of biological significance are the identification of extensive regions of the genome that display developmental variation in DNA methylation; highly distinctive gene-associated methylation profiles in reproductive tissues, particularly male catkins; a strong whole genome/all tissue inverse association of methylation at gene bodies and promoters with gene expression; a lack of evidence that tissue specificity of gene expression is associated with gene methylation; and evidence that genome methylation is a significant impediment to tissue dedifferentiation and redifferentiation in vitro.

  4. Development of Effective Solvent Modifiers for the Solvent Extraction of Cesium from Alkaline High-Level Tank Waste.

    SciTech Connect (OSTI)

    Bonnesen, Peter V.; Delmau, Laetitia H.; Moyer, Bruce A.; Lumetta, Gregg J. )

    2003-01-01

    A series of novel alkylphenoxy fluorinated alcohols were prepared and investigated for their effectiveness as modifiers in solvents containing calix[4]arene-bis-(tert-octylbenzo)-crown-6 for extracting cesium from alkaline nitrate media. A modifier that contained a terminal 1,1,2,2-tetrafluoroethoxy group was found to decompose following long-term exposure to warm alkaline solutions. However, replacement of the tetrafluoroethoxy group with a 2,2,3,3-tetrafluoropropoxy group led to a series of modifiers that possessed the alkaline stability required for a solvent extraction process. Within this series of modifiers, the structure of the alkyl substituent (tert-octyl, tert-butyl, tert-amyl, and sec-butyl) of the alkylphenoxy moiety was found to have a profound impact on the phase behavior of the solvent in liquid-liquid contacting experiments, and hence on the overall suitability of the modifier for a solvent extraction process. The sec-butyl derivative[1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol] (Cs-7SB) was found to possess the best overall balance of properties with respect to third phase and coalescence behavior, cleanup following degradation, resistance to solids formation, and cesium distribution behavior. Accordingly, this modifier was selected for use as a component of the solvent employed in the Caustic-Side Solvent Extraction (CSSX) process for removing cesium from high level nuclear waste (HLW) at the U.S. Department of Energy?s (DOE) Savannah River Site. In batch equilibrium experiments, this solvent has also been successfully shown to extract cesium from both simulated and actual solutions generated from caustic leaching of HLW tank sludge stored in tank B-110 at the DOE?s Hanford Site.

  5. Synthesis and tribological behavior of silicon oxycarbonitride thin films

    Office of Scientific and Technical Information (OSTI)

    derived from poly(urea)methyl vinyl silazane. (Journal Article) | SciTech Connect Journal Article: Synthesis and tribological behavior of silicon oxycarbonitride thin films derived from poly(urea)methyl vinyl silazane. Citation Details In-Document Search Title: Synthesis and tribological behavior of silicon oxycarbonitride thin films derived from poly(urea)methyl vinyl silazane. No abstract prepared. Authors: Prasad, Somuri V. ; Tallant, David Robert ; Raj, Rishi [1] ; Cross, Tsali + Show

  6. Neutron Scattering Data Vickie Lynch, Jose Borreguero-Calvo,

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... U.S. Department of Energy Testing with friendly users Jose Borreguero * Mike Crawford (Dupont) & Niina Jalarvo (Julich) BASIS experiment MD simulation studies of Methyl rotations ...

  7. Carbon-13 magnetic resonance of hydrocarbons. Progress report, September 1, 1978-28 February 1981

    SciTech Connect (OSTI)

    Dalling, D.K.; Morin, F.

    1981-01-01

    Carbon-13 and proton nmr data have been required for the following series of compounds: tetralin and sixteen of its methylated derivatives; eleven methylated tetrahydrophenanthrene which include the parent compound; and 9,10-dihydrophenanthrene and four of its 9,10 methylated isomers. Data for all these compounds are provided and a detailed discussion on their molecular structure from the chemical shift studies is presented. The temperature dependence of the solution chemical shifts of various methylated derivatives of tetralin has also been determined in CDCL/sub 4/ from 40/sup 0/C to -65/sup 0/C.

  8. Effects of nickel, chromate, and arsenite on histone 3 lysine...

    Office of Scientific and Technical Information (OSTI)

    ... Subject: 60 APPLIED LIFE SCIENCES; ARSENIC; CARCINOMAS; CELL DIVISION; CHROMATES; CHROMIUM; DNA; GENES; LUNGS; LYSINE; METHYLATION; MICROSCOPY; NICKEL; OCCUPATIONAL EXPOSURE Word ...

  9. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... States) Weldon Spring Site Remedial Action Project, MO (United States) West Valley ... Carboxyl methylation of the PP2A catalytic subunit plays a critical role in regulating ...

  10. 33rd International Symposium on Combustion Hottel Lecture Application...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    kinetics database using shock tubelaser absorption methods Leading to: * Improved ... methyl esters 2 3 Stanford Shock Tube & Laser Facilities Driver Section Shock Tube ...

  11. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    sequencing, we are analyzed DNA and histone methylation patterns in the P. trichocarpa genome in relation to four biological processes: bud dormancy and release, mature organ...

  12. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Filter Results Filter by Subject applied life sciences (1) basic biological sciences (1) cell cycle (1) crystal structure (1) enzymes (1) methylation (1) mutants (1) phosphatases ...

  13. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Filter Results Filter by Subject applied life sciences (1) basic biological sciences (1) cell cycle (1) crystal structure (1) enzymes (1) methylation (1) mutants (1) phosphatases ...

  14. systems-studies | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    focusing on one primary product, methanol, which also serves as a readily-transportable intermediate to many other products including olefins, gasoline, and di-methyl ether (DME). ...

  15. Comparison of SPME headspace analysis to U.S. EPA method5030/8260B for MTBE monitoring

    SciTech Connect (OSTI)

    Stringfellow, William T.; Oh, Kuen-Chan

    2005-02-01

    A novel method for analysis of methyl tert-butyl ether andtert-butyl alcohol using solid phase microextraction is described andcompared to a standard method.

  16. 2013 Annual Merit Review Results Report - Acronyms

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... Market Assessment of Advanced Automotive Technologies MAP Microwave Assisted Plasma MATLAB Numerical Analysis Software MB Methyl Butyrate MB Mercedes Benz MCH Methylcyclohexane ...

  17. Transesterification: Laboratory Analytical Procedure (LAP) Van...

    Office of Scientific and Technical Information (OSTI)

    Wychen, S.; Laurens, L. M. L. 09 BIOMASS FUELS; 59 BASIC BIOLOGICAL SCIENCES BIOMASS; ALGAE; LABORATORY ANALYTICAL PROCEDURES; LAPS; TOTAL LIPIDS; FATTY ACID METHYL ESTERS; FAME;...

  18. "Title","Creator/Author","Publication Date","OSTI Identifier...

    Office of Scientific and Technical Information (OSTI)

    Bioenergy Technologies Office","09 BIOMASS FUELS; 59 BASIC BIOLOGICAL SCIENCES BIOMASS; ALGAE; LABORATORY ANALYTICAL PROCEDURES; LAPS; TOTAL LIPIDS; FATTY ACID METHYL ESTERS; FAME;...

  19. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    LAP Van Wychen S Laurens L M L BIOMASS FUELS BASIC BIOLOGICAL SCIENCES BIOMASS ALGAE LABORATORY ANALYTICAL PROCEDURES LAPS TOTAL LIPIDS FATTY ACID METHYL ESTERS FAME...

  20. Search for: All records | Data Explorer

    Office of Scientific and Technical Information (OSTI)

    carbon transformation and mercury methylation for tundra soils from Barrow, Alaska. ... alcohols, and organic acids were analyzed, and CH4 and CO2 emissions were quantified. ...

  1. Synthesis and tribological behavior of silicon oxycarbonitride...

    Office of Scientific and Technical Information (OSTI)

    poly(urea)methyl vinyl silazane. Citation Details In-Document Search Title: Synthesis and tribological behavior of silicon oxycarbonitride thin films derived from poly(urea)methy...

  2. Prediction of epigenetically regulated genes in breast cancer cell lines

    SciTech Connect (OSTI)

    Loss, Leandro A; Sadanandam, Anguraj; Durinck, Steffen; Nautiyal, Shivani; Flaucher, Diane; Carlton, Victoria EH; Moorhead, Martin; Lu, Yontao; Gray, Joe W; Faham, Malek; Spellman, Paul; Parvin, Bahram

    2010-05-04

    Methylation of CpG islands within the DNA promoter regions is one mechanism that leads to aberrant gene expression in cancer. In particular, the abnormal methylation of CpG islands may silence associated genes. Therefore, using high-throughput microarrays to measure CpG island methylation will lead to better understanding of tumor pathobiology and progression, while revealing potentially new biomarkers. We have examined a recently developed high-throughput technology for measuring genome-wide methylation patterns called mTACL. Here, we propose a computational pipeline for integrating gene expression and CpG island methylation profles to identify epigenetically regulated genes for a panel of 45 breast cancer cell lines, which is widely used in the Integrative Cancer Biology Program (ICBP). The pipeline (i) reduces the dimensionality of the methylation data, (ii) associates the reduced methylation data with gene expression data, and (iii) ranks methylation-expression associations according to their epigenetic regulation. Dimensionality reduction is performed in two steps: (i) methylation sites are grouped across the genome to identify regions of interest, and (ii) methylation profles are clustered within each region. Associations between the clustered methylation and the gene expression data sets generate candidate matches within a fxed neighborhood around each gene. Finally, the methylation-expression associations are ranked through a logistic regression, and their significance is quantified through permutation analysis. Our two-step dimensionality reduction compressed 90% of the original data, reducing 137,688 methylation sites to 14,505 clusters. Methylation-expression associations produced 18,312 correspondences, which were used to further analyze epigenetic regulation. Logistic regression was used to identify 58 genes from these correspondences that showed a statistically signifcant negative correlation between methylation profles and gene expression in the panel of breast cancer cell lines. Subnetwork enrichment of these genes has identifed 35 common regulators with 6 or more predicted markers. In addition to identifying epigenetically regulated genes, we show evidence of differentially expressed methylation patterns between the basal and luminal subtypes. Our results indicate that the proposed computational protocol is a viable platform for identifying epigenetically regulated genes. Our protocol has generated a list of predictors including COL1A2, TOP2A, TFF1, and VAV3, genes whose key roles in epigenetic regulation is documented in the literature. Subnetwork enrichment of these predicted markers further suggests that epigenetic regulation of individual genes occurs in a coordinated fashion and through common regulators.

  3. Occupation Codes

    Energy Savers [EERE]

    ... from effects of high, low, or changes in air pressure. ... 0311 METHYL ALCOHOL (OR METHANOL) Carbinol Wood spirits ... Includes: Fixtures, load indicators, hooks, shackles, ...

  4. Slide 0

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    compensate for the effects of different injection sizes and sample concentration *The peak ... of Fatty Acid Methyl Esters (FAMEs) Methanol content * The methanol content of the ...

  5. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... for maintenance of cytosine methylation at CpG dinucleotides in the mammalian genome. ... mechanism and provide insight into the evolution of ubiquitin activation. less August ...

  6. Photoionization mass spectrometric measurements of initial reaction pathways in low-temperature oxidation of 2,5-dimethylhexane

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Rotavera, Brandon; Zádor, Judit; Welz, Oliver; Sheps, Leonid; Scheer, Adam M.; Savee, John D.; Akbar Ali, Mohamad; Lee, Taek Soon; Simmons, Blake A.; Osborn, David L.; et al

    2014-09-19

    The product formation from R + O2 reactions relevant to low-temperature autoignition chemistry was studied for 2,5-dimethylhexane, a symmetrically branched octane isomer, at 550 and 650 K using Cl-atom initiated oxidation and multiplexed photoionization mass spectrometry (MPIMS). The interpretation of time- and photon-energy-resolved mass spectra led to three specific results important to characterizing the initial oxidation steps: (1) quantified isomer-resolved branching ratios for HO2 + alkene channels; (2) 2,2,5,5-tetramethyltetrahydrofuran is formed in substantial yield from addition of O2 to tertiary 2,5-dimethylhex-2-yl followed by isomerization of the resulting ROO adduct to tertiary hydroperoxyalkyl (QOOH) and exhibits a positive dependence on temperaturemore » over the range covered leading to a higher flux relative to aggregate cyclic ether yield. The higher relative flux is explained by a 1,5-hydrogen atom shift reaction that converts the initial primary alkyl radical (2,5-dimethylhex-1-yl) to the tertiary alkyl radical 2,5-dimethylhex-2-yl, providing an additional source of tertiary alkyl radicals. Furthermore, quantum-chemical and master-equation calculations of the unimolecular decomposition of the primary alkyl radical reveal that isomerization to the tertiary alkyl radical is the most favorable pathway, and is favored over O2-addition at 650 K under the conditions herein. The isomerization pathway to tertiary alkyl radicals therefore contributes an additional mechanism to 2,2,5,5-tetramethyltetrahydrofuran formation; (3) carbonyl species (acetone, propanal, and methylpropanal) consistent with β-scission of QOOH radicals were formed in significant yield, indicating unimolecular QOOH decomposition into carbonyl + alkene + OH.« less

  7. Secondary battery containing zinc electrode with modified separator and method

    DOE Patents [OSTI]

    Poa, D.S.

    1984-02-16

    A battery containing a zinc electrode with a porous separator between the anode and cathode. The separator is a microporous substrate carrying therewith an organic solvent of benzene, toluene or xylene with a tertiary organic amine therein, wherein the tertiary amine has three carbon chains each containing from six to eight carbon atoms. The separator reduces the rate of zinc dentrite growth in the separator during battery operation prolonging battery life by preventing short circuits. A method of making the separator is also disclosed.

  8. Final Report for NA-22/DTRA Cosmic Ray Project

    SciTech Connect (OSTI)

    Wurtz, Ron E.; Chapline, George F.; Glenn, Andrew M.; Nakae, Les F.; Pawelczak, Iwona A.; Sheets, Steven A.

    2015-07-21

    The primary objective of this project was to better understand the time-correlations between the muons and neutrons produced as a result of high energy primary cosmic ray particles hitting the atmosphere, and investigate whether these time correlations might be useful in connection with the detection of special nuclear materials. During the course of this project we did observe weak correlations between secondary cosmic ray muons and cosmic ray induced fast neutrons. We also observed strong correlations between tertiary neutrons produced in a Pb pile by secondary cosmic rays and minimum ionizing particles produced in association with the tertiary neutrons.

  9. Secondary battery containing zinc electrode with modified separator and method

    DOE Patents [OSTI]

    Poa, David S.; Yao, Neng-Ping

    1985-01-01

    A battery containing a zinc electrode with a porous separator between the anode and cathode. The separator is a microporous substrate carrying therewith an organic solvent of benzene, toluene or xylene with a tertiary organic amine therein, wherein the tertiary amine has three carbon chains each containing from six to eight carbon atoms. The separator reduces the rate of zinc dentrite growth in the separator during battery operation prolonging battery life by preventing short circuits. A method of making the separator is also disclosed.

  10. Bifunctional anion-exchange resins with improved selectivity and exchange kinetics

    DOE Patents [OSTI]

    Alexandratos, Spiro D. (Knoxville, TN); Brown, Gilbert M. (Knoxville, TN); Bonnesen, Peter V. (Knoxville, TN); Moyer, Bruce A. (Oak Ridge, TN)

    2000-01-01

    Disclosed herein are a class of anion exchange resins containing two different exchange sites with improved selectivity and sorptive capability for chemical species in solution, such as heptavalent technetium (as pertechnetate anion, TcO.sub.4.sup.-). The resins are prepared by first reacting haloalkylated crosslinked copolymer beads with a large tertiary amine in a solvent in which the resin beads can swell, followed by reaction with a second, smaller, tertiary amine to more fully complete the functionalization of the resin. The resins have enhanced selectivity, capacity, and exchange kinetics.

  11. Compact intermediates in RNA folding

    SciTech Connect (OSTI)

    Woodson, S.A. (JHU)

    2011-12-14

    Large noncoding RNAs fold into their biologically functional structures via compact yet disordered intermediates, which couple the stable secondary structure of the RNA with the emerging tertiary fold. The specificity of the collapse transition, which coincides with the assembly of helical domains, depends on RNA sequence and counterions. It determines the specificity of the folding pathways and the magnitude of the free energy barriers to the ensuing search for the native conformation. By coupling helix assembly with nascent tertiary interactions, compact folding intermediates in RNA also play a crucial role in ligand binding and RNA-protein recognition.

  12. Spatiotemporal temperature and density characterization of high-power

    Office of Scientific and Technical Information (OSTI)

    atmospheric flashover discharges over inert poly(methyl methacrylate) and energetic pentaerythritol tetranitrate dielectric surfaces (Journal Article) | SciTech Connect Spatiotemporal temperature and density characterization of high-power atmospheric flashover discharges over inert poly(methyl methacrylate) and energetic pentaerythritol tetranitrate dielectric surfaces Citation Details In-Document Search Title: Spatiotemporal temperature and density characterization of high-power atmospheric

  13. Dye system for dye laser applications

    DOE Patents [OSTI]

    Hammond, Peter R.

    1991-01-01

    A dye of the DCM family, [2-methyl-6-[2-(1,2,3,4-tetrahydro-1-methyl-6-quinolinyl)ethenyl]-4H-pyran -4-ylidene]-propanedinitrile, dissolved in 2-phenoxyethanol, is non-mutagenic, stable and efficient, particularly in a pumped continuous wave laser system.

  14. Nonaqueous polypyrrole colloids

    DOE Patents [OSTI]

    Armes, Steven P. (Los Alamos, NM); Aldissi, Mahmoud (Santa Fe, NM)

    1991-01-01

    Processable conductive polymers including an oxidized, polymerized aromatic heterocyclic monomer, e.g., pyrrole, an stabilizing effective amount of a poly(vinyl acetate) and dopant anions, and a process of preparing said processable conductive polymers directly in a nonaqueous medium such as methyl acetate, methyl formate, ethyl formate, and propyl formate are disclosed.

  15. Concentration Dependent Speciation and Mass Transport Properties of Switchable Polarity Solvents

    SciTech Connect (OSTI)

    Aaron D. Wilson; Christopher J. Orme

    2014-12-01

    Tertiary amine switchable polarity solvents (SPS) consisting of predominantly water, tertiary amine, and tertiary ammonium and bicarbonate ions were produced at various concentrations for three different amines: N,N-dimethylcyclohexylamine, N,N-dimethyloctylamine, and 1 cyclohexylpiperidine. For all concentrations, physical properties were measured including viscosity, molecular diffusion coefficients, freezing point depression, and density. Based on these measurements a variation on the Mark Houwink equation was developed to predict the viscosity of any tertiary amine SPS as a function of concentration using the amines molecular mass. The observed physical properties allowed the identification of solution state speciation of non-osmotic SPS, where the amine to carbonic acid ratio is significantly greater than one. These results indicate that at most concentrations the stoichiometric excess amine is involved in solvating a proton with two amines. The physical properties of osmotic SPS have consistent concentration dependence behavior over a wide range of concentrations; this consistence suggests osmotic pressures based on low concentrations freezing point studies can be reliably extrapolated to higher concentrations.

  16. Petroleum systems of Jianghan Basin, Hubel Province, China

    SciTech Connect (OSTI)

    Cunningham, A.E.; Schaps, S.; McGregor, D.

    1996-12-31

    The Jianghan Basin is a Cretaceous-Tertiary nonmarine rift basin superimposed on a late Precambrian to Jurassic passive margin and foreland basin succession deformed by mid-Mesozoic folding and thrusting. Hence the basin has potential for superimposed petroleum systems. Oil production is established in a Tertiary petroleum system developed in two major depocenters, the Jiangling (west) and Qianjiang (east) Depressions. Lacustrine source beds in the early Eocene Xingouzhui and late Eocene Qianjiang Formations generated hydrocarbons during local maximum basin fill in the Oligocene to present. Very early, low temperature generation of petroleum occurs where Type 1S Qianjiang Formation kerogen is present. Tertiary fluvial and deltaic sandstones form reservoirs that trap oil in highs or rollover structures formed by normal faulting and salt movement. The pre-rift section contains large folds and good source-beds, but has high exploration risk. Factors limiting effectiveness of older petroleum systems are: (1) Uplift and erosion of thrust structures; (2) Overmaturation of pre-Permian source rocks prior to folding and thrusting; (3) Limited extent of secondary maturation of Late Paleozoic and Mesozoic source beds; and (4) Disruption of older traps and seals by widespread normal faulting. Production of hydrocarbons from Permian and Triassic rocks to the west of Hubei suggests that further seismic work and drilling are merited to evaluate pre-Tertiary potential in the Jianghan Basin.

