National Library of Energy BETA

Sample records for methyl esters suitable

  1. 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.

  2. 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...

  3. Experimental and Computational Thermochemical Study of 2-and 3-Thiopheneacetic Acid Methyl Esters

    E-Print Network [OSTI]

    Chickos, James S.

    Experimental and Computational Thermochemical Study of 2- and 3-Thiopheneacetic Acid Methyl Esters an experimental and computational thermochemical study on the relative stabilities of 2- and 3-thiopheneacetic acid methyl esters. The enthalpies of combustion and vaporization were measured by a rotating

  4. Selective Monoarylation of Acetate Esters and Aryl Methyl Ketones Using Aryl Chlorides

    E-Print Network [OSTI]

    Biscoe, Mark R.

    Simple, efficient procedures for the monoarylation of acetate esters and aryl methyl ketones using aryl chlorides are presented. Previously, no general method was available to ensure the highly selective monoarylation of ...

  5. Labdanolic acid methyl ester (LAME) exerts anti-inflammatory effects through inhibition of TAK-1 activation

    SciTech Connect (OSTI)

    Cuadrado, Irene [Departamento de FarmacologŪa, Facultad de Farmacia, Universidad Complutense, Plaza Ramůn y Cajal s/n, 28040 Madrid (Spain)] [Departamento de FarmacologŪa, Facultad de Farmacia, Universidad Complutense, Plaza Ramůn y Cajal s/n, 28040 Madrid (Spain); Cidre, Florencia; Herranz, Sandra [Unidad de Inflamaciůn y CŠncer. Ńrea de BiologŪa Celular y Desarrollo. Centro Nacional de MicrobiologŪa, Instituto de Salud Carlos III, Madrid (Spain)] [Unidad de Inflamaciůn y CŠncer. Ńrea de BiologŪa Celular y Desarrollo. Centro Nacional de MicrobiologŪa, Instituto de Salud Carlos III, Madrid (Spain); Estevez-Braun, Ana [Instituto Universitario de Bio-OrgŠnica ďAntonio GonzŠlezĒ. Universidad de La Laguna. Avda. AstrofŪsico Fco. SŠnchez 2. 38206. La Laguna, Tenerife (Spain) [Instituto Universitario de Bio-OrgŠnica ďAntonio GonzŠlezĒ. Universidad de La Laguna. Avda. AstrofŪsico Fco. SŠnchez 2. 38206. La Laguna, Tenerife (Spain); Instituto Canario de Investigaciones del CŠncer (ICIC) (Spain); Heras, Beatriz de las, E-mail: lasheras@farm.ucm.es [Departamento de FarmacologŪa, Facultad de Farmacia, Universidad Complutense, Plaza Ramůn y Cajal s/n, 28040 Madrid (Spain); Hortelano, Sonsoles, E-mail: shortelano@isciii.es [Unidad de Inflamaciůn y CŠncer. Ńrea de BiologŪa Celular y Desarrollo. Centro Nacional de MicrobiologŪa, Instituto de Salud Carlos III, Madrid (Spain)] [Unidad de Inflamaciůn y CŠncer. Ńrea de BiologŪa Celular y Desarrollo. Centro Nacional de MicrobiologŪa, Instituto de Salud Carlos III, Madrid (Spain)

    2012-01-01

    Labdane derivatives obtained from the diterpenoid labdanediol suppressed NO and PGE{sub 2} production in LPS-stimulated RAW 264.7 macrophages. However, mechanisms involved in these inhibitory effects are not elucidated. In this study, we investigated the signaling pathways involved in the anti-inflammatory effects of labdanolic acid methyl ester (LAME) in peritoneal macrophages and examined its therapeutic effect in a mouse endotoxic shock model. LAME reduced the production of NO and PGE{sub 2} in LPS-activated macrophages. This effect involved the inhibition of NOS-2 and COX-2 gene expression, acting at the transcription level. Examination of the effects of the diterpene on NF-?B signaling showed that LAME inhibits the phosphorylation of I?B? and I?B?, preventing their degradation and the nuclear translocation of the NF-?B p65 subunit. Moreover, inhibition of MAPK signaling was also observed. A further experiment revealed that LAME inhibited the phosphorylation of transforming growth factor-? (TGF-?)-activated kinase 1 (TAK1), an upstream signaling molecule required for IKK and mitogen-activated protein kinases (MAPKs) activation. Inflammatory cytokines such as IL-6, TNF-? and IP-10 were downregulated in the presence of this compound after stimulation with LPS. Additionally, LAME also improved survival in a mouse model of endotoxemia and reduced the circulatory levels of cytokines (IL-6, TNF-?). In conclusion, these results indicate that labdane diterpene LAME significantly attenuates the pro-inflammatory response induced by LPS both in vivo and in vitro. Highlights: ? LAME reduced the production of NO and PGE{sub 2} in LPS-activated macrophages. ? IL-6, TNF-? and IP-10 were also inhibited by LAME. ? Inhibition of TAK-1 activation is the mechanism involved in this process. ? LAME improved survival in a mouse model of endotoxemia. ? LAME reduced the circulatory levels of cytokines (IL-6, TNF-?).