  17. Petroleum systems of Jianghan Basin, Hubel Province, China

    SciTech Connect (OSTI)

    Cunningham, A.E. ); Schaps, S.; McGregor, D. )

    1996-01-01

    The Jianghan Basin is a Cretaceous-Tertiary nonmarine rift basin superimposed on a late Precambrian to Jurassic passive margin and foreland basin succession deformed by mid-Mesozoic folding and thrusting. Hence the basin has potential for superimposed petroleum systems. Oil production is established in a Tertiary petroleum system developed in two major depocenters, the Jiangling (west) and Qianjiang (east) Depressions. Lacustrine source beds in the early Eocene Xingouzhui and late Eocene Qianjiang Formations generated hydrocarbons during local maximum basin fill in the Oligocene to present. Very early, low temperature generation of petroleum occurs where Type 1S Qianjiang Formation kerogen is present. Tertiary fluvial and deltaic sandstones form reservoirs that trap oil in highs or rollover structures formed by normal faulting and salt movement. The pre-rift section contains large folds and good source-beds, but has high exploration risk. Factors limiting effectiveness of older petroleum systems are: (1) Uplift and erosion of thrust structures; (2) Overmaturation of pre-Permian source rocks prior to folding and thrusting; (3) Limited extent of secondary maturation of Late Paleozoic and Mesozoic source beds; and (4) Disruption of older traps and seals by widespread normal faulting. Production of hydrocarbons from Permian and Triassic rocks to the west of Hubei suggests that further seismic work and drilling are merited to evaluate pre-Tertiary potential in the Jianghan Basin.

  18. Polymide gas separation membranes

    DOE Patents [OSTI]

    Ding, Yong; Bikson, Benjamin; Nelson, Joyce Katz

    2004-09-14

    Soluble polyamic acid salt (PAAS) precursors comprised of tertiary and quaternary amines, ammonium cations, sulfonium cations, or phosphonium cations, are prepared and fabricated into membranes that are subsequently imidized and converted into rigid-rod polyimide articles, such as membranes with desirable gas separation properties. A method of enhancing solubility of PAAS polymers in alcohols is also disclosed.

  19. pH-sensitive methacrylic copolymers and the production thereof

    DOE Patents [OSTI]

    Mallapragada, Surya K.; Anderson, Brian C.; Bloom, Paul D.; Sheares Ashby, Valerie V.

    2007-01-09

    The present invention provides novel multi-functional methacrylic copolymers that exhibit cationic pH-sensitive behavior as well as good water solubility under acidic conditions. The copolymers are constructed from tertiary amine methacrylates and poly(ethylene glycol) containing methacrylates. The copolymers are useful as gene vectors, pharmaceutical carriers, and in protein separation applications.

  20. pH-sensitive methacrylic copolymers and the production thereof

    DOE Patents [OSTI]

    Mallapragada, Surya K.; Anderson, Brian C.; Bloom, Paul D.; Sheares Ashby, Valerie V.

    2006-02-14

    The present invention provides novel multi-functional methacrylic copolymers that exhibit cationic pH-sensitive behavior as well as good water solubility under acidic conditions. The copolymers are constructed from tertiary amine methacrylates and poly(ethylene glycol) containing methacrylates. The copolymers are useful as gene vectors, pharmaceutical carriers, and in protein separation applications.

  1. Synthesis and SAR of potent LXR agonists containing an indole pharmacophore

    SciTech Connect (OSTI)

    Washburn, David G.; Hoang, Tram H.; Campobasso, Nino; Smallwood, Angela; Parks, Derek J.; Webb, Christine L.; Frank, Kelly A.; Nord, Melanie; Duraiswami, Chaya; Evans, Christopher; Jaye, Michael; Thompson, Scott K.

    2009-03-27

    A novel series of 1H-indol-1-yl tertiary amine LXR agonists has been designed. Compounds from this series were potent agonists with good rat pharmacokinetic parameters. In addition, the crystal structure of an LXR agonist bound to LXR{alpha} will be disclosed.

  2. Downhole steam generator with improved preheating, combustion, and protection features

    DOE Patents [OSTI]

    Fox, R.L.

    1981-01-07

    For tertiary oil recovery, a downhole steam generator is designed which provides for efficient counterflow cooling of the combustion chamber walls and preheating of the fuel and water. Pressure-responsive doors are provided for closing and opening the outlet in response to flameout, thereby preventing flooding of the combustion chamber. (DLC)

  3. Phosphine nickel complex as catalyst in reactions of organic bromides RBr with {alpha},{beta}-unsaturated ketones, nitriles, and esters. Conjugate addition of R group and H atom across the C=C bond

    SciTech Connect (OSTI)

    Lebedev, S.A.; Lopatina, V.S.; Petrov, E.S.

    1995-09-10

    Reactions of organic bromides, particularly of secondary and tertiary alkyl bromides, with {alpha},{beta}-unsaturated carbonyl compounds and acrylonitrile in the presence of the catalytic system nickel complex-zinc. The products correspond to the conjugate addition of the organic moiety of the bromide and a hydrogen atom across the C=C double bond of the unsaturated substrate. 9 refs., 1 tab.

  4. Preliminary gravity inversion model of basins east of Yucca Flat, Nevada Test Site, Nevada.

    SciTech Connect (OSTI)

    Geoffrey A. Phelps; Carter W. Roberts, and Barry C. Moring

    2006-03-17

    The Yucca Flat eastern extension study area, a 14 kilometer by 45 kilometer region contiguous to Yucca Flat on the west and Frenchman Flat on the south, is being studied to expand the boundary of the Yucca Flat hydrogeologic model. The isostatic residual gravity anomaly was inverted to create a model of the depth of the geologic basins within the study area. Such basins typically are floored by dense pre-Tertiary basement rocks and filled with less-dense Tertiary volcanic and sedimentary rocks and Quaternary alluvium, a necessary condition for the use of gravity modeling to predict the depth to the pre-Tertiary basement rocks within the basins. Three models were created: a preferred model to represent the best estimate of depth to pre-Tertiary basement rocks in the study area, and two end-member models to demonstrate the possible range of solutions. The preferred model predicts shallow basins, generally less than 1,000m depth, throughout the study area, with only Emigrant Valley reaching a depth of 1,100m. Plutonium valley and West Fork Scarp Canyon have maximum depths of 800m and 1,000m, respectively. The end-member models indicate that the uncertainty in the preferred model is less than 200m for most of the study area.

  5. Sr-isotopic composition of marbles from the Puerto Galera area (Mindoro, Philippines): additional evidence for a Paleozoic age of a metamorphic complex in the Philippine island arc

    SciTech Connect (OSTI)

    Knittel, U.; Daniels, U.

    1987-02-01

    The Sr-isotopic composition of marbles from the Puerto Galera area (Mindoro, Philippines) is compatible with either a Tertiary or a Paleozoic age. The former is considered as unlikely because nonmetamorphic sediments of that age overlie the metamorphic complex. This implies that the metamorphic complex does not represent the basement of the Philippine arc but is an accreted terrane.

  6. Biofuel and chemical production by recombinant microorganisms via fermentation of proteinaceous biomass

    DOE Patents [OSTI]

    Liao, James C.; Cho, Kwang Myung; Yan, Yajun; Huo, Yixin

    2016-03-15

    Provided herein are metabolically modified microorganisms characterized by having an increased keto-acid flux when compared with the wild-type organism and comprising at least one polynucleotide encoding an enzyme that when expressed results in the production of a greater quantity of a chemical product when compared with the wild-type organism. The recombinant microorganisms are useful for producing a large number of chemical compositions from various nitrogen containing biomass compositions and other carbon sources. More specifically, provided herein are methods of producing alcohols, acetaldehyde, acetate, isobutyraldehyde, isobutyric acid, n-butyraldehyde, n-butyric acid, 2-methyl-1-butyraldehyde, 2-methyl-1-butyric acid, 3-methyl-1-butyraldehyde, 3-methyl-1-butyric acid, ammonia, ammonium, amino acids, 2,3-butanediol, 1,4-butanediol, 2-methyl-1,4-butanediol, 2-methyl-1,4-butanediamine, isobutene, itaconate, acetoin, acetone, isobutene, 1,5-diaminopentane, L-lactic acid, D-lactic acid, shikimic acid, mevalonate, polyhydroxybutyrate (PHB), isoprenoids, fatty acids, homoalanine, 4-aminobutyric acid (GABA), succinic acid, malic acid, citric acid, adipic acid, p-hydroxy-cinnamic acid, tetrahydrofuran, 3-methyl-tetrahydrofuran, gamma-butyrolactone, pyrrolidinone, n-methylpyrrolidone, aspartic acid, lysine, cadeverine, 2-ketoadipic acid, and/or S-adenosyl-methionine (SAM) from a suitable nitrogen rich biomass.

  7. Progress Report on Alloy 617 Time Dependent Allowables

    SciTech Connect (OSTI)

    Wright, Julie Knibloe

    2015-06-01

    Time dependent allowable stresses are required in the ASME Boiler and Pressure Vessel Code for design of components in the temperature range where time dependent deformation (i.e., creep) is expected to become significant. There are time dependent allowable stresses in Section IID of the Code for use in the non-nuclear construction codes, however, there are additional criteria that must be considered in developing time dependent allowables for nuclear components. These criteria are specified in Section III NH. St is defined as the lesser of three quantities: 100% of the average stress required to obtain a total (elastic, plastic, primary and secondary creep) strain of 1%; 67% of the minimum stress to cause rupture; and 80% of the minimum stress to cause the initiation of tertiary creep. The values are reported for a range of temperatures and for time increments up to 100,000 hours. These values are determined from uniaxial creep tests, which involve the elevated temperature application of a constant load which is relatively small, resulting in deformation over a long time period prior to rupture. The stress which is the minimum resulting from these criteria is the time dependent allowable stress St. In this report data from a large number of creep and creep-rupture tests on Alloy 617 are analyzed using the ASME Section III NH criteria. Data which are used in the analysis are from the ongoing DOE sponsored high temperature materials program, form Korea Atomic Energy Institute through the Generation IV VHTR Materials Program and historical data from previous HTR research and vendor data generated in developing the alloy. It is found that the tertiary creep criterion determines St at highest temperatures, while the stress to cause 1% total strain controls at low temperatures. The ASME Section III Working Group on Allowable Stress Criteria has recommended that the uncertainties associated with determining the onset of tertiary creep and the lack of significant cavitation associated with early tertiary creep strain suggest that the tertiary creep criteria is not appropriate for this material. If the tertiary creep criterion is dropped from consideration, the stress to rupture criteria determines St at all but the lowest temperatures.

  8. SU-E-T-297: Small Field Dosimetry for Superficial Lesions

    SciTech Connect (OSTI)

    Ying, J; Casto, B; Wang, S; Talyor, T; Wichman, A; Ku, L; Taylor, M

    2014-06-01

    Purpose: Kilo-voltage (kV) photons and low megavoltage (MeV) electrons are the most common options for treating small superficial lesions, but they present complex dosimetry. Using a tertiary lead shield may protect the surrounding critical structures. Our goal was to quantitatively evaluate the dosimetric impact resulting from applying tertiary shields on superficial lesions. Method: We directly compared the beam characteristics of 80 kV (0.8 mm Al) photon setup abutting the water phantom surface and 6 MeV electron setup at 100 cm SSD. Profiles and depth doses were acquired using a 3D scanning water tank and an ion chamber (active volume 0.01 cm{sup 3}). Beam profiles were scanned at Dmax. Three lead sheets (2 mm thickness) with 2.7, 2.2, and 1.6, cm diameter circular cutouts were fabricated and placed at the water surface for both photon and electron fields. Results: The penumbra (80% 20%) of the open 44 cm{sup 2} electron insert was 10.7 mm, compared to an average of 7.2 mm with the tertiary cutouts. The penumbra of the open kV photon beam was 2.8 mm compared to an average of 1.8 mm with the tertiary cutouts. For field widths 2.7, 2.2, and 1.6 cm, the flatness of the electron beams was 16%, 17.3%, and 21%, respectively, and for the kV photon beams was 1.4%, 2.3%, 3.3%, respectively. The electron depth dose (PDD) shifted shallower and the photon PDD shifted deeper as the field size became smaller. Conclusion: The penumbra of small electron fields can be improved by adding tertiary lead shields. Both modalities are clinically feasible; however, kV photons still offer sharper penumbra and better flatness than that of 6 MeV electrons with tertiary shielding. Thus, kV photons may still be a superior option for small superficial lesions.

  9. Stanford Synchrotron Radiation Lightsource

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    as a dissociative anesthetic acting as a noncompetitive antagonist on the N-methyl-D-aspartate (NMDA) receptor, it is also a potent inhibitor of neuronal nAChRs, and the sites of...

  10. Molecular Design of Near-IR Harvesting Unsymmetrical Squaraine Dyes

    SciTech Connect (OSTI)

    Kim, Sanghoon; Mor, Gopal K.; Paulose, Maggie; Varghese, Oomman K.; Baik, Chul; Grimes, Craig A.

    2010-08-17

    The functionalized unsymmetrical benzothiazole squaraine organic sensitizers 5-carboxy-2-({3-[(3-hexylbenzothiazol-2(3H)-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene}methyl)-1-hexyl-3,3-dimethyl-3H-indolium (hereafter named as SK-11) and 5-carboxy-2-({3-[(3-hexyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene}methyl)-1-hexyl-3,3-dimethyl-3H-indolium (coded as SK-12) are designed and developed to observe an intense and wider absorption band in the red/NIR wavelength region. DFT/TDDFT calculations have been performed on the two unsymmetrical squaraine sensitizers to gain insight into their electronic and optical properties. The utility of these dyes in solid state dye sensitized solar cells (SS-DSSCs) is demonstrated.

  11. This Week In Petroleum Printer-Friendly Version

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    2, 2009 (Next Release on April 29, 2009) Accounting for Biodiesel Methyl Esters? No, it is not the name of the lead in a John Waters film, or of some gun-toting moll from 1940s...

  12. Compositions of alkyl 4-[o-(substituted amino)phenyl]-3-thioallophanates and methods of use

    DOE Patents [OSTI]

    Adams, Charles De Witt

    1977-03-01

    Various alkyl 4-[o-(substituted amino)phenyl]-3-thioallophanates are useful as fungicides and mite ovicides. An exemplary specie is methyl 4-(o-butyramidophenyl)-3-thioallophanate.

  13. How the Membrane Protein AmtB Transports Ammonia

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    were grown in the absence of any ammonium derivative and in the presence of ammonium sulfate or methyl ammonium sulfate. A stereo view of the monomeric ammonia channel viewed...

  14. Monolignol 4-O-methyltransferases and uses thereof

    DOE Patents [OSTI]

    Liu, Chang-Jun; Bhuiya, Mohammad-Wadud; Zhang, Kewei

    2014-11-18

    Modified (iso)eugenol 4-O-methyltransferase enzymes having novel capacity for methylation of monolignols and reduction of lignin polymerization in plant cell wall are disclosed. Sequences encoding the modified enzymes are disclosed.

  15. UCRL--53232

    Office of Scientific and Technical Information (OSTI)

    ... received f a r less scrutiny than t h e effects caused by t h e ingestion of foods (e+, fish and seed grains) contaminated with t h e methylated form of mercury. 63764 ...

  16. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    9.0.2. To examine how the molecules were bonded, the team first created a gaseous molecular beam of methylated uracil monomers and dimers, then ionized them with vacuum...

  17. Process for the production of .sup.18 F-2-deoxy-2-fluoro-D-glucose

    DOE Patents [OSTI]

    Elmaleh, David R.; Levy, Shlomo; Shiue, Chyng-Yann; Wolf, Alfred P.

    1986-01-01

    Process for the production of 2-deoxy-2-fluoro-D-glucose and the corresponding .sup.18 F-compound in which methyl 4,6-O-benzylidine-3-O-methyl-2-O-trifluoromethanesulfonyl-.beta.-D-mannopy ranoside is reacted with a triflating reagent, the resulting compound reacted with CsHF.sub.2, RbF or the corresponding .sup.18 F-compounds, and thereafter the alkyl groups removed by hydrolysis.

  18. Alternative Fuels Data Center

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Ethanol and Methanol Tax Ethyl alcohol and methyl alcohol motor fuels are taxed at a rate of $0.14 per gallon when used as a motor fuel. Ethyl alcohol is defined as a motor fuel that is typically derived from agricultural products that have been denatured. Methyl alcohol is a motor fuel that is most commonly derived from wood products. (Reference South Dakota Statutes 10-47B-3 and 10-47B-4

  19. Method For Reactivating Solid Catalysts Used For Alklation Reactions

    DOE Patents [OSTI]

    Ginosar, Daniel M.; Thompson, David N.; Coates, Kyle; Zalewski, David J.; Fox, Robert V.

    2005-05-03

    A method for reactivating a solid alkylation catalyst is provided which can be performed within a reactor that contains the alkylation catalyst or outside the reactor. Effective catalyst reactivation is achieved whether the catalyst is completely deactivated or partially deactivated. A fluid reactivating agent is employed to dissolve catalyst fouling agents and also to react with such agents and carry away the reaction products. The deactivated catalyst is contacted with the fluid reactivating agent under pressure and temperature conditions such that the fluid reactivating agent is dense enough to effectively dissolve the fouling agents and any reaction products of the fouling agents and the reactivating agent. Useful pressures and temperatures for reactivation include near-critical, critical, and supercritical pressures and temperatures for the reactivating agent. The fluid reactivating agent can include, for example, a branched paraffin containing at least one tertiary carbon atom, or a compound that can be isomerized to a molecule containing at least one tertiary carbon atom.

  20. Method for reactivating solid catalysts used in alkylation reactions

    DOE Patents [OSTI]

    Ginosar, Daniel M.; Thompson, David N.; Coates, Kyle; Zalewski, David J.; Fox, Robert V.

    2003-06-17

    A method for reactivating a solid alkylation catalyst is provided which can be performed within a reactor that contains the alkylation catalyst or outside the reactor. Effective catalyst reactivation is achieved whether the catalyst is completely deactivated or partially deactivated. A fluid reactivating agent is employed to dissolve catalyst fouling agents and also to react with such agents and carry away the reaction products. The deactivated catalyst is contacted with the fluid reactivating agent under pressure and temperature conditions such that the fluid reactivating agent is dense enough to effectively dissolve the fouling agents and any reaction products of the fouling agents and the reactivating agent. Useful pressures and temperatures for reactivation include near-critical, critical, and supercritical pressures and temperatures for the reactivating agent. The fluid reactivating agent can include, for example, a branched paraffin containing at least one tertiary carbon atom, or a compound that can be isomerized to a molecule containing at least one tertiary carbon atom.

  1. Forsterite film formation and grain growth in 3% Si steel

    SciTech Connect (OSTI)

    Cunha, M.A.; Cesar, M.G.M.M. )

    1994-11-01

    The forsterite film in 3% Si steel is formed by a solid state reaction of the annealing separator, MgO, with SiO[sub 2] that results from the reduction of the fayalite layer in the hydrogen atmosphere in the high temperature anneal. In this work, secondary recrystallization was about complete at 1,000 C. After that temperature tertiary recrystallization can occur if the boundary drag of the second phase particles can be overcome. Addition of phosphates to the annealing separator affects the morphology of the forsterite film and can have an important effect on tertiary recrystallization by affecting the rate of decrease of the boundary-drag and/or the surface energy relationship.

  2. Alvord (3,000-ft strawn) LPG flood - design and performance evaluation

    SciTech Connect (OSTI)

    Frazier, G.D.; Todd, M.R.

    1982-01-01

    Mitchell Energy Corporation has implemented a LPG-dry gas miscible process in the Alvord (3000' Strawn) Unit in Wise County, Texas utilizing the DOE tertiary incentive program. The field had been waterflooded for 14 years and was producing near its economic limit at the time this project was started. This paper presents the results of the reservoir simulation study that was conducted to evaluate pattern configuration and operating alternatives so as to maximize LPG containment and oil recovery performance. Several recommendations resulting from this study were implemented for the project. Based on the model predictions, tertiary oil recovery is expected to be between 100,000 and 130,000 bbls, or about 7 percent of the oil originally in place in the Unit. 12 refs.

  3. Thoughts Regarding the Dimensions of Faults at Rainier and Aqueduct Mesas, Nye County, Nevada, Based on Surface and Underground Mapping

    SciTech Connect (OSTI)

    Drellack, S.L.; Prothro, L.B.; Townsend, M.J.; Townsend, D.R.

    2011-02-01

    The geologic setting and history, along with observations through 50 years of detailed geologic field work, show that large-displacement (i.e., greater than 30 meters of displacement) syn- to post-volcanic faults are rare in the Rainier Mesa area. Faults observed in tunnels and drill holes are mostly tight, with small displacements (most less than 1.5 meters) and small associated damage zones. Faults are much more abundant in the zeolitized tuffs than in the overlying vitric tuffs, and there is little evidence that faults extend downward from the tuff section through the argillic paleocolluvium into pre-Tertiary rocks. The differences in geomechanical characteristics of the various tuff lithologies at Rainier Mesa suggest that most faults on Rainer Mesa are limited to the zeolitic units sandwiched between the overlying vitric bedded tuffs and the underlying pre-Tertiary units (lower carbonate aquifer3, lower clastic confining unit1, and Mesozoic granite confining unit).

  4. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2007-09-17

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran et al. for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO2 production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

  5. Physicochemical properties and toxicities of hydrophobicpiperidinium and pyrrolidinium ionic liquids

    SciTech Connect (OSTI)

    Salminen, Justin; Papaiconomou, Nicolas; Kumar, R. Anand; Lee,Jong-Min; Kerr, John; Newman, John; Prausnitz, John M.

    2007-06-25

    Some properties are reported for hydrophobic ionic liquids (IL) containing 1-methyl-1-propyl pyrrolidinium [MPPyrro]{sup +}, 1-methyl-1-butyl pyrrolidinium [MBPyrro]{sup +}, 1-methyl-1-propyl piperidinium [MPPip]{sup +}, 1-methyl-1-butyl piperidinium [MBPip]{sup +}, 1-methyl-1-octylpyrrolidinium [MOPyrro]{sup +} and 1-methyl-1-octylpiperidinium [MOPip]{sup +} cations. These liquids provide new alternatives to pyridinium and imidazolium ILs. High thermal stability of an ionic liquid increases safety in applications like rechargeable lithium-ion batteries and other electrochemical devices. Thermal properties, ionic conductivities, viscosities, and mutual solubilities with water are reported. In addition, toxicities of selected ionic liquids have been measured using a human cancer cell-line. The ILs studied here are sparingly soluble in water but hygroscopic. We show some structure-property relationships that may help to design green solvents for specific applications. While ionic liquids are claimed to be environmentally-benign solvents, as yet few data have been published to support these claims.

  6. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2007-09-20

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran et al. for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO{sub 2} production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

  7. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, Olivier; Pitz, William J.; Westbrook, Charles K.

    2008-08-15

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran and co-workers for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet-stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO{sub 2} production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels. (author)

  8. Word Pro - Untitled1

    U.S. Energy Information Administration (EIA) Indexed Site

    chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group: CH 3 -(CH 2 )n-OH (e.g., metha- nol, ethanol, and tertiary butyl alcohol). See Fuel Ethanol. Alternative Fuel: Alternative fuels, for transportation applications, include the following: methanol; denatured ethanol, and other alcohols; fuel mixtures contain- ing 85 percent or more by volume of methanol, denatured ethanol, and other

  9. Enhanced Production of Biofuel Precursors in Microalgae - Energy Innovation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Enhanced Oil Recovery Enhanced Oil Recovery Cross-section illustrating how carbon dioxide and water can be used to flush residual oil from a subsurface rock formation between wells. Cross-section illustrating how carbon dioxide and water can be used to flush residual oil from a subsurface rock formation between wells. Crude oil development and production in U.S. oil reservoirs can include up to three distinct phases: primary, secondary, and tertiary (or enhanced) recovery. During primary

  10. Outline:

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    neutrino scattering results from MiniBooNE Outline: - Intro/Overview/Motivation - Previous Results - New results on neutrino CCQE scattering - Other MB scattering results - Interpretations/Ideas R. Tayloe IU nuc phys seminar 03/2010 MiniBooNE experiment: Booster K + target and horn detector dirt decay region absorber primary beam tertiary beam secondary beam (protons) (mesons) (neutrinos) π + ν µ → ν e ??? - Designed and built (at FNAL) to test the LSND observation of ν oscillations via

  11. Photochemical dimerization and functionalization of alkanes, ethers, primary alcohols and silanes

    DOE Patents [OSTI]

    Crabtree, Robert H. (Bethany, CT); Brown, Stephen H. (East Haven, CT)

    1988-01-01

    The space-time yield and/or the selectivity of the photochemical dimerization of alkanes, ethers, primary alcohols and tertiary silanes with Hg and U.V. light is enhanced by refluxing the substrate in the irradiated reaction zone at a temperature at which the dimer product condenses and remains condensed promptly upon its formation. Cross-dimerization of the alkanes, ethers and silanes with primary alcohols is disclosed, as is the functionalization to aldehydes of the alkanes with carbon monoxide.

  12. Photochemical dimerization and functionalization of alkanes, ethers, primary alcohols and silanes

    DOE Patents [OSTI]

    Crabtree, R.H.; Brown, S.H.

    1988-02-16

    The space-time yield and/or the selectivity of the photochemical dimerization of alkanes, ethers, primary alcohols and tertiary silanes with Hg and U.V. light is enhanced by refluxing the substrate in the irradiated reaction zone at a temperature at which the dimer product condenses and remains condensed promptly upon its formation. Cross-dimerization of the alkanes, ethers and silanes with primary alcohols is disclosed, as is the functionalization to aldehydes of the alkanes with carbon monoxide.

  13. Enhanced Oil Recovery | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Enhanced Oil Recovery Enhanced Oil Recovery Cross-section illustrating how carbon dioxide and water can be used to flush residual oil from a subsurface rock formation between wells. Cross-section illustrating how carbon dioxide and water can be used to flush residual oil from a subsurface rock formation between wells. Crude oil development and production in U.S. oil reservoirs can include up to three distinct phases: primary, secondary, and tertiary (or enhanced) recovery. During primary

  14. Salts of the iodine oxyacids in the impregnation of adsorbent charcoal for trapping radioactive methyliodide

    DOE Patents [OSTI]

    Deitz, Victor R.; Blachly, Charles H.

    1977-04-05

    Radioactive iodine and radioactive methyliodide can be more than 99.7 per cent removed from the air stream of a nuclear reactor by passing the air stream through a 2-inch thick filter which is made up of impregnated charcoal prepared by contacting the charcoal with a solution containing KOH, iodine or an iodide, and an oxyacid, followed by contacting with a solution containing a tertiary amine.

  15. Method for the synthesis of chiral allylic alcohols utilizing selone based chiral derivatizing agents

    DOE Patents [OSTI]

    Silks, III, Louis A.

    2002-01-01

    Molecules containing a chiral 1,2-diol unit are synthesized from reactions between aldehydes and N-acyl selones. A chilled N-acyl selone is reacted with a Lewis acid such as TiCl.sub.4 and mixed with a tertiary amine such as diisopropylethylamine to generate an enolate solution. Upon further chilling of the enolate solution a desired aldehyde is added and after an acceptable reaction period a quencher is introduced and the product isolated.

  16. Downhole steam generator using low-pressure fuel and air supply

    DOE Patents [OSTI]

    Fox, R.L.

    1981-01-07

    For tertiary oil recovery, an apparatus for downhole steam generation is designed in which water is not injected directly onto the flame in the combustor, the combustion process is isolated from the reservoir pressure, the fuel and oxidant are supplied to the combustor at relatively low pressures, and the hot exhaust gases is prevented from entering the earth formation but is used to preheat the fuel and oxidant and water. The combustion process is isolated from the steam generation process. (DLC)

  17. Downhole steam generator having a downhole oxidant compressor

    DOE Patents [OSTI]

    Fox, R.L.

    1981-01-07

    Am improved apparatus is described for the downhole injection of steam into boreholes, for tertiary oil recovery. It includes an oxidant supply, a fuel supply, an igniter, a water supply, an oxidant compressor, and a combustor assembly. The apparatus is designed for efficiency, preheating of the water, and cooling of the combustion chamber walls. The steam outlet to the borehole is provided with pressure-responsive doors for closing the outlet in response to flameout. (DLC)

  18. Microsoft Word - Document6

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Tertiary Storage Keith Fitzgerald - Harvard Holmes NERSC File Storage Group Storage Charging: Questions and Answers Why charge for storage? The answer is for the same reason we charge for CPU time on our compute servers. Our resources have limitations and we have the responsibility to provide a deterministic, automated mechanism which insures that the resources are utilized as DOE desires. Our experience has led us to believe that the most critical resources in the storage environment are: 1.

  19. TORIS Data Preparation Guidelines

    SciTech Connect (OSTI)

    Guinn, H.; Remson, D.

    1999-03-11

    The objective of this manual is to present guidelines and procedures for the preparation of new data for the Tertiary Oil Recovery Information System (TORIS) data base. TORIS is an analytical system currently maintained by the Department of Energy's (DOE) Bartlesville Project Office. It uses an extensive field- and reservoir-level data base to evaluate the technical and economic recovery potential of specific crude oil reservoirs.

  20. Completion Report for Well Cluster ER-6-1

    SciTech Connect (OSTI)

    Bechtel Nevada

    2004-10-01

    Well Cluster ER-6-1 was constructed for the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office in support of the Nevada Environmental Restoration Division at the Nevada Test Site, Nye County, Nevada. This work was initiated as part of the Groundwater Characterization Project, now known as the Underground Test Area Project. The well cluster is located in southeastern Yucca Flat. Detailed lithologic descriptions with stratigraphic assignments for Well Cluster ER-6-1 are included in this report. These are based on composite drill cuttings collected every 3 meters and conventional core samples taken below 639 meters, supplemented by geophysical log data. Detailed petrographic, chemical, and mineralogical studies of rock samples were conducted on 11 samples to resolve complex interrelationships between several of the Tertiary tuff units. Additionally, paleontological analyses by the U.S. Geological Survey confirmed the stratigraphic assignments below 539 meters within the Paleozoic sedimentary section. All three wells in the Well ER-6-1 cluster were drilled within the Quaternary and Tertiary alluvium section, the Tertiary volcanic section, and into the Paleozoic sedimentary section.

  1. Completion Report for Well Cluster ER-5-4

    SciTech Connect (OSTI)

    U.S. Department of Energy, National Nuclear Security Administration, Nevada Site Office; Bechtel Nevada

    2005-02-01

    Well Cluster ER-5-4 was drilled for the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office, in support of the Nevada Environmental Restoration Project at the Nevada Test Site, Nye County, Nevada. The cluster consists of two wells, positioned about 30 meters apart on the same drill pad, constructed as part of a hydrogeologic investigation program for Frenchman Flat at the Nevada Test Site. Detailed lithologic descriptions with preliminary stratigraphic assignments for the well cluster are included in this report. These are based on composite drill cuttings collected every 3 meters, and 156 sidewall samples taken at various depths below 192 meters in both boreholes, supplemented by geophysical log data. Detailed petrographic, chemical, and mineralogical studies of rock samples were conducted on 122 samples. Well ER-5-4 penetrated approximately 1,120 meters of Quaternary and Tertiary alluvium before reaching total depth in Tertiary volcanic rocks at 1,137.5 meters. The deeper Well ER-5-4 No.2 penetrated 1,120.4 meters of alluvial sediments, and was terminated within Tertiary volcanic rocks at a depth of 2,133.6 meters, indicating that Paleozoic rocks are deeper than expected at this site.

  2. Process for the selective removal of hydrogen sulphide and carbonyl sulfide from light hydrocarbon gases containing carbon dioxide

    SciTech Connect (OSTI)

    Bush, W.V.

    1988-06-07

    A process for the selective removal of H/sub 2/S and COS from a gas containing light hydrocarbons, H/sub 2/S, COS and CO/sub 2/, is described which comprises in a one step absorption, at treatment conditions, contacting the gas stream with a solvent stream consisting essentially of: (i) water, (ii) a bridgehead amine comprising a bicyclo tertiary amine or a bicyclo amidine to selectively hydrolyze the COS to H/sub 2/S and CO/sub 2/, (iii) a tertiary amine to selectively absorb the H/sub 2/S and to selectively exclude from absorption the CO/sub 2/ in the gas stream and the CO/sub 2/ produced by the hydrolysis of the COS, and (iv) a physical solvent acceptable for COS absorption wherein two streams are formed comprising: (1) a light hydrocarbon and CO/sub 2/-containing stream having 1 ppm to about 200 ppm H/sub 2/S and having 1 ppm COS to about 10 ppm COS and (2) a solvent stream rich in H/sub 2/S, water, tertiary amine and the bridgehead amine.

  3. Laser-induced temperature jump/time-resolved infrared study of the fast events in protein folding

    SciTech Connect (OSTI)

    Woodruff, W.H.; Dyer, R.B.; Williams, S. [Los Alamos National Laboratory, NM (United States); Callender, H.; Gilmanshin, R. [CUNY, NY (United States)

    1996-10-01

    Laser-induced temperature jump followed by time-resolved infrared probe of reaction dynamics are used to study the temporal evolution of polypeptide structure during protein folding and unfolding. Reactions are initiated in times of 50 ps or longer by T-jumps of 10`s of degrees, obtained by laser excitation of water overtone absorbances. Observation of the Amide I transient absorbances reveal melting lifetimes of helices unconstrained by tertiary structure to be ca. 160 ns in a model 21-peptide and ca. 30 ns in {open_quotes}molten globule{close_quotes} apomyoglobin. No other processes are observed in these systems over the timescale 50 ps to 2 ms. Equilibrium data suggest the corresponding helix formation lifetimes to be ca. 16 and 1 ns, respectively. In {open_quotes}native{close_quotes} apomyoglobin two helix melting lifetimes are observed and we infer that a third occurs on a timescale inaccessible to our experiment (> 1 ms). The shorter observed lifetime, as in the molten globule, is ca. 30 ns. The longer lifetime is ca. 70 {mu}s. We suggest that the slower process is helix melting that is rate-limited by the unfolding of tertiary structure. Equilibrium data suggest a lifetime of ca. 1 {mu}s for the development of these tertiary folds.

  4. Coanda injection system for axially staged low emission combustors

    DOE Patents [OSTI]

    Evulet, Andrei Tristan (Clifton Park, NY); Varatharajan, Balachandar (Cincinnati, OH); Kraemer, Gilbert Otto (Greer, SC); ElKady, Ahmed Mostafa (Niskayuna, NY); Lacy, Benjamin Paul (Greer, SC)

    2012-05-15

    The low emission combustor includes a combustor housing defining a combustion chamber having a plurality of combustion zones. A liner sleeve is disposed in the combustion housing with a gap formed between the liner sleeve and the combustor housing. A secondary nozzle is disposed along a centerline of the combustion chamber and configured to inject a first fluid comprising air, at least one diluent, fuel, or combinations thereof to a downstream side of a first combustion zone among the plurality of combustion zones. A plurality of primary fuel nozzles is disposed proximate to an upstream side of the combustion chamber and located around the secondary nozzle and configured to inject a second fluid comprising air and fuel to an upstream side of the first combustion zone. The combustor also includes a plurality of tertiary coanda nozzles. Each tertiary coanda nozzle is coupled to a respective dilution hole. The tertiary coanda nozzles are configured to inject a third fluid comprising air, at least one other diluent, fuel, or combinations thereof to one or more remaining combustion zones among the plurality of combustion zones.

  5. MINER{nu}A Test Beam Commissioning

    SciTech Connect (OSTI)

    Higuera, A.; Castorena, J.; Urrutia, Z.; Felix, J.; Zavala, G.

    2009-12-17

    MINER{nu}A Main INjector ExpeRiment {nu}-A is a high-statistic neutrino scattering experiment that will ran in the NuMI Beam Hall at Fermilab. To calibrate the energy response of the MINER{nu}A detector, a beamline is being designed for the MINER{nu}A Test Beam Detector (TBD). The TBD is a replica of the full MINER{nu}A detector at small scale for calibration studies of the main detector. The beamline design consists of the following parts: a copper target, used to generate tertiaries from an incoming secondary beam; a steel collimator for tertiaries, which also serves as a dump for the incoming beam; a time of fight system (scintillator planes); four wire chambers, for angle measurements and tracking; and two dipole magnets, used as an spectrometer. During last October, the first commissioning run of the MINER{nu}A Test Beam took place in the Meson Test Beam Facility at Fermilab. We commissioned the target and collimator of the new tertiary beamline.

  6. Geophysical interpretations west of and within the northwestern part of the Nevada Test Site

    SciTech Connect (OSTI)

    Grauch, V.J.; Sawyer, D.A.; Fridrich, C.J.; Hudson, M.R.

    1997-12-31

    This report focuses on interpretation of gravity and new magnetic data west of the Nevada Test Site (NTS) and within the northwestern part of NTS. The interpretations integrate the gravity and magnetic data with other geophysical, geological, and rock property data to put constraints on tectonic and magmatic features not exposed at the surface. West of NTS, where drill hole information is absent, these geophysical data provide the best available information on the subsurface. Interpreted subsurface features include calderas, intrusions, basalt flows and volcanoes, Tertiary basins, structurally high pre-Tertiary rocks, and fault zones. New features revealed by this study include (1) a north-south buried tectonic fault east of Oasis Mountain, which the authors call the Hogback fault; (2) an east striking fault or accommodation zone along the south side of Oasis Valley basin, which they call the Hot Springs fault; (3) a NNE striking structural zone coinciding with the western margins of the caldera complexes; (4) regional magnetic highs that probably represent a thick sequence of Tertiary volcanic rocks; and (5) two probable buried calderas that may be related to the tuffs of Tolicha Peak and of Sleeping Butte, respectively.

  7. The role of Cretaceous seal to the hydrocarbon potential of the Salawati and Bintuni basins, Irian Jaya, Indonesia

    SciTech Connect (OSTI)

    Samuel, L.; Kartanegara, L. )

    1991-03-01

    The Salawati and Bintuni basins are late Tertiary depocenters located in the westernmost part of Irian Jaya, Indonesia. The two basins are closely located and only separated by a 50-km-wide structural high known as the Ajamaru Plateau. Petroleum exploration results in the Salawati basin are very successful. This basin has produced around 300 Mbbl of oil from the Miocene carbonates of the Kais Formation. Exploration with similar objectives in the Bintuni basin, however, gave only little success. Some oil was obtained from small Wasian and Mogoi fields, which jointly produced around 7 Mbbl of oil between 1951 and 1960. Extensive exploration campaigns between 1970 and 1980 with Miocene Kais Limestone as the objective resulted only in the discovery of the small Wiriagar field. The big difference in petroleum potentially of the Salawati and Bintuni basins has attracted explorationists to evaluate what significant geological factors had influenced it. Evaluation on available exploration data of the basins had some interesting results. In terms of geologic factors controlling hydrocarbon accumulation (presence of mature source rock, migration pathway, good reservoir quality, valid trap, and effective seal), it seems that shales of Cretaceous age have played the most important role. If this regional seal is absent or noneffective, oil could migrate vertically from pre-Tertiary sources to the Tertiary reservoirs. On the contrary, if the Cretaceous shales are present and sealing, then the underlying Mesozoic sequence is attractive and may trap hydrocarbon, if supported by the other geologic factors.

  8. Folding associated with extensional faulting: Sheep Range detachment, southern Nevada

    SciTech Connect (OSTI)

    Guth, P.L.