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

    Office of Energy Efficiency and Renewable Energy (EERE)

    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

  7. 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†Ľfor 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.ę†less

  8. 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.

  9. 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.

  10. 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.

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

    SciTech Connect (OSTI)

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

    2009-12-04

    Biodiesel is a mixture of long chain fatty acid methyl esters derived from fats and oils. This research study presents opposed-flow diffusion flame data for one large fatty acid methyl ester, methyl decanoate, and uses the experiments to validate an improved skeletal mechanism consisting of 648 species and 2998 reactions. The results 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.

  12. Detailed Chemical Kinetic Reaction Mechanism for Biodiesel Components Methyl Stearate and Methyl Oleate

    SciTech Connect (OSTI)

    Naik, C; Westbrook, C K; Herbinet, O; Pitz, W J; Mehl, M

    2010-01-22

    New chemical kinetic reaction mechanisms are developed for two of the five major components of biodiesel fuel, methyl stearate and methyl oleate. The mechanisms are produced using existing reaction classes and rules for reaction rates, with additional reaction classes to describe other reactions unique to methyl ester species. Mechanism capabilities were examined by computing fuel/air autoignition delay times and comparing the results with more conventional hydrocarbon fuels for which experimental results are available. Additional comparisons were carried out with measured results taken from jet-stirred reactor experiments for rapeseed methyl ester fuels. In both sets of computational tests, methyl oleate was found to be slightly less reactive than methyl stearate, and an explanation of this observation is made showing that the double bond in methyl oleate inhibits certain low temperature chain branching reaction pathways important in methyl stearate. The resulting detailed chemical kinetic reaction mechanism includes more approximately 3500 chemical species and more than 17,000 chemical reactions.

  13. The relative reactivity of formic esters with aromatic amines

    E-Print Network [OSTI]

    Markley, Max C.

    1922-01-01

    at 100į are as follows- Ester used Percent yield Methyl formate ' 3% Ethyl M 81 Propyl " 92 Butyl " 80 Sec,octyl n 10 ( 15 ) PROPYL P OREATE W ITH SEVERAL A MINES The next move was to secure data on the relative reactivity of the amines... at 100į are as follows- Ester used Percent yield Methyl formate ' 3% Ethyl M 81 Propyl " 92 Butyl " 80 Sec,octyl n 10 ( 15 ) PROPYL P OREATE W ITH SEVERAL A MINES The next move was to secure data on the relative reactivity of the amines...

  14. 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.

  15. Syntheses of 11 F-labeled carboxylic esters within a

    E-Print Network [OSTI]

    Pike, Victor W.

    and with reduced infusion rate. Radioactive methyl ester 4b was obtained from the reaction of 1 (10 mM) with 2b in 56% decay-corrected radiochemical yield (RCY) at an infusion rate of 10 mL min21 , and when the infusion rate was reduced to 1 mL min21 , the RCY increased to 88%. The synthesis of the non

  16. Method of making alkyl esters

    DOE Patents [OSTI]

    Elliott, Brian (Wheat Ridge, CO)

    2010-09-14

    Methods of making alkyl esters are described herein. The methods are capable of using raw, unprocessed, low-cost feedstocks and waste grease. Generally, the method involves converting a glyceride source to a fatty acid composition and esterifying the fatty acid composition to make alkyl esters. In an embodiment, a method of making alkyl esters comprises providing a glyceride source. The method further comprises converting the glyceride source to a fatty acid composition comprising free fatty acids and less than about 1% glyceride by mass. Moreover, the method comprises esterifying the fatty acid composition in the presence of a solid acid catalyst at a temperature ranging firm about 70.degree. C. to about 120.degree. C. to produce alkyl esters, such that at least 85% of the free fatty acids are converted to alkyl esters. The method also incorporates the use of packed bed reactors for glyceride conversion and/or fatty acid esterification to make alkyl esters.