    1985-01-01

    The Sheep Range detachment is a major Miocene extensional fault system of the Great Basin. Its major faults have a scoop shape, with straight, N-S traces extending 15-30 km and then abruptly turning to strike E-W. Tertiary deformation involved simultaneous normal faulting, sedimentation, landsliding, and strike-slip faulting. Folds occur in two settings: landslide blocks and drag along major faults. Folds occur in landslide blocks and beneath them. Most folds within landslide blocks are tight anticlines, with limbs dipping 40-60 degrees. Brecciation of the folds and landslide blocks suggests brittle deformation. Near Quijinump Canyon in the Sheep Range, at least three landslide blocks (up to 500 by 1500 m) slid into a small Tertiary basin. Tertiary limestone beneath the Paleozoic blocks was isoclinally folded. Westward dips reveal drag folds along major normal faults, as regional dips are consistently to the east. The Chowderhead anticline is the largest drag fold, along an extensional fault that offsets Ordovician units 8 km. East-dipping Ordovician and Silurian rocks in the Desert Range form the hanging wall. East-dipping Cambrian and Ordovician units in the East Desert Range form the foot wall and east limb of the anticline. Caught along the fault plane, the anticline's west-dipping west limb contains mostly Cambrian units.

  9. Alvord (3000-ft Strawn) LPG flood: design and performance evaluation

    SciTech Connect (OSTI)

    Frazier, G.D.; Todd, M.R.

    1982-01-01

    Mitchell Energy Corporation has implemented a LPG-dry gas miscible process in the Alvord (3000 ft Strawn) Unit in Wise County, Texas utilizing the DOE tertiary incentive program. The field had been waterflooded for 14 years and was producing near its economic limit at the time this project was started. This paper presents the results of the reservoir simulation study that was conducted to evaluate pattern configuration and operating alternatives so as to maximize LPG containment and oil recovery performance. Several recommendations resulting from this study were implemented for the project. Based on the model prediction, tertiary oil recovery is expected to be between 100,000 and 130,000 bbls, or about 7 percent of th oil originally in place in the Unit. An evaluation of the project performance to date is presented. In July of 1981 the injection of a 16% HPV slug of propane was completed. Natural gas is being used to drive the propane slug. A peak oil response of 222 BOPD was achieved in August of 1981 and production has since been declining. The observed performance of the flood indicates that the actual tertiary oil recovered will reach the predicted value, although the project life will be longer than expected. The results presented in this paper indicate that, without the DOE incentive program, the economics for this project would still be uncertain at this time.

  10. Process for stabilization of coal liquid fractions

    DOE Patents [OSTI]

    Davies, Geoffrey; El-Toukhy, Ahmed

    1987-01-01

    Coal liquid fractions to be used as fuels are stabilized against gum formation and viscosity increases during storage, permitting the fuel to be burned as is, without further expensive treatments to remove gums or gum-forming materials. Stabilization is accomplished by addition of cyclohexanol or other simple inexpensive secondary and tertiary alcohols, secondary and tertiary amines, and ketones to such coal liquids at levels of 5-25% by weight with respect to the coal liquid being treated. Cyclohexanol is a particularly effective and cost-efficient stabilizer. Other stabilizers are isopropanol, diphenylmethanol, tertiary butanol, dipropylamine, triethylamine, diphenylamine, ethylmethylketone, cyclohexanone, methylphenylketone, and benzophenone. Experimental data indicate that stabilization is achieved by breaking hydrogen bonds between phenols in the coal liquid, thereby preventing or retarding oxidative coupling. In addition, it has been found that coal liquid fractions stabilized according to the invention can be mixed with petroleum-derived liquid fuels to produce mixtures in which gum deposition is prevented or reduced relative to similar mixtures not containing stabilizer.

  11. Magnetotelluric Data, Northern Frenchman Flat, Nevada Test Site Nevada

    SciTech Connect (OSTI)

    J.M. Williams; B.D. Rodriguez, and T. H. Asch

    2005-11-23

    Nuclear weapons are integral to the defense of the United States. The U.S. Department of Energy, as the steward of these devices, must continue to gauge the efficacy of the individual weapons. This could be accomplished by occasional testing at the Nevada Test Site (NTS) in Nevada, northwest of Las Vegas. Yucca Flat Basin is one of the testing areas at the NTS. One issue of concern is the nature of the somewhat poorly constrained pre-Tertiary geology and its effects on ground-water flow in the area subsequent to a nuclear test. Ground-water modelers would like to know more about the hydrostratigraphy and geologic structure to support a hydrostratigraphic framework model that is under development for the Yucca Flat Corrective Action Unit (CAU). During 2003, the U.S. Geological Survey (USGS) collected and processed Magnetotelluric (MT) and Audio-magnetotelluric (AMT) data at the Nevada Test Site in and near Yucca Flat to help characterize this pre-Tertiary geology. That work will help to define the character, thickness, and lateral extent of pre-Tertiary confining units. In particular, a major goal has been to define the upper clastic confining unit (UCCU) in the Yucca Flat area. Interpretation will include a three-dimensional (3-D) character analysis and two-dimensional (2-D) resistivity model. The purpose of this report is to release the MT sounding data for Frenchman Flat Profile 3, as shown in Figure 1. No interpretation of the data is included here.

  12. Communication: Spectroscopic characterization of an alkyl substituted Criegee intermediate syn-CH{sub 3}CHOO through pure rotational transitions

    SciTech Connect (OSTI)

    Nakajima, Masakazu; Endo, Yasuki

    2014-01-07

    An alkyl-substituted Criegee intermediate syn-CH{sub 3}CHOO was detected in the gas phase through Fourier-transform microwave spectroscopy. Observed pure rotational transitions show a small splitting corresponding to the A/E components due to the threefold methyl internal rotation. The rotational constants and the barrier height of the hindered methyl rotation were determined to be A = 17?586.5295(15) MHz, B = 7133.4799(41) MHz, C = 5229.1704(40) MHz, and V{sub 3} = 837.1(17)cm{sup ?1}. High-level ab initio calculations which reproduce the experimentally determined values well indicate that the in-plane CH bond in the methyl moiety is trans to the CO bond, and other two protons are directed to the terminal oxygen atom for the most stable structure of syn-CH{sub 3}CHOO. The torsional barrier of the methyl top is fairly large in syn-CH{sub 3}CHOO, implying a significant interaction between the terminal oxygen and the protons of the methyl moiety, which may be responsible for the high production yields of the OH radical from energized alkyl-substituted Criegee intermediates.

  13. A roadmap to uranium ionic liquids: Anti-crystal engineering

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yaprak, Damla; Spielberg, Eike T.; Bäcker, Tobias; Richter, Mark; Mallick, Bert; Klein, Axel; Mudring, Anja -Verena

    2014-04-15

    In the search for uranium-based ionic liquids, tris(N,N-dialkyldithiocarbamato)uranylates have been synthesized as salts of the 1-butyl-3-methylimidazolium (C4mim) cation. As dithiocarbamate ligands binding to the UO22+ unit, tetra-, penta-, hexa-, and heptamethylenedithiocarbamates, N,N-diethyldithiocarbamate, N-methyl-N-propyldithiocarbamate, N-ethyl-N-propyldithiocarbamate, and N-methyl-N-butyldithiocarbamate have been explored. X-ray single-crystal diffraction allowed unambiguous structural characterization of all compounds except N-methyl-N-butyldithiocarbamate, which is obtained as a glassy material only. In addition, powder X-ray diffraction as well as vibrational and UV/Vis spectroscopy, supported by computational methods, were used to characterize the products. Differential scanning calorimetry was employed to investigate the phase-transition behavior depending on the N,N-dialkyldithiocarbamato ligand with the aim tomore » establish structure–property relationships regarding the ionic liquid formation capability. Compounds with the least symmetric N,N-dialkyldithiocarbamato ligand and hence the least symmetric anions, tris(N-methyl-N-propyldithiocarbamato)uranylate, tris(N-ethyl-N-propyldithiocarbamato)uranylate, and tris(N-methyl-N-butyldithiocarbamato)uranylate, lead to the formation of (room-temperature) ionic liquids, which confirms that low-symmetry ions are indeed suitable to suppress crystallization. As a result, these materials combine low melting points, stable complex formation, and hydrophobicity and are therefore excellent candidates for nuclear fuel purification and recovery.« less

  14. Modeling the Auto-Ignition of Biodiesel Blends with a Multi-Step Model

    SciTech Connect (OSTI)

    Toulson, Dr. Elisa; Allen, Casey M; Miller, Dennis J; McFarlane, Joanna; Schock, Harold; Lee, Tonghun

    2011-01-01

    There is growing interest in using biodiesel in place of or in blends with petrodiesel in diesel engines; however, biodiesel oxidation chemistry is complicated to directly model and existing surrogate kinetic models are very large, making them computationally expensive. The present study describes a method for predicting the ignition behavior of blends of n-heptane and methyl butanoate, fuels whose blends have been used in the past as a surrogate for biodiesel. The autoignition is predicted using a multistep (8-step) model in order to reduce computational time and make this a viable tool for implementation into engine simulation codes. A detailed reaction mechanism for n-heptane-methyl butanoate blends was used as a basis for validating the multistep model results. The ignition delay trends predicted by the multistep model for the n-heptane-methyl butanoate blends matched well with that of the detailed CHEMKIN model for the majority of conditions tested.

  15. Recent Advances in Detailed Chemical Kinetic Models for Large Hydrocarbon and Biodiesel Transportation Fuels

    SciTech Connect (OSTI)

    Westbrook, C K; Pitz, W J; Curran, H J; Herbinet, O; Mehl, M

    2009-03-30

    n-Hexadecane and 2,2,4,4,6,8,8-heptamethylnonane represent the primary reference fuels for diesel that are used to determine cetane number, a measure of the ignition property of diesel fuel. With the development of chemical kinetics models for these two primary reference fuels for diesel, a new capability is now available to model diesel fuel ignition. Also, we have developed chemical kinetic models for a whole series of large n-alkanes and a large iso-alkane to represent these chemical classes in fuel surrogates for conventional and future fuels. Methyl decanoate and methyl stearate are large methyl esters that are closely related to biodiesel fuels, and kinetic models for these molecules have also been developed. These chemical kinetic models are used to predict the effect of the fuel molecule size and structure on ignition characteristics under conditions found in internal combustion engines.

  16. A review of chromatographic characterization techniques for biodiesel and biodiesel blends.

    SciTech Connect (OSTI)

    Pauls, R. E.

    2011-05-01

    This review surveys chromatographic technology that has been applied to the characterization of biodiesel and its blends. Typically, biodiesel consists of fatty acid methyl esters produced by transesterification of plant or animal derived triacylglycerols. Primary attention is given to the determination of trace impurities in biodiesel, such as methanol, glycerol, mono-, di-, and triacylglycerols, and sterol glucosides. The determination of the fatty acid methyl esters, trace impurities in biodiesel, and the determination of the biodiesel content of commercial blends of biodiesel in conventional diesel are also addressed.

  17. Cyclotron Road: Visolis

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Deepak Dugar, Co-founder, Visolis 2 MIT (MS, MBA, PhD, Chemical Engg.) IIT Delhi (B.Tech, M.Tech, Biochemcial Engg.) Master's thesis: Algal photo-bioreactor design PhD thesis: High octane biofuels (Prof. Greg Stephanopoulos) Gourav Enterprises 3 Visolis is a platform technology for cost competitive production of bio- products Fuel Additives &Structural Materials $100B+ Specialty Chemicals & Polymers $20B Isoprene $ 3B  Drop-in products: Methyl isopropyl ketone (MIPK), Methyl vinyl

  18. A laser and molecular beam mass spectrometer study of low-pressure dimethyl ether flames

    SciTech Connect (OSTI)

    Andrew McIlroy; Toby D. Hain; Hope A. Michelsen; Terrill A. Cool

    2000-12-15

    The oxidation of dimethyl ether (DME) is studied in low-pressure flames using new molecular beam mass spectrometer and laser diagnostics. Two 30.0-Torr, premixed DME/oxygen/argon flames are investigated with stoichiometries of 0.98 and 1.20. The height above burner profiles of nine stable species and two radicals are measured. These results are compared to the detailed chemical reaction mechanism of Curran and coworkers. Generally good agreement is found between the model and data. The largest discrepancies are found for the methyl radical profiles where the model predicts qualitatively different trends in the methyl concentration with stoichiometry than observed in the experiment.

  19. Microsoft Word - LBNL 53866_SPME-MTBE_Final_112103.doc

    Office of Scientific and Technical Information (OSTI)

    Determination of Methyl tert-Butyl Ether and tert-Butyl Alcohol in Water by Solid-Phase Microextraction/Head Space Analysis in Comparison to EPA Method 5030/8260B Keun-Chan Oh & William T. Stringfellow* Center for Environmental Biotechnology Lawrence Berkeley National Laboratory 1 Cyclotron Rd., MS70A-3317 Berkeley, CA 94720 September 9, 2003 *Corresponding author, phone: (510) 486-7093, fax: (510) 486-7152 email: wstringfellow@lbl.gov Oh & Stringfellow Page 2 of 28 Abstract Methyl

  20. Apparatus and method for production of methanethiol

    DOE Patents [OSTI]

    Agarwal, Pradeep K.; Linjewile, Temi M.; Hull, Ashley S.; Chen, Zumao

    2006-02-07

    A method for the production of methyl mercaptan is provided. The method comprises providing raw feed gases consisting of methane and hydrogen sulfide, introducing the raw feed gases into a non-thermal pulsed plasma corona reactor, and reacting the raw feed gases within the non-thermal pulsed plasma corona reactor with the reaction CH4+H2S.fwdarw.CH3SH+H2. An apparatus for the production of methyl mercaptan using a non-thermal pulsed plasma corona reactor is also provided.

  1. A Stable Fluorinated and Alkylated Lithium Malonatoborate Salt for Lithium Ion Battery Application

    SciTech Connect (OSTI)

    Dai, Sheng; Sun, Xiao-Guang

    2015-01-01

    A new fluorinated and alkylated lithium malonatoborate salt, lithium bis(2-methyl-2-fluoromalonato)borate (LiBMFMB), has been synthesized for lithium ion battery application. A 0.8 M LiBMFMB solution is obtained in a mixture of ethylene carbonate (EC) and ethyl methyl carbonate (EMC) (1:2 by wt.). The new LiBMFMB based electrolyte exhibits good cycling stability and rate capability in LiNi0.5Mn1.5O4 and graphite based half-cells.

  2. Global identification of genes regulated by estrogen signaling and demethylation in MCF-7 breast cancer cells

    SciTech Connect (OSTI)

    Putnik, Milica; Zhao, Chunyan; Gustafsson, Jan-Ake; Department of Biology and Biochemistry, Science and Engineering Research Center Bldg, University of Houston, Houston, TX 77204-5056 ; Dahlman-Wright, Karin

    2012-09-14

    Highlights: Black-Right-Pointing-Pointer Estrogen signaling and demethylation can both control gene expression in breast cancers. Black-Right-Pointing-Pointer Cross-talk between these mechanisms is investigated in human MCF-7 breast cancer cells. Black-Right-Pointing-Pointer 137 genes are influenced by both 17{beta}-estradiol and demethylating agent 5-aza-2 Prime -deoxycytidine. Black-Right-Pointing-Pointer A set of genes is identified as targets of both estrogen signaling and demethylation. Black-Right-Pointing-Pointer There is no direct molecular interplay of mediators of estrogen and epigenetic signaling. -- Abstract: Estrogen signaling and epigenetic modifications, in particular DNA methylation, are involved in regulation of gene expression in breast cancers. Here we investigated a potential regulatory cross-talk between these two pathways by identifying their common target genes and exploring underlying molecular mechanisms in human MCF-7 breast cancer cells. Gene expression profiling revealed that the expression of approximately 140 genes was influenced by both 17{beta}-estradiol (E2) and a demethylating agent 5-aza-2 Prime -deoxycytidine (DAC). Gene ontology (GO) analysis suggests that these genes are involved in intracellular signaling cascades, regulation of cell proliferation and apoptosis. Based on previously reported association with breast cancer, estrogen signaling and/or DNA methylation, CpG island prediction and GO analysis, we selected six genes (BTG3, FHL2, PMAIP1, BTG2, CDKN1A and TGFB2) for further analysis. Tamoxifen reverses the effect of E2 on the expression of all selected genes, suggesting that they are direct targets of estrogen receptor. Furthermore, DAC treatment reactivates the expression of all selected genes in a dose-dependent manner. Promoter CpG island methylation status analysis revealed that only the promoters of BTG3 and FHL2 genes are methylated, with DAC inducing demethylation, suggesting DNA methylation directs repression of these genes in MCF-7 cells. In a further analysis of the potential interplay between estrogen signaling and DNA methylation, E2 treatment showed no effect on the methylation status of these promoters. Additionally, we show that the ER{alpha} recruitment occurs at the FHL2 promoter in an E2- and DAC-independent fashion. In conclusion, we identified a set of genes regulated by both estrogen signaling and DNA methylation. However, our data does not support a direct molecular interplay of mediators of estrogen and epigenetic signaling at promoters of regulated genes.

  3. Mesozoic and Cenozoic structural geology of the CP Hills, Nevada Test Site, Nye County, Nevada; and regional implications

    SciTech Connect (OSTI)

    Caskey, S.J.

    1991-08-01

    Detailed mapping and structural analysis of upper Proterozoic and Paleozoic rocks in the CP Hills of the Nevada Test Site, together with analysis of published maps and cross sections and a reconnaissance of regional structural relations indicate that the CP thrust of Barnes and Poole (1968) actually comprises two separate, oppositely verging Mesozoic thrust systems: (1) the west-vergent CP thrust which is well exposed in the CP Hills and at Mine Mountain, and (2) the east-vergent Belted Range thrust located northwest of Yucca Flat. West-vergence of the CP thrust is indicated by large scale west-vergent recumbent folds in both its hangingwall and footwall and by the fact that the CP thrust ramps up section through hangingwall strata toward the northwest. Regional structural relations indicate that the CP thrust forms part of a narrow sigmoidal belt of west-vergent folding and thrusting traceable for over 180 km along strike. The Belted Range thrust represents earlier Mesozoic deformation that was probably related to the Last Chance thrust system in southeastern California, as suggested by earlier workers. A pre-Tertiary reconstruction of the Cordilleran fold and thrust belt in the region between the NTS and the Las Vegas Range bears a close resemblance to other regions of the Cordillera and has important implications for the development of hinterland-vergent deformation as well as for the probable magnitude of Tertiary extension north of Las Vegas Valley. Subsequent to Mesozoic deformation, the CP Hills were disrupted by at least two episodes of Tertiary extensional deformation: (1) an earlier episode represented by pre-middle Miocene low-angle normal faults, and (2) a later, post-11 Ma episode of high-angle normal faulting. Both episodes of extension were related to regional deformation, the latter of which has resulted in the present basin and range topography of the NTS region.

  4. Completion Report for Well ER-12-3 Corrective Action Unit 99: Rainier Mesa - Shoshone Mountain

    SciTech Connect (OSTI)

    U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; Bechtel Nevada Corporation

    2006-05-01

    Well ER-12-3 was drilled for the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office, in support of the Nevada Environmental Restoration Project at the Nevada Test Site, Nye County, Nevada. The well was drilled in March and April 2005 as part of a hydrogeologic investigation program for the Rainier Mesa-Shoshone Mountain Corrective Action Unit. The overall purpose of the well was to gather subsurface data to better characterize the hydrogeology of central Rainier Mesa, especially in the older Tertiary volcanic rocks and Paleozoic sedimentary rocks. The main 47.0-centimeter hole was drilled to a depth of 799.2 meters and cased with 33.97-centimeter casing to 743.1 meters. The hole diameter was then decreased to 31.1 centimeters, and the well was drilled to a total depth of 1,496.0 meters. The completion string consisted of 13.97-centimeter stainless steel casing, with two slotted intervals open to the lower carbonate aquifer, suspended from 19.37-centimeter carbon steel casing. A piezometer string was installed outside the 33.97-centimeter casing to a depth of 467.1 meters to monitor a zone of perched water within the Tertiary volcanic section. Data gathered during and shortly after hole construction include composite drill cuttings samples collected every 3 meters (extra cuttings samples were collected from the Paleozoic rocks for paleontological analyses), sidewall core samples from 35 depths, various geophysical logs, and water level measurements. These data indicate that the well penetrated 674.2 meters of Tertiary volcanic rocks and 821.7 meters of Paleozoic dolomite and limestone. Forty-nine days after the well was completed, but prior to well development and testing, the water level inside the main hole was tagged at the depth of 949.1 meters, and the water level inside the piezometer string was tagged at 379.9 meters.

  5. Geochemistry and habitat of the oils in Italy

    SciTech Connect (OSTI)

    Mattavelli, L.; Novelli, L. )

    1990-10-01

    All varieties of liquid petroleum, ranging from condensates (> 50{degree}API) to immature sulfur-rich heavy oils (as low as 5{degree} API), have been found in Italy. However, nonbiodegraded heavy oils account for about 70% of the total original oil in place. Geochemical analyses indicate that 11 oil groups are present in the Italian basins and two main types of source rocks have been identified: Triassic carbonates and Tertiary shales. About 95% of the oils were originated from Middle and Upper Triassic carbonates containing type II kerogen (about 1% total organic carbon (TOC) and 500 mg hydrocarbon/g TOC). Only a relatively minor amount of oil was generated by Tertiary shales containing type III kerogen with TOC generally less than 1%. Timing of generation and migration and bulk properties of oils were controlled by geodynamic histories of the three main Italian geologic settings: (1) Apennine and Southern Alp thrust belts, (2) foredeep (depression bordering the thrust belts), and (3) foreland (nondeformed African continental margin). Within the Apennine thrust belts, deep burial during the Neogene resulted in the generation of substantially lighter oils, not only from deeply buried Triassic but sometimes also from Tertiary source rocks. In the late Neogene, foredeep depocenters located in the central Adriatic and southern Sicily, high subsidence (up to 1,000 m/m.y.), a low geothermal gradient (22C/km) and compressional tectonics caused the generation of immature heavy oils generally at depths below 5,000 m and temperatures greater than 100C. Rapid burial and higher geothermal gradients (32C/km), which occurred since the Jurassic, resulted in the generation of light oils from the Late Cretaceous to the Oligocene in the southern sector of Adriatic foreland.

  6. Buildings Energy Data Book: 8.1 Buildings Sector Water Consumption

    Buildings Energy Data Book [EERE]

    3 Energy Use of Wastewater Treatment Plants by Capacity and Treatment Level (kWh per Million Gallons) 1 - 5 - 10 - 20 - 50 - 100 - Note(s): Source(s): 673 1,028 1,188 1,558 The level of treatment indicates the amount of processing involved before water is released from the treatment facility. Primary treatment removes solids and oils from wastewater. Secondary treatment uses biological processes to remove organic material from the water. Tertiary treatment includes additional processes to

  7. A Hydrostratigraphic Model and Alternatives for the Groundwater Flow and Contaminant Transport Model of Corrective Action Unit 97: Yucca Flat-Climax Mine, Lincoln and Nye Counties, Nevada

    SciTech Connect (OSTI)

    Geotechnical Sciences Group Bechtel Nevada

    2006-01-01

    A new three-dimensional hydrostratigraphic framework model for the Yucca Flat-Climax Mine Corrective Action Unit was completed in 2005. The model area includes Yucca Flat and Climax Mine, former nuclear testing areas at the Nevada Test Site, and proximal areas. The model area is approximately 1,250 square kilometers in size and is geologically complex. Yucca Flat is a topographically closed basin typical of many valleys in the Basin and Range province. Faulted and tilted blocks of Tertiary-age volcanic rocks and underlying Proterozoic and Paleozoic sedimentary rocks form low ranges around the structural basin. During the Cretaceous Period a granitic intrusive was emplaced at the north end of Yucca Flat. A diverse set of geological and geophysical data collected over the past 50 years was used to develop a structural model and hydrostratigraphic system for the basin. These were integrated using EarthVision? software to develop the 3-dimensional hydrostratigraphic framework model. Fifty-six stratigraphic units in the model area were grouped into 25 hydrostratigraphic units based on each unit's propensity toward aquifer or aquitard characteristics. The authors organized the alluvial section into 3 hydrostratigraphic units including 2 aquifers and 1 confining unit. The volcanic units in the model area are organized into 13 hydrostratigraphic units that include 8 aquifers and 5 confining units. The underlying pre-Tertiary rocks are divided into 7 hydrostratigraphic units, including 3 aquifers and 4 confining units. Other units include 1 Tertiary-age sedimentary confining unit and 1 Mesozoic-age granitic confining unit. The model depicts the thickness, extent, and geometric relationships of these hydrostratigraphic units (''layers'' in the model) along with the major structural features (i.e., faults). The model incorporates 178 high-angle normal faults of Tertiary age and 2 low-angle thrust faults of Mesozoic age. The complexity of the model area and the non-uniqueness of some of the interpretations incorporated into the base model made it necessary to formulate alternative interpretations for some of the major features in the model. Five of these alternatives were developed so they could be modeled in the same fashion as the base model. This work was done for the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office in support of the Underground Test Area subproject of the Environmental Restoration Project.

  8. Calcium-tolerant N-substituted acrylamides as thickeners for aqueous systems

    DOE Patents [OSTI]

    McCormick, Charles L.; Blackmon, Kenneth P.

    1986-01-01

    A water-soluble ionically-charged random copolymer of acrylamide and an alkaline or alkali metal 3-acrylamido-3-methylbutanoate having an average molecular weight of greater than about 50,000 has been found to maintain unusually stable and effective viscosities in the presence of salts such as NaCl and CaCl.sub.2 when added to water in minor amounts, thus making it a highly effective mobility control agent for secondary and tertiary oil recovery methods. Also within the scope of the invention are terpolymers which additionally contain olefinically unsaturated monomers such as acrylic acid or sodium acrylate.

  9. Selective removal of carbonyl sulfide from a hydrogen sulfide containing gas mixture

    SciTech Connect (OSTI)

    Souby, M.C.

    1990-12-25

    This patent describes a process for the selective removal of carbonyl sulfide from a gas mixture also comprising hydrogen sulfide. It comprises contacting the gas mixture with an absorbent comprising from about 35% w to about 55% w of a tertiary amine; from about 5% w to about 15% w of water, and the balance being a physical co-solvent; regenerating the loaded absorbent to remove substantially all of the carbonyl sulfide and most of the hydrogen sulfide to provide a lean absorbent containing hydrogen sulfide in an amount of 0.2% w to 2% w; and recycling the lean absorbent to the contacting step.

  10. Biparticle fluidized bed reactor

    DOE Patents [OSTI]

    Scott, Charles D. (Oak Ridge, TN); Marasco, Joseph A. (Kingston, TN)

    1996-01-01

    A fluidized bed reactor system which utilizes a fluid phase, a retained fluidized primary particulate phase, and a migratory second particulate phase. The primary particulate phase is a particle such as a gel bead containing an immobilized biocatalyst. The secondary and tertiary particulate phases, continuously introduced and removed simultaneously in the cocurrent and countercurrent mode, act in a role such as a sorbent to continuously remove a product or by-product constituent from the fluid phase. Means for introducing and removing the sorbent phases include feed screw mechanisms and multivane slurry valves.

  11. Petroleum Supply Monthly

    U.S. Energy Information Administration (EIA) Indexed Site

    June 2015 Alcohol. The family name of a group of organic chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group; CH3-(CH2)n-OH (e.g., methanol, ethanol, and tertiary butyl alcohol). Alkylate. The product of an alkylation reaction. It usually refers to the high octane product from alkylation units. This alkylate is used in blending high octane gasoline. Alkylation. A refning process for

  12. Deetherification process

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1985-11-05

    Ethers such as isobutyl tertiary butyl ether are dissociated into their component alcohols and isoolefins by heat stabilized catalyst compositions prepared from nuclear sulfonic acid, for example, macroporous crosslinked polyvinyl aromatic compounds containing sulfonic acid groups are neutralized with a metal of Al, Fe, Zn, Cu, Ni, ions or mixtures and alkali, alkaline earth metals or ammonium ions by contacting the resin containing the sulfonic acid with aqueous solutions of the metals salts and alkali, alkaline earth metal or ammonium salts. The catalysts have at least 50% of the sulfonic acid groups neutralized with metal ions and the balance of the sulfonic acid groups neutralized with alkali, alkaline earth ions or ammonium ions.

  13. Photochemical dimerization and functionalization of alkanes, ethers, primary and secondary alcohols, phosphine oxides and silanes

    DOE Patents [OSTI]

    Crabtree, Robert H. (Bethany, CT); Brown, Stephen H. (East Haven, CT)

    1989-01-01

    The space-time yield and/or the selectivity of the photochemical dimerization of alkanes, ethers, primary and secondary alcohols, phosphine oxides and primary, secondary and tertiary silanes with Hg and U.V. light is enhanced by refluxing the substrate in the irradiated reaction zone at a temperature at which the dimer product condenses and remains condensed promptly upon its formation. Cross-dimerization of the alkanes, ethers and silanes with primary alcohols is disclosed, as is the functionalization to aldehydes of the alkanes with carbon monoxide.

  14. Improved wastewater treatment at Wheeling-Pittsburgh Steel Corporations`s Steubenville East Coke Plant

    SciTech Connect (OSTI)

    Goshe, A.J.; Nodianos, M.J.

    1995-12-01

    Wheeling-Pittsburgh Steel Corporation recently improved its wastewater treatment at it`s by-products coke plant. This has led to greatly improved effluent quality. Excess ammonia liquor, along with wastewater from the light oil recovery plant, desulfurization facility, and coal pile runoff, must be treated prior to being discharged into the Ohio River. This is accomplished using a biological wastewater treatment plant to remove 99.99% of the organic contaminants and ammonia. Biologically treated, clarified wastewater is now polished in the newly constructed tertiary treatment plant.

  15. Approaches for regeneration of amine-carboxylic acid extracts

    SciTech Connect (OSTI)

    Dai, Y.; King, C.J.

    1995-07-01

    Extraction processes based on reversible chemical complexation can be useful for separation of polar organics from dilute solution. Tertiary amines are effective extractants for the recovery of carboxylic acids from aqueous solution. The regeneration of aminecarboxylic acid extracts is an important step which strongly influences the economic viability of the separation process. Several regeneration methods are critically reviewed, and the factors that affect swing regeneration processes, including temperature-swing, diluent composition-swing and pH-swing with a volatile base are discussed. Interest in this area comes from interest in treatment of waste streams, particularly in petrochemical and fermentation manufacture.

  16. Calcium-tolerant N-substituted acrylamides as thickeners for aqueous systems

    DOE Patents [OSTI]

    McCormick, C.L.; Blackmon, K.P.

    1986-04-22

    A water-soluble ionically-charged random copolymer of acrylamide and an alkaline or alkali metal 3-acrylamido-3-methylbutanoate having an average molecular weight of greater than about 50,000 has been found to maintain unusually stable and effective viscosities in the presence of salts such as NaCl and CaCl[sub 2] when added to water in minor amounts, thus making it a highly effective mobility control agent for secondary and tertiary oil recovery methods. Also within the scope of the invention are terpolymers which additionally contain olefinically unsaturated monomers such as acrylic acid or sodium acrylate.

  17. Wide field of view telescope

    DOE Patents [OSTI]

    Ackermann, Mark R.; McGraw, John T.; Zimmer, Peter C.

    2008-01-15

    A wide field of view telescope having two concave and two convex reflective surfaces, each with an aspheric surface contour, has a flat focal plane array. Each of the primary, secondary, tertiary, and quaternary reflective surfaces are rotationally symmetric about the optical axis. The combination of the reflective surfaces results in a wide field of view in the range of approximately 3.8.degree. to approximately 6.5.degree.. The length of the telescope along the optical axis is approximately equal to or less than the diameter of the largest of the reflective surfaces.

  18. Completion Report for Wells ER-20-8 and ER-20-8#2 Corrective Action Units 101 and 102: Central and Western Pahute Mesa

    SciTech Connect (OSTI)

    NSTec Environmental Management

    2011-02-28

    Wells ER-20-8 and ER-20-8#2 were drilled for the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office in support of the Nevada Environmental Restoration Project at the Nevada National Security Site (formerly Nevada Test Site), Nye County, Nevada. The holes were drilled in July and August 2009, as part of the Pahute Mesa Phase II drilling program. The primary purpose of these wells was to provide detailed hydrogeologic information in the Tertiary volcanic section that will help address uncertainties within the Pahute Mesa–Oasis Valley hydrostratigraphic framework model. They may also be used as long-term monitoring wells.

  19. Completion Report for Well ER-20-4 Corrective Action Units 101 and 102: Central and Western Pahute Mesa

    SciTech Connect (OSTI)

    NSTec Environmental Management

    2011-04-30

    Well ER-20-4 was drilled for the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office in support of the Nevada Environmental Restoration Project at the Nevada National Security Site, Nye County, Nevada. The well was drilled in August and September 2010 as part of the Pahute Mesa Phase II drilling program. The primary purpose of the well was to investigate the possibility of radionuclide transport from up-gradient underground nuclear tests conducted in central Pahute Mesa. This well also provided detailed hydrogeologic information in the Tertiary volcanic section that will help reduce uncertainties within the Pahute Mesa-Oasis Valley hydrostratigraphic framework model.

  20. Deetherification process

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A.

    1985-01-01

    Ethers such as isobutyl tertiary butyl ether are dissociated into their component alcohols and isolefins by heat stabilized catalyst compositions prepared from nuclear sulfonic acid, for example, macroporous crosslinked polyvinyl aromatic compounds containing sulfonic acid groups are neutralized with a metal of Al, Fe, Zn, Cu, Ni, ions or mixtures and alkali, alkaline earth metals or ammonium ions by contacting the resin containing the sulfonic acid with aqueous solutions of the metals salts and alkali, alkaline earth metal or ammonium salts. The catalysts have at least 50% of the sulfonic acid groups neutralized with metal ions and the balance of the sulfonic acid groups neutralized with alkali, alkaline earth ions or ammonium ions.

  1. Petroleum Supply Monthly

    U.S. Energy Information Administration (EIA) Indexed Site

    0 January 2016 Alcohol. The family name of a group of organic chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group; CH3-(CH2)n-OH (e.g., methanol, ethanol, and tertiary butyl alcohol). Alkylate. The product of an alkylation reaction. It usually refers to the high octane product from alkylation units. This alkylate is used in blending high octane gasoline. Alkylation. A refning process for

  2. Biparticle fluidized bed reactor

    DOE Patents [OSTI]

    Scott, C.D.; Marasco, J.A.

    1996-02-27

    A fluidized bed reactor system is described which utilizes a fluid phase, a retained fluidized primary particulate phase, and a migratory second particulate phase. The primary particulate phase is a particle such as a gel bead containing an immobilized biocatalyst. The secondary and tertiary particulate phases, continuously introduced and removed simultaneously in the cocurrent and countercurrent mode, act in a role such as a sorbent to continuously remove a product or by-product constituent from the fluid phase. Means for introducing and removing the sorbent phases include feed screw mechanisms and multivane slurry valves. 3 figs.

  3. Recirculation in multiple wave conversions

    SciTech Connect (OSTI)

    Kaufman, A. N.; Brizard, A.J.; Kaufman, A.N.; Tracy, E.R.

    2008-07-30

    A one-dimensional multiple wave-conversion model is constructed that allows energy recirculation in ray phase space. Using a modular eikonal approach, the connection coefficients for this model are calculated by ray phase-space methods. Analytical results (confirmed numerically) show that all connection coefficients exhibit interference effects that depend on an interference phase, calculated from the coupling constants and the area enclosed by the intersecting rays. This conceptual model, which focuses on the topology of intersecting rays in phase space, is used to investigate how mode conversion between primary and secondary waves is modified by the presence of a tertiary wave.

  4. Recovery of organic acids

    DOE Patents [OSTI]

    Verser, Dan W. (Menlo Park, CA); Eggeman, Timothy J. (Lakewood, CO)

    2011-11-01

    A method is disclosed for the recovery of an organic acid from a dilute salt solution in which the cation of the salt forms an insoluble carbonate salt. A tertiary amine and CO.sub.2 are introduced to the solution to form the insoluble carbonate salt and a complex between the acid and an amine. A water immiscible solvent, such as an alcohol, is added to extract the acid/amine complex from the dilute salt solution to a reaction phase. The reaction phase is continuously dried and a product between the acid and the solvent, such as an ester, is formed.

  5. FGD wastewater treatment still has a way to go

    SciTech Connect (OSTI)

    Higgins, T.; Givens, S.; Sandy, T.

    2008-01-15

    The power industry should jointly address questions about FGD water treatment and share the lessons it has learned so far. The article describes a scheme developed by CH2M Hill to treat FGD wastewater and remove heavy metals. The process desaturates the waste water of sulfates and removes the bulk of the insoluble suspended solids prior to tertiary treatment of heavy metals using a chemical/physical treatment process. Additional treatment could be provided (for example, anoxic biological treatment) for selenium, nitrates and organics. 2 figs.

  6. Method for providing a low density high strength polyurethane foam

    DOE Patents [OSTI]

    Whinnery, Jr., Leroy L.; Goods, Steven H.; Skala, Dawn M.; Henderson, Craig C.; Keifer, Patrick N.

    2013-06-18

    Disclosed is a method for making a polyurethane closed-cell foam material exhibiting a bulk density below 4 lbs/ft.sup.3 and high strength. The present embodiment uses the reaction product of a modified MDI and a sucrose/glycerine based polyether polyol resin wherein a small measured quantity of the polyol resin is "pre-reacted" with a larger quantity of the isocyanate in a defined ratio such that when the necessary remaining quantity of the polyol resin is added to the "pre-reacted" resin together with a tertiary amine catalyst and water as a blowing agent, the polymerization proceeds slowly enough to provide a stable foam body.

  7. Degradation problems with the solvent extraction organic at Roessing uranium

    SciTech Connect (OSTI)

    Munyungano, Brodrick; Feather, Angus; Virnig, Michael

    2008-07-01

    Roessing Uranium Ltd recovers uranium from a low-grade ore in Namibia. Uranium is recovered and purified from an ion-exchange eluate in a solvent-extraction plant. The solvent-extraction plant uses Alamine 336 as the extractant for uranium, with isodecanol used as a phase modifier in Sasol SSX 210, an aliphatic hydrocarbon diluent. Since the plant started in the mid 1970's, there have been a few episodes where the tertiary amine has been quickly and severely degraded when the plant was operated outside certain operating parameters. The Rossing experience is discussed in more detail in this paper. (authors)

  8. Plasmonic light yield enhancement of a liquid scintillator

    SciTech Connect (OSTI)

    Bignell, Lindsey J.; Jackson, Timothy W.; Mume, Eskender; Center of Excellence in Anti-matter Matter Studies, Research School of Physics and Engineering, The Australian National University, Canberra ; Lee, George P.

    2013-05-27

    We demonstrate modifications to the light yield properties of an organic liquid scintillator due to the localization of the tertiary fluorophore component to the surface of Ag-core silica-shell nanoparticles. We attribute this enhancement to the near-field interaction of Ag nanoparticle plasmons with these fluor molecules. The scintillation light yield enhancement is shown to be equal to the fluorescence enhancement within measurement uncertainties. With a suitable choice of plasmon energy and scintillation fluor, this effect may be used to engineer scintillators with enhanced light yields for radiation detection applications.

  9. Polyfunctional catalyst for processiing benzene fractions

    SciTech Connect (OSTI)

    G. Byakov; B.D. Zubitskii; B.G. Tryasunov; I.Ya. Petrov

    2009-05-15

    A by-product of the coke industry is a raw benzene fraction benzene- 1 which may serve as for catalytic processes. The paper reports a study on the influence of the composition and temperatures on the activity and selectivity of NiO-V{sub 2}O{sub 6}-MoO{sub 3}/{gamma}-Al{sub 2}O{sub 3} catalysts and the corresponding binary and tertiary subsystems are studied by a pulse method in model reactions; the hydrodealkylating of toluene and the hydrodesulfurizing of thioprhene. The optimal catalyst composition is established. The new catalyst is compared with industrial catalysts.