  17. Cationic Hyperbranched Poly(amino ester): A Novel Class of DNA Condensing Molecule with Cationic

    E-Print Network [OSTI]

    Park, Jong-Sang

    one hydroxyl group, two methyl ester groups, and one tertiary amine group in the center Surface, Biodegradable Three-Dimensional Structure, and Tertiary Amine Groups in the Interior Yong. Tertiary amines in the interior of PEI or PAMAM are protonated at acidic endosomal pH, which disrupts

  18. Modeling of the oxidation of methyl esters--Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a

    E-Print Network [OSTI]

    Paris-Sud XI, Universitť de

    conditions, at a pressure of 1.06 bar and for a residence time of 1.5 s: more than 30 reaction products change and the impending scarcity of oil resources have led to increasing interest in shifting from toxic by-products such as aldehydes [5]. Therefore, a deeper understanding of oxygenate biofuel

  19. ORIGINAL ARTICLE -Aminolevulinic acid and its methyl ester induce

    E-Print Network [OSTI]

    LŁbbert, Hermann

    tumours, psoriasis and related conditions (MacCormack 2008). PpIX can be generated inside target cells

  20. Rheology of silicon carbide/vinyl ester nanocomposites

    E-Print Network [OSTI]

    Yong, Virginia; Hahn, H. Thomas

    2006-01-01

    based vinyl ester and 45 wt % styrene mono- mers. The hybridcould copolymerize with styrene monomers in the vinyl ester

  1. Variables affecting the yields of fatty esters from transesterified vegetable oils

    SciTech Connect (OSTI)

    Freedman, B.; Pryde, E.H.; Mounts, T.L.

    1984-10-01

    Transesterification reaction variables that affect yield and purity of the product esters from cottonseed, peanut, soybean and sunflower oils include molar ratio of alcohol to vegetable oil, type of catalyst (alkaline vs acidic), temperature and degree of refinement of the vegetable oil. With alkaline catalysts (either sodium hydroxide or methoxide), temperatures of 60 degrees C or higher, molar ratios of at least 6 to 1 and with fully refined oils, conversion to methyl, ethyl and butyl esters was essentially complete in 1 hr. At moderate temperatures (32 degrees C), vegetable oils were 99% transesterified in ca. 4 hr with an alkaline catalyst. Transesterification by acid catalysis was much slower than by alkali catalysis. Although the crude oils could be transesterified, ester yields were reduced because of gums and extraneous material present in the crude oils. 30 references.

  2. Methods of making alkyl esters

    DOE Patents [OSTI]

    Elliott, Brian (Wheat Ridge, CO)

    2010-08-03

    A method comprising contacting an alcohol, a feed comprising one or more glycerides and equal to or greater than 2 wt % of one or more free fatty acids, and a solid acid catalyst, a nanostructured polymer catalyst, or a sulfated zirconia catalyst in one or more reactors, and recovering from the one or more reactors an effluent comprising equal to or greater than about 75 wt % alkyl ester and equal to or less than about 5 wt % glyceride.

  3. Method of making a cyanate ester foam

    DOE Patents [OSTI]

    Celina, Mathias C.; Giron, Nicholas Henry

    2014-08-05

    A cyanate ester resin mixture with at least one cyanate ester resin, an isocyanate foaming resin, other co-curatives such as polyol or epoxy compounds, a surfactant, and a catalyst/water can react to form a foaming resin that can be cured at a temperature greater than 50.degree. C. to form a cyanate ester foam. The cyanate ester foam can be heated to a temperature greater than 400.degree. C. in a non-oxidative atmosphere to provide a carbonaceous char foam.

  4. UNCORRECTEDPROOF Please cite this article in press as: D. Lipkind et al., The vaporization enthalpies and vapor pressures of a series of unsaturated fatty acids methyl

    E-Print Network [OSTI]

    Chickos, James S.

    enthalpies and vapor pressures of a series of unsaturated fatty acids methyl esters by correlation gas≠8 Thermochimica Acta xxx (2007) xxx≠xxx The vaporization enthalpies and vapor pressures of a series of unsaturated- vonate (methyl Z 15-tetracosenoate) are evaluated at T = 298.15 and vapor pressures are evaluated over

  5. Process for the generation of .alpha., .beta.-unsaturated carboxylic acids and esters using niobium catalyst

    DOE Patents [OSTI]

    Gogate, Makarand Ratnakav (Durham, NC); Spivey, James Jerome (Cary, NC); Zoeller, Joseph Robert (Kingsport, TN)

    1999-01-01

    A process using a niobium catalyst includes the step of reacting an ester or carboxylic acid with oxygen and an alcohol in the presence a niobium catalyst to respectively produce an .alpha.,.beta.-unsaturated ester or carboxylic acid. Methanol may be used as the alcohol, and the ester or carboxylic acid may be passed over the niobium catalyst in a vapor stream containing oxygen and methanol. Alternatively, the process using a niobium catalyst may involve the step of reacting an ester and oxygen in the presence the niobium catalyst to produce an .alpha.,.beta.-unsaturated carboxylic acid. In this case the ester may be a methyl ester. In either case, niobium oxide may be used as the niobium catalyst with the niobium oxide being present on a support. The support may be an oxide selected from the group consisting of silicon oxide, aluminum oxide, titanium oxide and mixtures thereof. The catalyst may be formed by reacting niobium fluoride with the oxide serving as the support. The niobium catalyst may contain elemental niobium within the range of 1 wt % to 70 wt %, and more preferably within the range of 10 wt % to 30 wt %. The process may be operated at a temperature from 150 to 450.degree. C. and preferably from 250 to 350.degree. C. The process may be operated at a pressure from 0.1 to 15 atm. absolute and preferably from 0.5-5 atm. absolute. The flow rate of reactants may be from 10 to 10,000 L/kg.sub.(cat) /h, and preferably from 100 to 1,000 L/kg.sub.(cat) /h.

  6. Process for the preparation of an energetic nitrate ester

    DOE Patents [OSTI]

    Chavez, David E; Naud, Darren L; Hiskey, Michael A

    2013-12-17

    A process for the preparation of an energetic nitrate ester compound and related intermediates is provided.

  7. Synthesis of a new energetic nitrate ester

    SciTech Connect (OSTI)

    Chavez, David E

    2008-01-01

    Nitrate esters have been known as useful energetic materials since the discovery of nitroglycerin by Ascanio Sobrero in 1846. The development of methods to increase the safety and utility of nitroglycerin by Alfred Nobel led to the revolutionary improvement in the utility of nitroglycerin in explosive applications in the form of dynamite. Since then, many nitrate esters have been prepared and incorporated into military applications such as double-based propellants, detonators and as energetic plasticizers. Nitrate esters have also been shown to have vasodilatory effects in humans and thus have been studied and used for treatments of ailments such as angina. The mechanism of the biological response towards nitrate esters has been elucidated recently. Interestingly, many of the nitrate esters used for military purposes are liquids (ethylene glycol dinitrate, propylene glycol dinitrate, etc). Pentaerythritol tetranitrate (PETN) is one of the only solid nitrate esters, besides nitrocellulose, that is used in any application. Unfortunately, PETN melting point is above 100 {sup o}C, and thus must be pressed as a solid for detonator applications. A more practical material would be a melt-castable explosive, for potential simplification of manufacturing processes. Herein we describe the synthesis of a new energetic nitrate ester (1) that is a solid at ambient temperatures, has a melting point of 85-86 {sup o}C and has the highest density of any known nitrate ester composed only of carbon, hydrogen, nitrogen and oxygen. We also describe the chemical, thermal and sensitivity properties of 1 as well as some preliminary explosive performance data.

  8. Hydraulic and Habitat Suitability Analyses Technical Memorandum

    E-Print Network [OSTI]

    Appendix D Hydraulic and Habitat Suitability Analyses Technical Memorandum #12;COPYRIGHT DECEMBER Series 2 and Pond Series 3 Hydraulic and Habitat Suitability Analyses Prepared for Bureau of Reclamation HILL, INC. III Hydraulic and Habitat Suitability Analyses

  9. Fuel-Specific Influences on the Composition of Reaction Intermediates in Premixed Flames of Three C5H10O2 Ester Isomers

    SciTech Connect (OSTI)

    Yang, B.; Cool, T. A.; Westbrook, Charles K.; Hansen, N.; Kohse-Hoinghaus, K.