  10. Microsoft Word - Trident__Management_synopsis.docx

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Trident Management Trident is a multi-purpose HEDP laser facility serving multiple programs. It is operated by the Trident Team, a part of Group P-24 Plasma Physics. Mission: The mission of Trident is primarily to support Defense Programs (DP), especially at LANL. Secondary missions include the support of other LANL DOE initiatives and programs, such as LDRD, the HEDLP Joint NNSA/Office of Science Program, MaRIE and HILL. Tertiary missions include support of Work for Others (non-DOE) programs,

  11. $100 billion mistake: is the windfall revenue estimate too high

    SciTech Connect (OSTI)

    Samuelson, R.J.

    1980-04-26

    An economic analysis of the Windfall Profits Tax (as proposed at the time) suggests that the estimate of a $227 billion revenue over the next decade may be as much as $100 billion too high. This judgment is based on provisions in the law allowing states to deduct severance taxes up to 15 percent on oil before federal taxes are paid and offering tax incentives for tertiary projects. The arithmetic, particularly in the case of enhanced oil recovery, illustrates how the incentives could shift more production from a 70% to a 30% tax rate than the Federal government had estimated. (DCK)

  12. Mechanisms Governing the Creep Behavior of High Temperature Alloys for Generation IV Nuclear Energy Systems

    SciTech Connect (OSTI)

    Vasudevan, Vijay; Carroll, Laura; Sham, Sam

    2015-04-06

    This research project, which includes collaborators from INL and ORNL, focuses on the study of alloy 617 and alloy 800H that are candidates for applications as intermediate heat exchangers in GEN IV nuclear reactors, with an emphasis on the effects of grain size, grain boundaries and second phases on the creep properties; the mechanisms of dislocation creep, diffusional creep and cavitation; the onset of tertiary creep; and theoretical modeling for long-term predictions of materials behavior and for high temperature alloy design.

  13. Method and system for ethanol production

    DOE Patents [OSTI]

    Feder, H.M.; Chen, M.J.

    1980-05-21

    A transition metal carbonyl and a tertiary amine are employed as a homogeneous catalytic system in methanol or a less volatile solvent to react methanol with carbon monoxide and hydrogen gas producing ethanol and carbon dioxide. The gas contains a high carbon monoxide to hydrogen ratio as is present in a typical gasifier product. The reaction has potential for anhydrous ethanol production as carbon dioxide rather than water is produced. The only other significant by-product is methane. Selected transition metal carbonyls include those of iron, ruthenium and possibly manganese and osmium. Selected amines include trimethylamine, N-Methylpyrrolidine, 24-diazabicyclooctane, dimethyneopentylamine and 2-pryidinol.

  14. Recovery of organic acids

    DOE Patents [OSTI]

    Verser, Dan W. (Golden, CO); Eggeman, Timothy J. (Lakewood, CO)

    2009-10-13

    A method is disclosed for the recovery of an organic acid from a dilute salt solution in which the cation of the salt forms an insoluble carbonate salt. A tertiary amine and CO.sub.2 are introduced to the solution to form the insoluble carbonate salt and a complex between the acid and an amine. A water immiscible solvent, such as an alcohol, is added to extract the acid/amine complex from the dilute salt solution to a reaction phase. The reaction phase is continuously dried and a product between the acid and the solvent, such as an ester, is formed.

  15. Method and system for ethanol production

    DOE Patents [OSTI]

    Feder, H.M.; Chen, M.J.

    1981-09-24

    A transition metal carbonyl and a tertiary amine are employed as a homogeneous catalytic system in methanol or a less volatile solvent to react methanol with carbon monoxide and hydrogen gas producing ethanol and carbon dioxide. The gas contains a high carbon monoxide to hydrogen ratio as is present in a typical gasifier product. The reaction has potential for anhydrous ethanol production as carbon dioxide rather than water is produced. Selected transition metal carbonyls include those of iron, rhodium, ruthenium, manganese in combination with iron and possibly osmium. Selected amines include trimethylamine, N-Methylpyrrolidine, 2,4-diazabicyclooctane, dimethylneopentylamine, N-methylpiperidine and derivatives of N-methylpiperidine.

  16. Method and system for ethanol production

    DOE Patents [OSTI]

    Feder, Harold M.; Chen, Michael J.

    1981-01-01

    A transition metal carbonyl and a tertiary amine are employed as a homogeneous catalytic system in methanol or a less volatile solvent to react methanol with carbon monoxide and hydrogen gas producing ethanol and carbon dioxide. The gas contains a high carbon monoxide to hydrogen ratio as is present in a typical gasifier product. The reaction has potential for anhydrous ethanol production as carbon dioxide rather than water is produced. The only other significant by product is methane. Selected transition metal carbonyls include those of iron, ruthenium and possibly manganese and osmium. Selected amines include trimethylamine, N-Methylpyrrolidine, 24-diazabicyclooctane, dimethyneopentylamine and 2-pryidinol.

  17. Method and system for ethanol production

    DOE Patents [OSTI]

    Feder, Harold M.; Chen, Michael J.

    1983-01-01

    A transition metal carbonyl and a tertiary amine are employed as a homogeneous catalytic system in methanol or a less volatile solvent to react methanol with carbon monoxide and hydrogen gas producing ethanol and carbon dioxide. The gas contains a high carbon monoxide to hydrogen ratio as is present in a typical gasifier product. The reaction has potential for anhydrous ethanol production as carbon dioxide rather than water is produced. Selected transition metal carbonyls include those of iron, rhodium ruthenium, manganese in combination with iron and possibly osmium. Selected amines include trimethylamine, N-Methylpyrrolidine, 2,4-diazabicyclooctane, dimethylneopentylamine, N-methylpiperidine and derivatives of N-methylpiperidine.

  18. THE PHASES DIFFERENTIAL ASTROMETRY DATA ARCHIVE. V. CANDIDATE SUBSTELLAR COMPANIONS TO BINARY SYSTEMS

    SciTech Connect (OSTI)

    Muterspaugh, Matthew W.; Lane, Benjamin F.; Kulkarni, S. R.; Konacki, Maciej; Burke, Bernard F.; Colavita, M. M.; Shao, M.; Hartkopf, William I.; Boss, Alan P.; Williamson, M. E-mail: blane@draper.co

    2010-12-15

    The Palomar High-precision Astrometric Search for Exoplanet Systems monitored 51 subarcsecond binary systems to evaluate whether tertiary companions as small as Jovian planets orbited either the primary or secondary stars, perturbing their otherwise smooth Keplerian motions. Six binaries are presented that show evidence of substellar companions orbiting either the primary or secondary star. Of these six systems, the likelihoods of two of the detected perturbations to represent real objects are considered to be 'high confidence', while the remaining four systems are less certain and will require continued observations for confirmation.

  19. Photochemical dimerization and functionalization of alkanes, ethers, primary and secondary alcohols, phosphine oxides and silanes

    DOE Patents [OSTI]

    Crabtree, R.H.; Brown, S.H.

    1989-10-17

    The space-time yield and/or the selectivity of the photochemical dimerization of alkanes, ethers, primary and secondary alcohols, phosphine oxides and primary, secondary and tertiary silanes with Hg and U.V. light is enhanced by refluxing the substrate in the irradiated reaction zone at a temperature at which the dimer product condenses and remains condensed promptly upon its formation. Cross-dimerization of the alkanes, ethers and silanes with primary alcohols is disclosed, as is the functionalization to aldehydes of the alkanes with carbon monoxide.

  20. Regenerable solid imine sorbents

    DOE Patents [OSTI]

    Gray, McMahan; Champagne, Kenneth J.; Fauth, Daniel; Beckman, Eric

    2013-09-10

    Two new classes of amine-based sorbents are disclosed. The first class comprises new polymer-immobilized tertiary amine sorbents; the second class new polymer-bound amine sorbents. Both classes are tailored to facilitate removal of acid anhydrides, especially carbon dioxide (CO.sub.2), from effluent gases. The amines adsorb acid anhydrides in a 1:1 molar ratio. Both classes of amine sorbents adsorb in the temperature range from about 20.degree. C. upwards to 90.degree. C. and can be regenerated by heating upwards to 100.degree. C.

  1. URANIUM SEPARATION PROCESS

    DOE Patents [OSTI]

    McVey, W.H.; Reas, W.H.

    1959-03-10

    The separation of uranium from an aqueous solution containing a water soluble uranyl salt is described. The process involves adding an alkali thiocyanate to the aqueous solution, contacting the resulting solution with methyl isobutyl ketons and separating the resulting aqueous and organic phase. The uranium is extracted in the organic phase as UO/sub 2/(SCN)/sub/.

  2. Hydridomethyl iridium complex

    DOE Patents [OSTI]

    Bergman, Robert G.; Buchanan, J. Michael; Stryker, Jeffrey M.; Wax, Michael J.

    1989-01-01

    A process for functionalizing methane comprising: (a) reacting methane with a hydridoalkyl metal complex of the formula: CpIr[P(R.sub.1).sub.3 ]H(R.sub.2) wherein Cp represents a cyclopentadienyl or alkylcyclopentadienyl radical having from 1 to 5 carbon atoms; Ir represents an iridium atom; P represents a phosphorus atom; R.sub.1 represents an alkyl group; R.sub.2 represents an alkyl group having at least two carbon atoms; and H represents a hydrogen atom, in the presence of a liquid alkane R.sub.3 H having at least three carbon atoms to form a hydridomethyl complex of the formula: CpIr[P(R.sub.1).sub.3 ]HMe where Me represents a methyl radical. (b) reacting said hydridomethyl complex with an organic halogenating agent such as a tetrahalomethane or a haloform of the formulas: CX'X"X'"X"" or CHX'X"X'"; wherein X', X", X"', and X"" represent halogens selected from bromine, iodine and chlorine, to halomethyl complex of step (a) having the formula: CpIr[P(R.sub.1).sub.3 ]MeX: (c) reacting said halomethyl complex with a mercuric halide of the formula HgX.sub.2 to form a methyl mercuric halide of the formula HgMeX; and (d) reacting said methyl mercuric halide with a molecular halogen of the formula X.sub.2 to form methyl halide.

  3. Method of absorbing UF.sub.6 from gaseous mixtures in alkamine absorbents

    DOE Patents [OSTI]

    Lafferty, Robert H.; Smiley, Seymour H.; Radimer, Kenneth J.

    1976-04-06

    A method of recovering uranium hexafluoride from gaseous mixtures employing as an absorbent a liquid composition at least one of the components of which is chosen from the group consisting of ethanolamine, diethanolamine, and 3-methyl-3-amino-propane-diol-1,2.

  4. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... E-mail: jiufulu@163.com ; Hong-Guang, Ge ; Juan, Shi Reaction of 2-(1-methyl-1,2-dihydroim... The final Rsup 1 0.0711 and wRsup 2 0.1903 for reflections withmore I > 2(I). ...

  5. Biodiesel fuel from animal fat. Ancillary studies on transesterification of beef tallow

    SciTech Connect (OSTI)

    Ma, F.; Clements, L.D.; Hanna, M.A.

    1998-09-01

    Transesterification of beef tallow was investigated. The solubility of ethanol in beef tallow was much higher than that of methanol. At 100 C the solubility of methanol was 19% (w/w). The solubility of ethanol in beef tallow reached 100% (w/w) at about 68 C. For the distribution of methanol between beef tallow methyl esters (BTME) and glycerol, the percentage of total methanol in the glycerol phase was higher than that in the fatty acid methyl ester (FAME) phase in a simulated system at room temperature. At 65--80 C, however, the percentage of total methanol in FAME (60% (w/w)) was higher than that in glycerol (40% (w/w)) in a 90:10 (w/w) blend of FAME and glycerol. This coincided with the methanol distribution in the transesterified product. The process for making beef tallow methyl esters should recover methanol using vacuum distillation, separate the ester and glycerol phases, and then wash the beef tallow methyl esters with warm water. At neutral pH, the separation of ester and glycerol and water washing was easier because it reduced emulsion formation.

  6. Structure and Function of the Glycopeptide N-methyltransferase MtfA, a Tool for the Biosynthesis of Modified Glycopeptide Antibiotics

    SciTech Connect (OSTI)

    Shi, Rong; Lamb, Sherry S.; Zakeri, Bijan; Proteau, Ariane; Cui, Qizhi; Sulea, Traian; Matte, Allan; Wright, Gerard D.; Cygler, Miroslaw

    2009-06-01

    There is a considerable interest in the modification of existing antibiotics to generate new antimicrobials. Glycopeptide antibiotics (GPAs) are effective against serious Gram-positive bacterial pathogens including methicillin-resistant Staphylococcus aureus. However, resistance to these antibiotics is becoming a serious problem requiring new strategies. We show that the Amycolatopsis orientalis (S)-adenosyl-L-methionine-dependent methyltransferase MtfA, from the vancomycin-class GPA chloroeremomycin biosynthetic pathway, catalyzes in vivo and in vitro methyl transfer to generate methylated GPA derivatives of the teicoplanin class. The crystal structure of MtfA complexed with (S)-adenosyl-L-methionine, (S)-adenosylhomocysteine, or sinefungin inhibitor, coupled with mutagenesis, identified His228 as a likely general base required for methyl transfer to the N terminus of the glycopeptide. Computational docking and molecular dynamics simulations were used to model binding of demethyl-vancomycin aglycone to MtfA. These results demonstrate its utility as a tool for engineering methylated analogs of GPAs.

  7. Impact of Solvent on Photocatalytic Mechanisms: Reactions of Photodesorption Products with Ice Overlayers on the TiO2(110) Surface

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2011-04-07

    The effects of water and methanol ice overlayers on the photodecomposition of acetone on rutile TiO2(110) were evaluated in ultrahigh vacuum (UHV) using photon stimulated desorption (PSD) and temperature programmed desorption (TPD). In the absence of ice overlayers, acetone photodecomposed on TiO2(110) at 95 K by ejection of a methyl radical into the gas phase and formation of acetate on the surface. With ice overlayers, the methyl radicals are trapped at the interface between TiO2(110) and the ice. When water ice was present, these trapped methyl radicals reacted either with each other to form ethane or with other molecules in the ice (e.g., water or displaced acetone) to form methane (CH4), ethane (CH3CH3) and other products (e.g., methanol), with all of these products trapped in the ice. The new products were free to revisit the surface or depart during desorption of the ice. When methanol ice was present, methane formation came about only from reaction of trapped methyl radicals with the methanol ice. Methane and ethane slowly leaked through methanol ice overlayers into vacuum at 95 K, but not through water ice overlayers. Different degrees of site competition between water and acetone, and between methanol and acetone led to different hydrogen abstraction pathways in the two ices. These results provide new insights into product formation routes and solution-phase radical formation mechanisms that are important in heterogeneous photocatalysis.

  8. Catalytic Routes for the Conversion of Biomass Derivatives to Hydrocarbons and/or Platform Chemicals

    SciTech Connect (OSTI)

    Silks, III, Louis A.

    2015-10-07

    Unprotected carbohydrates were reacted in amine-catalyzed cascade reactions with various methyl ketones to give a direct access to C-glycosides by an operationally simple protocol. As the reaction mechanism,an aldol condensation followed by an intramolecular conjugate addition is assumed.

  9. Synergistic effect of mixing dimethyl ether with methane, ethane, propane, and ethylene fuels on polycyclic aromatic hydrocarbon and soot formation

    SciTech Connect (OSTI)

    Yoon, S.S.; Anh, D.H.; Chung, S.H.

    2008-08-15

    Characteristics of polycyclic aromatic hydrocarbon (PAH) and soot formation in counterflow diffusion flames of methane, ethane, propane, and ethylene fuels mixed with dimethyl ether (DME) have been investigated. Planar laser-induced incandescence and fluorescence techniques were employed to measure relative soot volume fractions and PAH concentrations, respectively. Results showed that even though DME is known to be a clean fuel in terms of soot formation, DME mixture with ethylene fuel increases PAH and soot formation significantly as compared to the pure ethylene case, while the mixture of DME with methane, ethane, and propane decreases PAH and soot formation. Numerical calculations adopting a detailed kinetics showed that DME can be decomposed to produce a relatively large number of methyl radicals in the low-temperature region where PAH forms and grows; thus the mixture of DME with ethylene increases CH{sub 3} radicals significantly in the PAH formation region. Considering that the increase in the concentration of O radicals is minimal in the PAH formation region with DME mixture, the enhancement of PAH and soot formation in the mixture flames of DME and ethylene can be explained based on the role of methyl radicals in PAH and soot formation. Methyl radicals can increase the concentration of propargyls, which could enhance incipient benzene ring formation through the propargyl recombination reaction and subsequent PAH growth. Thus, the result substantiates the importance of methyl radicals in PAH and soot formation, especially in the PAH formation region of diffusion flames. (author)

  10. Metal resistance sequences and transgenic plants

    DOE Patents [OSTI]

    Meagher, Richard Brian; Summers, Anne O.; Rugh, Clayton L.

    1999-10-12

    The present invention provides nucleic acid sequences encoding a metal ion resistance protein, which are expressible in plant cells. The metal resistance protein provides for the enzymatic reduction of metal ions including but not limited to divalent Cu, divalent mercury, trivalent gold, divalent cadmium, lead ions and monovalent silver ions. Transgenic plants which express these coding sequences exhibit increased resistance to metal ions in the environment as compared with plants which have not been so genetically modified. Transgenic plants with improved resistance to organometals including alkylmercury compounds, among others, are provided by the further inclusion of plant-expressible organometal lyase coding sequences, as specifically exemplified by the plant-expressible merB coding sequence. Furthermore, these transgenic plants which have been genetically modified to express the metal resistance coding sequences of the present invention can participate in the bioremediation of metal contamination via the enzymatic reduction of metal ions. Transgenic plants resistant to organometals can further mediate remediation of organic metal compounds, for example, alkylmetal compounds including but not limited to methyl mercury, methyl lead compounds, methyl cadmium and methyl arsenic compounds, in the environment by causing the freeing of mercuric or other metal ions and the reduction of the ionic mercury or other metal ions to the less toxic elemental mercury or other metals.

  11. Continuous wasteless ecologically safe technology of propylenecarbonate production in presence of phthalocyanine catalysts

    DOE Patents [OSTI]

    Afanasiev, Vladimir Vasilievich; Zefirov, Nikolai Serafimovich; Zalepugin, Dmitry Yurievich; Polyakov, Victor Stanislavovich; Tilkunova,Nataliya Alexandrovna; Tomilova, Larisa Godvigovna

    2009-09-08

    A continuous method of producing propylenecarbonate includes carboxylation of propylene oxide with carbon dioxide in presence of phthalocyanine catalyst on an inert carrier, using as the phthalocyanine catalyst at least one catalyst selected from the group consisting of not-substituted, methyl, ethyl, butyl, and tret butyl-substituted phthalocyanines of metals, including those containing counterions, and using as the carrier a hydrophobic carrier.

  12. Subcritical water extraction of lipids from wet algal biomass

    DOE Patents [OSTI]

    Deng, Shuguang; Reddy, Harvind K.; Schaub, Tanner; Holguin, Francisco Omar

    2016-05-03

    Methods of lipid extraction from biomass, in particular wet algae, through conventionally heated subcritical water, and microwave-assisted subcritical water. In one embodiment, fatty acid methyl esters from solids in a polar phase are further extracted to increase biofuel production.

  13. Self-assembly and photophysical properties of lanthanide dinuclear triple-helical complexes

    SciTech Connect (OSTI)

    Piguet, C.; Bernardinelli, G.; Williams, A.F. ); Buenzli, J.C.G. ); Hopfgartner, G. )

    1993-09-08

    The dinucleating ligand bis[1-methyl-2-(6[prime]-[1[double prime]-(3,5-dimethoxybenzyl)benzimidazol-2[double prime]-yl]pyrid-2[prime]-yl)benzimidazol-5-yl]methane (L) reacts with lanthanide perchlorates to give dinuclear 2:3 complexes [Ln[sub 2](L)[sub 3

  14. DOE/SC0007014-Final

    SciTech Connect (OSTI)

    Miller, Susan M.