    2011-01-01

    Measurements of the composition of reaction intermediates in low-pressure premixed flat flames of three simple esters, the methyl butanoate (MB), methyl isobutanoate (MIB), and ethyl propanoate (EP) isomers of C{sub 5}H{sub 10}O{sub 2}, enable further refinement and validation of a detailed chemical reaction mechanism originally developed in modeling studies of similar flames of methyl formate, methyl acetate, ethyl formate, and ethyl acetate. Photoionization mass spectrometry (PIMS), using monochromated synchrotron radiation, reveals significant differences in the compositions of key reaction intermediates between flames of the MB, MIB, and EP isomers studied under identical flame conditions. Detailed kinetic modeling describes how these differences are related to molecular structures of each of these isomers, leading to unique fuel destruction pathways. Despite the simple structures of these small esters, they contain structural functional groups expected to account for fuel-specific effects observed in the combustion of practical biodiesel fuels. The good agreement between experimental measurements and detailed reaction mechanisms applicable to these simple esters demonstrates that major features of each flame can be predicted with reasonable accuracy by building a hierarchical reaction mechanism based on three factors: (1) unimolecular decomposition of the fuel, especially by complex bond fission; (2) H-atom abstraction reactions followed by ?-scission of the resulting radicals, leading to nearly all of the intermediate species observed in each flame; (3) the rates of H-atom abstraction reactions for each alkoxy or alkyl group (i.e., methoxy, ethoxy, methyl, ethyl, propyl) are effectively the same as in other ester fuels with the same structural groups.

  10. 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. (Berkeley, CA); Keasling, Jay D. (Berkeley, CA)

    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.

  11. ester Thurow says "what sounds sensible (export

    E-Print Network [OSTI]

    ester Thurow says "what sounds sensible (export more) when heard sepa- rately in each country becomes nonsense when aggregated around the world. No one can have more net exports unless someone else a strong relationship between exports and farm prosperity in the United States. From the early 1900s

  12. 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)

  13. Identification of process suitable diluent

    SciTech Connect (OSTI)

    Dean R. Peterman

    2014-01-01

    The Sigma Team for Minor Actinide Separation (STMAS) was formed within the USDOE Fuel Cycle Research and Development (FCRD) program in order to develop more efficient methods for the separation of americium and other minor actinides (MA) from used nuclear fuel. The development of processes for MA separations is driven by the potential benefits; reduced long-term radiotoxicty of waste placed in a geologic repository, reduced timeframe of waste storage, reduced repository heat load, the possibility of increased repository capacity, and increased utilization of energy potential of used nuclear fuel. The research conducted within the STMAS framework is focused upon the realization of significant simplifications to aqueous recycle processes proposed for MA separations. This report describes the research efforts focused upon the identification of a process suitable diluent for a flowsheet concept for the separation of MA which is based upon the dithiophosphinic acid (DPAH) extractants previously developed at the Idaho National Laboratory (INL).

  14. Biocrude suitability for petroleum refineries

    SciTech Connect (OSTI)

    Schmalzer, D.K.; Gaines, L.L.; Herzenberg, C.L.; Snider, M.A.

    1988-06-01

    Technologies are now being developed that could produce crude oil from biomass, making available an alternative fuel source as petroleum supplies dwindle and prices rise. If the existing infrastructure for transporting and refining petroleum could be used for biocrude, the transition from petroleum would be smoother and less costly. This report examines the suitability of the existing systems for transporting biocrude and processing it into gasoline. Available biomass production areas were identified and potential production was estimated. Production areas with the potential to supply conversion plants were then matched with transportation paths and refinery locations to minimize transportation costs. Technical requirements for treating biocrude were examined, based on its expected chemical composition and physical properties, and compared to existing refinery equipment and capacity. Environmental constraints were taken into account at each step. Although biomass-derived oils could be transported to refineries the existing refinery equipment is not optimal for upgrading these oils to a gasoline-grade product. Furthermore, existing hydrogen production capacity is grossly inadequate for upgrading substantial volumes of biocrude. Partial or total upgrading at conversion facilities or regional upgrading facilities is discussed briefly, but in-depth evaluation of such options is beyond the scope of this study. 82 refs., 26 figs., 35 tabs.

  15. An investigation in the hygrothermal degradation of an E- glass/vinyl-ester composite in humid and immersion environments

    E-Print Network [OSTI]

    Svetlik, Stephanie Laura

    2008-01-01

    Based Divynyl Ester Resin/Styrene Copolymers: CompositionBasted Divynyl Ester Resin/Styrene Copolymers: CompositionBased Divinyl Ester Resin/Styrene Copolymers: Composition

  16. Microbial production of wax esters from highly branched alkanes

    DOE Patents [OSTI]

    Bogan, William W.; Sullivan, Wendy R.; Paterek, James R.

    2005-02-01

    A microbial culture and method for producing wax esters using highly branched alkanes. In accordance with one embodiment, the highly branched alkane is squalane.

  17. 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 2Ė12 kJ?mol{sup ?1} range.

  18. 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.

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

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefield MunicipalTechnical Report: Achievements ofCOMPOSITION OF VAPORSSeries)SupportedDavidA - L

  20. A Continuous Homologation of Esters: An Efficient Telescoped ReductionĖOlefination Sequence

    E-Print Network [OSTI]

    Webb, Damien

    A continuous protocol for the two-carbon homologation of esters to ?,?-unsaturated esters is described. This multireactor homologation telescopes an ester reduction, phosphonate deprotonation, and HornerĖWadsworthĖEmmons ...

  1. Preparation of .alpha.,.beta.-unsaturated carboxylic acids and esters

    DOE Patents [OSTI]

    Gogate, Makarand Ratnakar (Durham, NC); Spivey, James Jerry (Cary, NC); Zoeller, Joseph Robert (Kingsport, TN)

    1998-01-01

    Disclosed is a process for the preparation of .alpha.,.beta.-unsaturated carboxylic acids and esters thereof which comprises contacting formaldehyde or a source of formaldehyde with a carboxylic acid, ester or anhydride in the presence of a catalyst comprising an oxide of niobium.

  2. Preparation of {alpha},{beta}-unsaturated carboxylic acids and esters

    DOE Patents [OSTI]

    Gogate, M.R.; Spivey, J.J.; Zoeller, J.R.

    1998-09-15

    Disclosed is a process for the preparation of {alpha},{beta}-unsaturated carboxylic acids and esters thereof which comprises contacting formaldehyde or a source of formaldehyde with a carboxylic acid, ester or anhydride in the presence of a catalyst comprising an oxide of niobium.

  3. 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.

  4. Methods of refining and producing dibasic esters and acids from natural oil feedstocks

    SciTech Connect (OSTI)

    Snead, Thomas E; Cohen, Steven A; Gildon, Demond L

    2015-04-07

    Methods are provided for refining natural oil feedstocks and producing dibasic esters and/or dibasic acids. The methods comprise reacting a terminal olefin with an internal olefin in the presence of a metathesis catalyst to form a dibasic ester and/or dibasic acid. In certain embodiments, the olefin esters are formed by reacting the feedstock in the presence of a metathesis catalyst under conditions sufficient to form a metathesized product comprising olefins and esters, separating the olefins from the esters in the metathesized product, and transesterifying the esters in the presence of an alcohol to form a transesterified product having olefin esters.

  5. Suitability of Varicose Veins for Endovenous Treatments

    SciTech Connect (OSTI)

    Goode, S. D.; Kuhan, G.; Altaf, N.; Simpson, R.; Beech, A.; Richards, T.; MacSweeney, S. T.; Braithwaite, B. D.

    2009-09-15

    The aim of the study was to assess the suitability of radiofrequency ablation (RFA), endovenous laser ablation (EVLA), and foam sclerotherapy (FS) for patients with symptomatic varicose veins (VVs). The study comprised 403 consecutive patients with symptomatic VVs. Data on 577 legs from 403 consecutive patients with symptomatic VVs were collected for the year 2006. Median patient age was 55 years (interquartile range 45-66), and 62% patients were women. A set of criteria based on duplex ultrasonography was used to select patients for each procedure. Great saphenous vein (GSV) reflux was present in 77% (446 of 577) of legs. Overall, 328 (73%) of the legs were suitable for at least one of the endovenous options. Of the 114 legs with recurrent GSV reflux disease, 83 (73%) were suitable to receive endovenous therapy. Patients with increasing age were less likely to be suitable for endovenous therapy (P = 0.03). Seventy-three percent of patients with VVs caused by GSV incompetence are suitable for endovenous therapy.