    2014-09-14

    Hg is a wide-spread contaminant in the environment and is toxic in all of its various forms. Organomercurials (RHg+) and mercuric ion (Hg2+) directly inactivate proteins by binding to their cysteine or selenocysteine residues. In our previous collaborative project involving the Summers, Miller and Lipton laboratories, we developed a high-throughput, mass spectrometry-based global proteomics approach using the 7 stable isotopes of Hg to identify proteins from phenylmercury-exposed E. coli cells that form stable PhHg-adducts. The two overall objectives of this subsequent collaborative project were (1) to expand our novel organomercury-proteomics capability for use with inorganic ionic (HgX2) exposure and (2) to use this new capability to identify Hg-protein adducts in methylating and non-methylating Desulfovibrio exposed to inorganic ionic HgX2 and test whether those identified uniquely in methylating bacteria are involved in the methylation pathway. The specific objectives and accomplishments of the Miller lab in this project included: Development of algorithms for analysis of the Hg-proteomic mass spectrometry data to identify and quantify Hg-adducted peptides and other trends in the data.

  15. Chemistry: Theory - Combustion Energy Frontier Research Center

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Theory Chemistry: Theory Presentations from 2010 CEFRC First Annual Conference MultireferenceCorrelated WavefunctionCalculations and Reaction Flux Analyses of Methyl Ester Combustion Emily A. Carter, Princeton University Constructing Accurate Combustion Chemistry Models William H. Green, MIT Theoretical Gas Phase Chemical Kinetics Stephen J. Klippenstein, Argonne National Laboratory Theoretical Chemical Kinetics and Combustion Modeling James A. Miller, Argonne National Laboratory Computation of

  16. Ultraviolet absorbing copolymers

    DOE Patents [OSTI]

    Gupta, Amitava; Yavrouian, Andre H.

    1982-01-01

    Photostable and weather stable absorping copolymers have been prepared from acrylic esters such as methyl methacrylate containing 0.1 to 5% of an 2-hydroxy-allyl benzophenone, preferably the 4,4' dimethoxy derivative thereof. The pendant benzophenone chromophores protect the acrylic backbone and when photoexcited do not degrade the ester side chain, nor abstract hydrogen from the backbone.

  17. Solvent Extraction of Chemical Attribution Signature Compounds from Painted Wall Board: Final Report

    SciTech Connect (OSTI)

    Wahl, Jon H.; Colburn, Heather A.

    2009-10-29

    This report summarizes work that developed a robust solvent extraction procedure for recovery of chemical attribution signature (CAS) compound dimethyl methyl phosphonate (DMMP) (as well as diethyl methyl phosphonate (DEMP), diethyl methyl phosphonothioate (DEMPT), and diisopropyl methyl phosphonate (DIMP)) from painted wall board (PWB), which was selected previously as the exposed media by the chemical attribution scientific working group (CASWG). An accelerated solvent extraction approach was examined to determine the most effective method of extraction from PWB. Three different solvent systems were examined, which varied in solvent strength and polarity (i.e., 1:1 dichloromethane : acetone,100% methanol, and 1% isopropanol in pentane) with a 1:1 methylene chloride : acetone mixture having the most robust and consistent extraction for four original target organophosphorus compounds. The optimum extraction solvent was determined based on the extraction efficiency of the target analytes from spiked painted wallboard as determined by gas chromatography x gas chromatography mass spectrometry (GCxGC-MS) analysis of the extract. An average extraction efficiency of approximately 60% was obtained for these four compounds. The extraction approach was further demonstrated by extracting and detecting the chemical impurities present in neat DMMP that was vapor-deposited onto painted wallboard tickets.

  18. Giant fields of the late 80s associated with type [open quotes]A[close quotes] subduction in South America

    SciTech Connect (OSTI)

    Duval, B.; Cramez, C. ); Figuera, J. ); Lander, R. ); Hernandez, G. )

    1993-02-01

    About 10 billion bbl of recoverable oil have been found in these three fields for which the petroleum generating subsystem is very similar. The potential source rocks are the organic sediments associated with the major downlap surface of the post-Pangea continental encroachment sedimentary cycle, i.e., MFS 91, 5 Ma (La Luna formation). However, the concentrating physico-chemical petroleum subsystem is quite different. The El Furrial/Musipan field is associated with a Tertiary foredeep basin overlying a generating Atlantic type passive margin. On the other hand, Cusiana and Ceuta fields are associated with a Tertiary foredeep basin developed over a generating back-arc basin. The different stacking of sedimentary basins controls the migration/entrapment petroleum subsystem. In El Furrial/Musipan, decollement surfaces and their associated thrusts are predominant whereas, in Ceuta and Cusiana the majority of compressional structures are created by tectonic inversions. These tectonic settings create different petroleum systems: (a) supercharged with low impedance and lateral drainage in El Furrial/Musipan, (b) normally charged with high impedance and vertically drained in Ceuta and Cusiana area. Each case requires appropriated exploration approaches.

  19. Reactions of C{sub 2}(a {sup 3} product {sub u}) with selected saturated alkanes: A temperature dependence study

    SciTech Connect (OSTI)

    Hu Renzhi; Zhang Qun; Chen Yang

    2010-04-28

    We present a temperature dependence study on the gas phase reactions of the C{sub 2}(a {sup 3} product {sub u}) radical with a selected series of saturated alkanes (C{sub 2}H{sub 6}, C{sub 3}H{sub 8}, n-C{sub 4}H{sub 10}, i-C{sub 4}H{sub 10}, and n-C{sub 6}H{sub 14}) by means of pulsed laser photolysis/laser-induced fluorescence technique. The bimolecular rate constants for these reactions were obtained between 298 and 673 K. A pronounced negative temperature effect was observed for n-C{sub 4}H{sub 10}, i-C{sub 4}H{sub 10}, and n-C{sub 6}H{sub 14} and interpreted in terms of steric hindrance of the more reactive secondary or tertiary C-H bonds by less reactive CH{sub 3} groups. Detailed analysis of our experimental results reveals quantitatively the temperature dependence of reactivities for the primary, secondary, and tertiary C-H bonds in these saturated alkanes and further lends support to a mechanism of hydrogen abstraction.

  20. The petroleum geology of the sub-Andean basins

    SciTech Connect (OSTI)

    Mathalone, J.M.P.

    1996-08-01

    The sub-Andean trend of basins spans the entire length of South America from Venezuela in the north to Argentina in the south. All the basins produce hydrocarbons with the exception of the Argentinean Bolsones complex and the Peruvian Madro de Dios which is prospective but virtually unexplored. There have been some 119 billion barrels of oil and 190 TCF of gas discovered to date, comprising 93% of the continent`s oil reserves. The basins lie immediately east of the Andes mountain range and are mainly asymmetric Upper Tertiary, westerly dipping foreland basins that overlie a series of earlier Tertiary, Mesozoic and Paleozoic depocentres. All the basins have been compressively deformed as recently as the Upper Miocene, by the eastwards growth of the Andean Cordillera. Giant oil and gas fields sourced from shales of varying age, have been found along the whole trend of basins, with a predominance of gas in the south. The rich marine Upper Cretaceous La Luna and equivalent shales of Venezuela, Colombia and Ecuador have been responsible for generating 86% of the hydrocarbons discovered to date in the sub-Andean basins. Proven sources include Devonian, Carboniferous, Permian and Triassic shales in the central area, comprising Peru, Bolivia and northern Argentina. In southern Argentina, oils have been sourced from Uppermost Jurassic and Lower Cretaceous marine and lacustrine shales. Over 7500 wildcat wells have been drilled in basins along the trend, with a 15% success rate. Many of the basins are very lightly explored, with considerable potential for future discoveries.

  1. Probing the mechanism of rubredoxin thermal unfolding in the absence of salt bridges by temperature jump experiments

    SciTech Connect (OSTI)

    Henriques, Barbara J. [Instituto Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Oeiras (Portugal); Saraiva, Ligia M. [Instituto Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Oeiras (Portugal); Gomes, Claudio M. [Instituto Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Oeiras (Portugal)]. E-mail: gomes@itqb.unl.pt

    2005-08-05

    Rubredoxins are the simplest type of iron-sulphur proteins and in recent years they have been used as model systems in protein folding and stability studies, especially the proteins from thermophilic sources. Here, we report our studies on the rubredoxin from the hyperthermophile Methanococcus jannaschii (T {sub opt} = 85 deg C), which was investigated in respect to its thermal unfolding kinetics by temperature jump experiments. Different spectroscopic probes were used to monitor distinct structural protein features during the thermal transition: the integrity of the iron-sulphur centre was monitored by visible absorption spectroscopy, whereas tertiary structure was followed by intrinsic tryptophan fluorescence and exposure of protein hydrophobic patches was sensed by 1-anilinonaphthalene-8-sulphonate fluorescence. The studies were performed at acidic pH conditions in which any stabilising contributions from salt bridges are annulled due to protonation of protein side chain groups. In these conditions, M. jannaschii rubredoxin assumes a native-like, albeit more flexible and open conformation, as indicated by a red shift in the tryptophan emission maximum and 1-anilinonaphthalene-8-sulphonate binding. Temperature jumps were monitored by the three distinct techniques and showed that the protein undergoes thermal denaturation via a simple two step mechanism, as loss of tertiary structure, hydrophobic collapse, and disintegration of the iron-sulphur centre are concomitant processes. The proposed mechanism is framed with the multiphasic one proposed for Pyrococcus furiosus rubredoxin, showing that a common thermal unfolding mechanism is not observed between these two closely related thermophilic rubredoxins.

  2. Molecular crowding overcomes the destabilizing effects of mutations in a bacterial ribozyme

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lee, Hui-Ting; Kilburn, D.; Behrouzi, R.; Briber, R. M.; Woodson, S. A.

    2014-12-05

    The native structure of the Azoarcus group I ribozyme is stabilized by the cooperative formation of tertiary interactions between double helical domains. Thus, even single mutations that break this network of tertiary interactions reduce ribozyme activity in physiological Mg2+ concentrations. Here, we report that molecular crowding comparable to that in the cell compensates for destabilizing mutations in the Azoarcus ribozyme. Small angle X-ray scattering, native polyacrylamide gel electrophoresis and activity assays were used to compare folding free energies in dilute and crowded solutions containing 18% PEG1000. Crowder molecules allowed the wild-type and mutant ribozymes to fold at similarly low Mg2+more » concentrations and stabilized the active structure of the mutant ribozymes under physiological conditions. This compensation helps explains why ribozyme mutations are often less deleterious in the cell than in the test tube. Nevertheless, crowding did not rescue the high fraction of folded but less active structures formed by double and triple mutants. We conclude that crowding broadens the fitness landscape by stabilizing compact RNA structures without improving the specificity of self-assembly.« less

  3. Optoelectronic devices incorporating fluoropolymer compositions for protection

    DOE Patents [OSTI]

    Chen, Xuming; Chum, Pak-Wing S.; Howard, Kevin E.; Lopez, Leonardo C.; Sumner, William C.; Wu, Shaofu

    2015-12-22

    The fluoropolymer compositions of the present invention generally incorporate ingredients comprising one or more fluoropolymers, an ultraviolet light protection component (hereinafter UV protection component), and optionally one or more additional ingredients if desired. The UV protection component includes a combination of at least one hindered tertiary amine (HTA) compound having a certain structure and a weight average molecular weight of at least 1000. This tertiary amine is used in combination with at least one organic, UV light absorbing compound (UVLA compound) having a weight average molecular weight greater than 500. When the HTA compound and the UVLA compound are selected according to principles of the present invention, the UV protection component provides fluoropolymer compositions with significantly improved weatherability characteristics for protecting underlying materials, features, structures, components, and/or the like. In particular, fluoropolymer compositions incorporating the UV protection component of the present invention have unexpectedly improved ability to resist blackening, coloration, or other de gradation that may be caused by UV exposure. As a consequence, devices protected by these compositions would be expected to have dramatically improved service life. The compositions have a wide range of uses but are particularly useful for forming protective layers in optoelectronic devices.

  4. Challenge for Mesozoic hydrocarbon exploration in the Eastern Indonesia

    SciTech Connect (OSTI)

    Abdullah, S.; Rukmiati, M.G.; Sitompul, N.

    1996-12-31

    The eastern part of Indonesia covers approximately 3 million square kilometers, 35 percent being landmass and 65 percent covered by ocean. Only three of 38 sedimentary basins are producing hydrocarbon (Salawati, Bintuni, and Seram Basins). Oil and gas have discovered in the Lariang, Bone, Timor, Banggai, Sula and Biak Basins, however the discoveries have not developed yet. Hydrocarbon systems in Northern Australia and Papua New Guinea give the major contributions to the geological idea of Pre-Tertiary section in the less explored area in the Eastern Indonesia. The Triassic-Middle Jurassic marine carbonaceous shale sequences are the main hydrocarbon source rock in the Irian Jaya and surrounding area (Buton, gula and Seram basins). The main Mesozoic reservoir are the Kembelangan Formation in the Bintuni Basin of Irian Jaya and Bobong Formation in the North Sula Region. Exploration play types in the Eastern Indonesia can be divided into five types: 1 - Peri Cratonic, 2 - Marginal Rift Graben, 3 - Thrust Fold Belt Island Arc, 4 - Early Collision and 5 -Microcontinental Block - Advanced Collision. Recent discoveries through Mesozoic section in Eastern Indonesia are: Roabiba-1 (1990) in Bintuni Basin-Irian Jaya (Kambelangan Formation); Loku- 1 (1990) in North Sula region (Pre-Tertiary sediments); Oseil-1 (1993/94) in Bula-Seram Basin (Jurassic Manusela Formation); Elang-1 (1 994); Kakaktua-1 (1994) and Laminaria-1 in North Bonaparte Basin (Upper Jurassic Sands).

  5. Challenge for Mesozoic hydrocarbon exploration in the Eastern Indonesia

    SciTech Connect (OSTI)

    Abdullah, S.; Rukmiati, M.G.; Sitompul, N. )

    1996-01-01

    The eastern part of Indonesia covers approximately 3 million square kilometers, 35 percent being landmass and 65 percent covered by ocean. Only three of 38 sedimentary basins are producing hydrocarbon (Salawati, Bintuni, and Seram Basins). Oil and gas have discovered in the Lariang, Bone, Timor, Banggai, Sula and Biak Basins, however the discoveries have not developed yet. Hydrocarbon systems in Northern Australia and Papua New Guinea give the major contributions to the geological idea of Pre-Tertiary section in the less explored area in the Eastern Indonesia. The Triassic-Middle Jurassic marine carbonaceous shale sequences are the main hydrocarbon source rock in the Irian Jaya and surrounding area (Buton, gula and Seram basins). The main Mesozoic reservoir are the Kembelangan Formation in the Bintuni Basin of Irian Jaya and Bobong Formation in the North Sula Region. Exploration play types in the Eastern Indonesia can be divided into five types: 1 - Peri Cratonic, 2 - Marginal Rift Graben, 3 - Thrust Fold Belt Island Arc, 4 - Early Collision and 5 -Microcontinental Block - Advanced Collision. Recent discoveries through Mesozoic section in Eastern Indonesia are: Roabiba-1 (1990) in Bintuni Basin-Irian Jaya (Kambelangan Formation); Loku- 1 (1990) in North Sula region (Pre-Tertiary sediments); Oseil-1 (1993/94) in Bula-Seram Basin (Jurassic Manusela Formation); Elang-1 (1 994); Kakaktua-1 (1994) and Laminaria-1 in North Bonaparte Basin (Upper Jurassic Sands).

  6. New hypothesis for formation of Lengguru foldbelt, Irian Jaya, Indonesia

    SciTech Connect (OSTI)

    Dow, D.B.; Robinson, G.P.; Ratman, N.

    1985-02-01

    The Lengguru foldbelt, an area 300 km (180 mi) long with a maximum width of 100 km (60 mi), is near the western end of the island of New Guinea. Sedimentary rocks of the belt include Mesozoic marine sandstone and shale, Tertiary deep-water limestone, Tertiary shelf limestone, and upper Miocene to Pleistocene detritus. The slab of folded platform sedimentary rocks making up the Lengguru foldbelt was originally at the northern margin of the Australian continent and was thrust southwestward over the undeformed continental crust of the western part of New Guinea. The slab was also rotated clockwise by about 30/sup 0/ about a pivot at its northern end. During rotation, thrusting and decollement within the foldbelt caused a repetition by stacking of the stratigraphic section, and the belt was dragged along transcurrent faults to the south. This foldbelt is of interest for oil exploration because of proximity to the Salawati and Bintuni oil fields on the westernmost tip of the island.

  7. Petroleum geology of principal sedimentary basins in eastern China

    SciTech Connect (OSTI)

    Lee, K.Y.

    1986-05-01

    The principal petroliferous basins in eastern China are the Songliao, Ordos, and Sichuan basins of Mesozoic age, and the North China, Jianghan, Nanxiang, and Subei basins of Cenozoic age. These basins contain mostly continental fluvial and lacustrine detrital sediments. Four different geologic ages are responsible for the oil and gas in this region: (1) Mesozoic in the Songliao, Ordos, and Sichuan basins; (2) Tertiary in the North China, Jianghan, Nanxiang, and Subei basins; (3) Permian-Carboniferous in the southern North China basin and the northwestern Ordos basin; and (4) Sinian in the southern Sichuan basin. The most prolific oil and gas sources are the Mesozoic of the Songliao basin and the Tertiary of the North China basin. Although the major source rocks in these basins are lacustrine mudstone and shale, their tectonic settings and the resultant temperature gradients differ. For example, in the Songliao, North China, and associated basins, trapping conditions commonly are associated with block faulting of an extensional tectonic regime; the extensional tectonics in turn contribute to a high geothermal gradient (40/sup 0/-60/sup 0/C/km), which results in early maturation and migration for relatively shallow deposits. However, the Ordos and Sichuan basins formed under compressional conditions and are cooler. Hence, maturation and migration occurred late, relative to reservoir deposition and burial, the result being a poorer quality reservoir.

  8. NBS/LANL racetrack microtron control system

    SciTech Connect (OSTI)

    Ayres, R.L.; Yoder, N.R.; Martin, E.R.; Trout, R.E.; Wilson, B.L.

    1985-01-01

    The distributed intelligence control system for the NBS/LANL racetrack microtron (RTM) is now nearing completion with all major subsystems implemented and tested, thus providing some operating experience with most of the control system innovations. These include a triple hierarchy of microprocessor-based control elements, consisting of a primary control station and multiple secondary and tertiary control stations; light-link coupling to a tertiary station which operates at a 100 kV potential; a common database shared by separate microprocessors for handling hardware control and operator interactions; and joy stick control of the entire system. A unique secondary station interpreter program was used to great advantage for testing and checkout of various control and monitoring subsystems. The hardware design of the control system is based on Multibus I crates containing commercial Multibus I boards and a few custom designed boards. The primary-secondary data link is a high speed, bidirectional, full-duplex, 8-bit, ''byte'' parallel link designed for this application. This link permits very fast updating of the monitored data (>5 per second) and timely response to operator control inputs at the primary station.

  9. Summary geologic report on the Missoula/Bitterroot Drilling Project, Missoula/Bitterroot Basins, Montana

    SciTech Connect (OSTI)

    Abramiuk, I.N.

    1980-08-01

    The objective of the drilling project was to obtain information to assess the favorability of the Tertiary sedimentary units in the Missoula and Bitterroot Valleys for uranium potential. The group of Montana Tertiary basins, including the Missoula and Bitterroot Basins, has been assigned a speculative uranium potential of 46,557 tons of U/sub 3/O/sub 8/ at $100/lb by the 1980 National Uranium Resource Evaluation report. The seven drill holes, two in the Missoula Valley and five in the Bitterroot Valley, verified observations made during surface studies and provided additional information about the subsurface that was previously unknown. No uranium was found, although of the two localities the Bitterroot Valley is the more favorable. Three stratigraphic units were tentatively identified on the basis of lithology: pre-Renova clastic units, Renova Formation equivalents, and Sixmile Creek Formation equivalents. Of the three, the Renova Formation equivalents in the Bitterroot Valley appear to be the most favorable for possible uranium occurrences and the pre-Renova clastic units the least favorable.