  6. Distribution of Phthalate Esters in a Marine Aquatic Food Web

    E-Print Network [OSTI]

    Gobas, Frank

    , and polyurethanes, and as nonplasticizers in products such as lubricating oils, automobile parts, paints, gluesNorthAmerican production of phthalate esters is approximately 0.65 million tonnes/year. The global production level is approximately 4.3 million tonnes/year (2, 3). DPEs have been detected throughout the world, particularly

  7. DIETARY UPTAKE AND BIOTRANSFORMATION OF PHTHALATE ESTERS IN

    E-Print Network [OSTI]

    Phthalate esters (PEs) are a group of organic chemicals used mainly as plasticizers. Due to their widespread that DPEs do not biomagnify in marine food webs. Biotransformation is believed to limit DPE bioaccumulation measured in the food, stomach, intestine, liver and muscle tissue over time. Results show that phthalate di

  8. Synthesis and Decarboxylative Coupling of Sulfonyl Acetic Esters

    E-Print Network [OSTI]

    Weaver, Jimmie Dean

    2010-04-28

    ________________________________ Paul Hanson ________________________________ Helena C. Malinakova April 20, 2010 Date Defended ii The Dissertation Committee for Jimmie D. Weaver certifies that this is the approved version of the following dissertation: Synthesis... ________________________________ Helena C. Malinakova April 20, 2010 Date Approved iii Abstract Jimmie D. Weaver Department of Chemistry, April 2010 University of Kansas The synthesis and palladium-catalyzed decarboxylative allylation (DCA) of ?- sulfonyl allyl esters...

  9. SOLAR ENERGY FOR ACADEMIC INSTITUTIONS Solar Suitability Assessment

    E-Print Network [OSTI]

    Brownstone, Rob

    SOLAR ENERGY FOR ACADEMIC INSTITUTIONS Solar Suitability Assessment of Dalhousie University.................................................................................................. 2 2.2 Solar Radiation Data for Calculating Solar Energy Resource .................... 3 3 Campus.1 Evaluation of Suitability for Solar Energy Generation................................ 12 4.2 Solar

  10. 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.

  11. A determination of the heats of combustion of the five-carbon fatty acids and their methyl and ethyl esters

    E-Print Network [OSTI]

    Gilby, Ralph F

    1952-01-01

    in the sehcsl dateasdmtdccw ef ths haste of oosbccstico ef tks sccLds scsL ef their ostace? In this wsy& ~ of the oonstsnt errorsi ssoh sec hest incest frcsc stirring? the hest fer elaotrio cnrrent ~sry te Tbs eaayls ef hsnseio scdd to bs cceed wss weighed...

  12. 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.

  13. Viscoelastic Properties and Phase Behavior of 12-tert-Butyl Ester Dendrimer/Poly(methyl methacrylate) Blends

    E-Print Network [OSTI]

    Harmon, Julie P.

    with bis- phenol A polycarbonate (PC), resulting in an in- crease in free volume with increasing dendrimer hyperbranched polyester/bisphenol A PC blends with respect to pure PC. Studies were conducted by Carr et al.24

  14. Agronomic Suitability of Bioenergy Crops in Mississippi

    SciTech Connect (OSTI)

    Lemus, Rocky; Baldwin, Brian; Lang, David

    2011-10-01

    In Mississippi, some questions need to be answered about bioenergy crops: how much suitable land is available? How much material can that land produce? Which production systems work best in which scenarios? What levels of inputs will be required for productivity and longterm sustainability? How will the crops reach the market? What kinds of infrastructure will be necessary to make that happen? This publication helps answer these questions: √?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬Ę√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬Ę Which areas in the state are best for bioenergy crop production? √?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬Ę√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬Ę How much could these areas produce sustainably? √?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬Ę√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬Ę How can bioenergy crops impact carbon sequestration and carbon credits? √?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬Ę√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬Ę How will these crops affect fertilizer use and water quality? √?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬Ę√?¬?√?¬?√?¬?√?¬?√?¬?√?¬?√?¬

  15. Monodisperse SiC/vinyl ester nanocomposites: Dispersant formulation, synthesis, and characterization

    E-Print Network [OSTI]

    Yong, Virginia; Hahn, H. Thomas

    2011-01-01

    polyester copolymerizes with styrene monomers in the vinylbased vinyl ester and 45 wt% styrene monomers. The hybridof methacrylate and styrene. The absorption band in the

  16. 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 įC). 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 įC yields formate salts, 140 įC 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.

  17. The methylated component of the Neurospora crassa genome†

    E-Print Network [OSTI]

    Selker, Eric U; Tountas, Nikolaos A; Cross, Sally H; Margolin, Brian S; Murphy, Jonathan G; Bird, Adrian P; Freitag, Michael

    2003-04-24

    Cytosine methylation is common, but not ubiquitous, in eukaryotes. Mammals (1) and the fungus Neurospora crassa (2,3) have about 2Ė3% of cytosines methylated. In mammals, methylation is almost exclusively in the ...