  10. Iberia versus Europe - Effects of continental break-up and round-up on hydrocarbon habitat

    SciTech Connect (OSTI)

    Bourrouilh, R.; Zolnai, G.

    1988-08-01

    Based on the continuity of foldbelts and the positions of intermountain continental nuclei and transcontinental megashears, a close Pangea fit is proposed for the central and north Atlantic borderlands. The Variscan arch segment missing between Brittany and Galicia in the Gulf of Gascony (Biscaye) can tentatively be identified with the Flemish Cap block off Newfoundland. At the same time the northwest African-Gondwana border (central Morocco) was located some 800 km farther to the west-northwest, as compared to its present position in southwestern Europe (Iberia). During the opening of the central and northern segments of the Atlantic Ocean (Jurassic and Cretaceous) and during the closure of the western Mediterranean basin, i.e., the thrust of Africa toward southern Europe (Tertiary), the European continental mass underwent deformation in the transtensive and transpressive modes, which reactivated parts of its inherited structural network. The trailing south European continental margin was partially dismembered into loosely bound continental blocks, to be assembled again during the subsequent Alpine orogenic cycle. These events can be compared with processes known in the northernmost and western segments of the North American continent. Mechanisms are proposed for the formation and deformation of inter- and intraplate basins by way of moderate shifts (wrenching) and slight rotations, the direction of which changed during the Mesozoic-Tertiary according to the global stress field. The above evolution and mechanisms had multiple and decisive effects on hydrocarbon generation, habitat, and accumulation.

  11. A Hydrostratigraphic Model of the Pahute Mesa - Oasis Valley Area, Nye County, Nevada

    SciTech Connect (OSTI)

    S. L. Drellack, Jr.; L. B. Prothro; J. L. Gonzales

    2001-12-01

    A 3-D hydrostratigraphic framework model has been built for the use of hydrologic modelers who are tasked with developing a model to determine how contaminants are transported by groundwater flow in an area of complex geology. The area of interest includes Pahute Mesa, a former nuclear testing area at the Nevada Test Site (NTS), and Oasis Valley, a groundwater discharge area down-gradient from contaminant source areas on Pahute Mesa. To build the framework model, the NTS hydrogeologic framework was integrated with an extensive collection of drill-hole data (stratigraphic, lithologic, and alteration data); a structural model; and several recent geophysical, geological, and hydrological studies to formulate a hydrostratigraphic system. The authors organized the Tertiary volcanic units in the study area into 40 hydrostratigraphic units that include 16 aquifers, 13 confining units, and 11 composite units. The underlying pre-Tertiary rocks were divided into six hydrostratigraphic units, including two aquifers and four confining units. The model depicts the thickness, extent, and geometric relationships of these hydrostratigraphic units (''layers'' in the model) along with all the major structural features that control them, including calderas and faults. The complexity of the model area and the non-uniqueness of some of the interpretations incorporated into the base model made it necessary to address alternative interpretations for some of the major features in the model. Six of these alternatives were developed so they could be modeled in the same fashion as the base model.

  12. Evolution on folding landscapes in combinatorial structures

    SciTech Connect (OSTI)

    Fraser, S.M.; Reidys, C.M.

    1997-11-01

    In this paper the authors investigate the evolution of molecular structures by random point mutations. They will consider two types of molecular structures: (a) (RNA) secondary structures, and (b) random structures. In both cases structure consists of: (1) a contact graph, and (2) a family of relations imposed on its adjacent vertices. The vertex set of the contact graph is simply the set of all indices of a sequence, and its edges are the bonds. The corresponding relations associated with the edges are viewed as secondary base pairing rules and tertiary interaction rules respectively. Mapping of sequences into secondary and random structures are modeled and analyzed. Here, the set of all sequences that map into a particular structure is modeled as a random graph in the sequence space, the so called neutral network and they study how neutral networks are embedded in sequence space. A basic replication of deletion experiment reveals how effective secondary and random structures can be searched by random point mutations and to what extent the structure effects the dynamics of this optimization process. In particular the authors can report a nonlinear relation between the fraction of tertiary interactions in random structures, and the times taken for a population of sequences to find a high fitness target random structure.

  13. Protein structure prediction enhanced with evolutionary diversity : SPEED.

    SciTech Connect (OSTI)

    DeBartolo, J.; Hocky, G.; Wilde, M.; Xu, J.; Freed, K. F.; Sosnick, T. R.; Univ. of Chicago; Toyota Technological Inst. at Chicago

    2010-03-01

    For naturally occurring proteins, similar sequence implies similar structure. Consequently, multiple sequence alignments (MSAs) often are used in template-based modeling of protein structure and have been incorporated into fragment-based assembly methods. Our previous homology-free structure prediction study introduced an algorithm that mimics the folding pathway by coupling the formation of secondary and tertiary structure. Moves in the Monte Carlo procedure involve only a change in a single pair of {phi},{psi} backbone dihedral angles that are obtained from a Protein Data Bank-based distribution appropriate for each amino acid, conditional on the type and conformation of the flanking residues. We improve this method by using MSAs to enrich the sampling distribution, but in a manner that does not require structural knowledge of any protein sequence (i.e., not homologous fragment insertion). In combination with other tools, including clustering and refinement, the accuracies of the predicted secondary and tertiary structures are substantially improved and a global and position-resolved measure of confidence is introduced for the accuracy of the predictions. Performance of the method in the Critical Assessment of Structure Prediction (CASP8) is discussed.

  14. Area balance and strain in an extensional fault system: Strategies for improved oil recovery in fractured chalk, Gilbertown Field, southwestern Alabama. Final report, March 1996--September 1998

    SciTech Connect (OSTI)

    Pashin, J.C.; Raymond, D.E.; Rindsberg, A.K.; Alabi, G.G.; Carroll, R.E.; Groshong, R.H.; Jin, G.

    1998-12-01

    This project was designed to analyze the structure of Mesozoic and Tertiary strata in Gilbertown Field and adjacent areas to suggest ways in which oil recovery can be improved. The Eutaw Formation comprises 7 major flow units and is dominated by low-resistivity, low-contrast play that is difficult to characterize quantitatively. Selma chalk produces strictly from fault-related fractures that were mineralized as warm fluid migrated from deep sources. Resistivity, dipmeter, and fracture identification logs corroborate that deformation is concentrated in the hanging-wall drag zones. New area balancing techniques were developed to characterize growth strata and confirm that strain is concentrated in hanging-wall drag zones. Curvature analysis indicates that the faults contain numerous fault bends that influence fracture distribution. Eutaw oil is produced strictly from footwall uplifts, whereas Selma oil is produced from fault-related fractures. Clay smear and mineralization may be significant trapping mechanisms in the Eutaw Formation. The critical seal for Selma reservoirs, by contrast, is where Tertiary clay in the hanging wall is juxtaposed with poorly fractured Selma chalk in the footwall. Gilbertown Field can be revitalized by infill drilling and recompletion of existing wells. Directional drilling may be a viable technique for recovering untapped oil from Selma chalk. Revitalization is now underway, and the first new production wells since 1985 are being drilled in the western part of the field.

  15. Regulation of MDA-MB-231 cell proliferation by GSK-3? involves epigenetic modifications under high glucose conditions

    SciTech Connect (OSTI)

    Gupta, Chanchal; Kaur, Jasmine; Tikoo, Kulbhushan

    2014-05-15

    Hyperglycemia is a critical risk factor for development and progression of breast cancer. We have recently reported that high glucose induces phosphorylation of histone H3 at Ser 10 as well as de-phosphorylation of GSK-3? at Ser 9 in MDA-MB-231 cells. Here, we elucidate the mechanism underlying hyperglycemia-induced proliferation in MDA-MB-231 breast cancer cells. We provide evidence that hyperglycemia led to increased DNA methylation and DNMT1 expression in MDA-MB-231 cells. High glucose condition led to significant increase in the expression of PCNA, cyclin D1 and decrease in the expression of PTPN 12, p21 and PTEN. It also induced hypermethylation of DNA at the promoter region of PTPN 12, whereas hypomethylation at Vimentin and Snail. Silencing of GSK-3? by siRNA prevented histone H3 phosphorylation and reduced DNMT1 expression. We show that chromatin obtained after immunoprecipitation with phospho-histone H3 was hypermethylated under high glucose condition, which indicates a cross-talk between DNA methylation and histone H3 phosphorylation. ChIP-qPCR analysis revealed up-regulation of DNMT1 and metastatic genes viz. Vimentin, Snail and MMP-7 by phospho-histone H3, which were down-regulated upon GSK-3? silencing. To the best of our knowledge, this is the first report which shows that interplay between GSK-3? activation, histone H3 phosphorylation and DNA methylation directs proliferation of breast cancer cells. - Highlights: High glucose induces phosphorylation of histone H3 and dephosphorylation of GSK-3?. Moreover, hyperglycemia also leads to increased DNA methylation in MDA-MB-231 cells. Inhibition of GSK-3? prevented histone H3 phosphorylation and reduced DNMT1 levels. Interplay exists between GSK-3?, histone H3 phosphorylation and DNA methylation.

  16. Metabolic changes and DNA hypomethylation in cerebellum are associated with behavioral alterations in mice exposed to trichloroethylene postnatally

    SciTech Connect (OSTI)

    Blossom, Sarah J.; Cooney, Craig A.; Melnyk, Stepan B.; Rau, Jenny L.; Swearingen, Christopher J.; Wessinger, William D.

    2013-06-15

    Previous studies demonstrated that low-level postnatal and early life exposure to the environmental contaminant, trichloroethylene (TCE), in the drinking water of MRL +/+ mice altered glutathione redox homeostasis and increased biomarkers of oxidative stress indicating a more oxidized state. Plasma metabolites along the interrelated transmethylation pathway were also altered indicating impaired methylation capacity. Here we extend these findings to further characterize the impact of TCE exposure in mice exposed to water only or two doses of TCE in the drinking water (0, 2, and 28 mg/kg/day) postnatally from birth until 6 weeks of age on redox homeostasis and biomarkers of oxidative stress in the cerebellum. In addition, pathway intermediates involved in methyl metabolism and global DNA methylation patterns were examined in cerebellar tissue. Because the cerebellum is functionally important for coordinating motor activity, including exploratory and social approach behaviors, these parameters were evaluated in the present study. Mice exposed to 28 mg/kg/day TCE exhibited increased locomotor activity over time as compared with control mice. In the novel object exploration test, these mice were more likely to enter the zone with the novel object as compared to control mice. Similar results were obtained in a second test when an unfamiliar mouse was introduced into the testing arena. The results show for the first time that postnatal exposure to TCE causes key metabolic changes in the cerebellum that may contribute to global DNA methylation deficits and behavioral alterations in TCE-exposed mice. - Highlights: We exposed male mice to low-level trichloroethylene from postnatal days 1 through 42. This exposure altered redox potential and increased oxidative stress in cerebellum. This exposure altered metabolites important in cellular methylation in cerebellum. This exposure promoted DNA hypomethylation in cerebellum. This exposure enhanced locomotor activity and exploratory behavior.

  17. TECHNICAL REPORT

    SciTech Connect (OSTI)

    ADAMS, RICHARD D., PhD.

    2011-04-06

    Cadmium selenide nanoparticles and nanoclusters were prepared and added to polymer solar cells to improve their photon capture ability. These nanoparticles did exhibit some beneficial effects on the photon conversion efficiencies of selected polymer solar cells. Ternary bulk heterojunction systems based on composites of methyl viologen-doped, CdSe nanoparticles blended with poly (3-hexothiopene) (P3HT) and 6, 6-phenyl C{sub 61}-butyric acid methyl ester (PCBM) were also tested. It was found that the devices with methyl viologen-doped CdSe nanoparticles do produce more photocurrent in a region surrounding the absorption peak of the particles (560 to 660nm) when compared to pristine P3HT:PCBM devices. Gold nanorods were also prepared and tested in some solar cells. These nanorods did produce a very small enhancement in photon absorbance, but the observed increase the photon conversion efficiency was not sufficient to make the effort worthwhile. Our goals were (1) to prepare cadmium sulfide and cadmium selenide clusters and nanoparticles to be tested as photon absorbers to enhance the photon conversion efficiency of polymer solar polymer solar cells and (2) to prepare gold and silver nanorods to be added to polymer solar cells to enhance their photon capture capability. The cadmium sulfide and cadmium selenide nanoparticles and some new nanoclusters were prepared. The cadmium selenide nanoparticles were also tested in solar cells and did exhibit some positive effects when they were combined with certain co-absorbing polymers. Due to solubility problems that were not solved in the available time, the new nanoclusters were not tested in solar cells. Ternary bulk heterojunction systems based on composites of methyl viologen doped, CdSe nanoparticles blended with poly (3-hexothiopene) (P3HT) and 6, 6-phenyl C61-butyric acid methyl ester (PCBM) have been examined in detail. The methyl viologen was added to promote charge separation of the initially formed excitons. It was found that the devices with CdSe produce more photocurrent in a region surrounding the absorption peak of the particles (560 to 660nm) when compared to a pristine P3HT:PCBM device. Gold nanorods were prepared and tested in some solar cells. These did show a very small enhancement in photon absorbance. However, the increase in short circuit current was negligible, which suggests that this antenna effect produces no significant increase in photocurrent generation. Efforts to synthesize niobium-doped zinc oxide nanoparticles for use in polymer solar polymer solar cells were also made. The nanoparticles were prepared, but they were not tested in the cells before the termination of the funding of the project.

  18. A SURVEY OF THE HIGH ORDER MULTIPLICITY OF NEARBY SOLAR-TYPE BINARY STARS WITH Robo-AO

    SciTech Connect (OSTI)

    Riddle, Reed L.; Bui, Khanh; Dekany, Richard G.; Kulkarni, Shrinivas; Tendulkar, Shriharsh P.; Tokovinin, Andrei; Mason, Brian D.; Hartkopf, William I.; Roberts, Lewis C. Jr.; Baranec, Christoph; Law, Nicholas M.; Burse, Mahesh P.; Das, H. K.; Punnadi, Sujit; Ramaprakash, A. N.

    2015-01-20

    We conducted a survey of nearby binary systems composed of main sequence stars of spectral types F and G in order to improve our understanding of the hierarchical nature of multiple star systems. Using Robo-AO, the first robotic adaptive optics instrument, we collected high angular resolution images with deep and well-defined detection limits in the Sloan Digital Sky Survey i' band. A total of 695 components belonging to 595 systems were observed. We prioritized observations of faint secondary components with separations over 10'' to quantify the still poorly constrained frequency of their subsystems. Of the 214 secondaries observed, 39 contain such subsystems; 19 of those were discovered with Robo-AO. The selection-corrected frequency of secondary subsystems with periods from 10{sup 3.5} to 10{sup 5}days is 0.12 0.03, the same as the frequency of such companions to the primary. Half of the secondary pairs belong to quadruple systems where the primary is also a close pair, showing that the presence of subsystems in both components of the outer binary is correlated. The relatively large abundance of 2+2 quadruple systems is a new finding, and will require more exploration of the formation mechanism of multiple star systems. We also targeted close binaries with periods less than 100 yr, searching for their distant tertiary components, and discovered 17 certain and 2 potential new triples. In a subsample of 241 close binaries, 71 have additional outer companions. The overall frequency of tertiary components is not enhanced, compared to all (non-binary) targets, but in the range of outer periods from 10{sup 6} to 10{sup 7.5}days (separations on the order of 500 AU), the frequency of tertiary components is 0.16 0.03, exceeding the frequency of similar systems among all targets (0.09) by almost a factor of two. Measurements of binary stars with Robo-AO allowed us to compute first orbits for 9 pairs and to improve orbits of another 11 pairs.

  19. Completion Report for Well ER-16-1 Corrective Action Unit 99: Rainier Mesa - Shoshone Mountain

    SciTech Connect (OSTI)

    NSTec Geology Services

    2006-12-01

    Well ER-16-1 was drilled for the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office, in support of the Nevada Environmental Restoration Project at the Nevada Test Site, Nye County, Nevada. The well was drilled in June and July 2005 as part of a hydrogeologic investigation program for the Rainier Mesa-Shoshone Mountain Corrective Action Unit, Number 99. The overall purpose of the well was to gather subsurface data to better characterize the hydrogeology of the Shoshone Mountain area, especially in the older Tertiary and pre-Tertiary strata. The main 46.99-centimeter hole was drilled to a depth of 702.9 meters and cased with 33.97-centimeter casing to 663.7 meters. The hole diameter was then decreased to 31.1 centimeters, and the well was drilled to total depth of 1,220.7 meters. A completion string set at the depth of 1,162.4 meters consisted of 13.97-centimeter stainless-steel casing, with one continuous slotted interval open to the lower carbonate aquifer. The fluid level in the borehole soon dropped, so the borehole was deepened in July 2006. To deepen the borehole, the slotted section was cemented and a 12.1-centimeter hole was drilled through the bottom of the completion string to the new total depth of 1,391.7 meters, which is 171.0 meters deeper than the original borehole. A string of 6.03-centimeter carbon-steel tubing with one continuous slotted interval at 1,361.8 to 1,381.4 meters, and open to the lower carbonate aquifer, was installed in the well with no gravel packing or cement, to serve as a monitoring string. Data gathered during and shortly after hole construction include composite drill cuttings samples collected every 3 meters (extra cuttings samples were collected from the Paleozoic rocks for paleontological analyses), sidewall core samples from 37 depths, various geophysical logs, and water level measurements. These data indicate that the well penetrated 646.8 meters of Tertiary volcanic rocks and 744.9 meters of Paleozoic dolomite, quartzite, shale, and limestone. Three weeks after the monitoring string was installed, the water level was tagged at the drill hole depth of 1,271.9 meters, which equates to an estimated elevation of 761.7 meters, accounting for the borehole angle.

  20. Magnetotelluric Data, Rainier Mesa/Shoshone Mountain, Nevada Test Site, Nevada.

    SciTech Connect (OSTI)

    Jackie M. Williams; Jay A. Sampson; Brian D. Rodriguez; and Theodore H. Asch.

    2006-11-03

    The United States Department of Energy (DOE) and the National Nuclear Security Administration (NNSA) at their Nevada Site Office (NSO) are addressing ground-water contamination resulting from historical underground nuclear testing through the Environmental Management (EM) program and, in particular, the Underground Test Area (UGTA) project. From 1951 to 1992, 828 underground nuclear tests were conducted at the Nevada Test Site northwest of Las Vegas. Most of these tests were conducted hundreds of feet above the ground-water table; however, more than 200 of the tests were near or within the water table. This underground testing was limited to specific areas of the Nevada Test Site, including Pahute Mesa, Rainier Mesa/Shoshone Mountain, Frenchman Flat, and Yucca Flat. One issue of concern is the nature of the somewhat poorly constrained pre-Tertiary geology, and its effects on ground-water flow. Ground-water modelers would like to know more about the hydrostratigraphy and geologic structure to support a hydrostratigraphic framework model that is under development for the Rainier Mesa/Shoshone Mountain Corrective Action Unit (Bechtel Nevada, 2006). During 2005, the U.S. Geological Survey (USGS), in cooperation with the DOE and NNSA-NSO, collected and processed data from twenty-six magnetotelluric (MT) and audio-magnetotelluric (AMT) sites at the Nevada Test Site. The 2005 data stations were located on and near Rainier Mesa and Shoshone Mountain to assist in characterizing the pre-Tertiary geology in those areas. These new stations extend the area of the hydrogeologic study previously conducted in Yucca Flat. This work will help refine what is known about the character, thickness, and lateral extent of pre-Tertiary confining units. In particular, a major goal has been to define the upper clastic confining unit (UCCU late Devonian to Mississippian-age siliciclastic rocks assigned to the Eleana Formation and Chainman Shale) from the Yucca Flat area and west towards Shoshone Mountain, to Buckboard Mesa in the south, and onto Rainier Mesa in the north. Subsequent interpretation will include a three-dimensional (3-D) character analysis and a two-dimensional (2-D) resistivity model. The purpose of this report is to release the MT sounding data for the twenty-six stations shown in figure 1. No interpretation of the data is included here.