  18. Assessing Global Terrestrial Sources of Methyl Halides - Ozone Regulating Gases†

    E-Print Network [OSTI]

    Gancarczyk, Maciej

    2010-11-24

    Methyl bromide (CH3Br) and methyl chloride (CH3Cl) play significant roles in the depletion of the stratospheric ozone layer. The vast portion of methyl halide sources and sinks sources and sinks are natural in origin. The ...

  19. High elastic modulus polymer electrolytes suitable for preventing...

    Office of Scientific and Technical Information (OSTI)

    High elastic modulus polymer electrolytes suitable for preventing thermal runaway in lithium batteries Citation Details In-Document Search Title: High elastic modulus polymer...

  20. Transesterification process to manufacture ethyl ester of rape oil

    SciTech Connect (OSTI)

    Korus, R.A.; Hoffman, D.S.; Bam, N.; Peterson, C.L.; Drown, D.C.

    1993-12-31

    A process for the production of the ethyl ester of winter rape [EEWR] for use as a biodiesel fuel has been studied. The essential part of the process is the transesterification of rape oil with ethanol, in the presence of a catalyst, to yield the ethyl ester of rape oil as a product and glycerin as a by-product. Experiments have been performed to determine the optimum conditions for the preparation of EEWR. The process variables were: (1) temperature, (2) catalyst, (3) rate of agitation, (4) water content of the alcohol used, and (5) the amount of excess alcohol used. The optimum conditions were: (1) room temperature, (2) 0.5% sodium methoxide or 1% potassium hydroxide catalyst by weight of rapeseed oil, (3) extremely vigorous agitation with some splashing during the initial phase of the reaction and agitation was not necessary after the reaction mixture became homogeneous, (4) absolute ethanol was necessary for high conversion, and (5) 50% excess ethanol with NaOCH{sub 3} or 100% excess with KOH gave a maximum conversion. Viscosity, cloud point and pour point of the EEWR were measured. A preliminary break-even cost for the commercial production of EEWR was found to be $0.55/liter [$2.08/US gallon].

  1. An investigation in the hygrothermal degradation of an E- glass/vinyl-ester composite in humid and immersion environments

    E-Print Network [OSTI]

    Svetlik, Stephanie Laura

    2008-01-01

    of polyethertriamine-cured bisphenol-A-diglycidyl etherstructure of epoxy based bisphenol-A vinyl ester resin [here, an epoxy based bisphenol-A vinyl-ester, may have a

  2. Analysis of Land Suitable for Algae State of Hawaii

    E-Print Network [OSTI]

    Analysis of Land Suitable for Algae Production State of Hawaii Prepared for the U.S. Department agency thereof. #12;Analysis of Land Suitable for Algae Production State of Hawaii Prepared by Mele University of Hawaii at Manoa August 2011 #12;i Executive Summary Algae are considered to be a viable crop

  3. Suitability, Position Sensitivity Designations, and Related Personnel Matters

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1989-12-19

    The order identifies the interrelationships among suitability, security and access authorizations; to establish guidance and policy regarding position sensitivity designations, certain background investigations, and suitability determinations; and to establish the policies and procedures regarding waivers of pre-employment investigations. Chg 1, dated 7-8-92 supersedes DOE 3731.1.

  4. Identification of the Wax Ester Synthase/Acyl-Coenzyme A:Diacylglycerol Acyltransferase WSD1 Required for

    E-Print Network [OSTI]

    Kunst, Ljerka

    Identification of the Wax Ester Synthase/Acyl-Coenzyme A:Diacylglycerol Acyltransferase WSD1 Required for Stem Wax Ester Biosynthesis in Arabidopsis1,2[W][OA] Fengling Li, Xuemin Wu, Patricia Lam Columbia, Canada V6T 1Z1 (R.J.) Wax esters are neutral lipids composed of aliphatic alcohols and acids

  5. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters

    SciTech Connect (OSTI)

    Seo, D. M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.

    2014-11-13

    Only limited information is available regarding the manner in which cyclic carbonate and ester solvents coordinate Li+ cations in electrolyte solutions for lithium batteries. One approach to gleaning significant insight into these interactions is to examine crystalline solvate structures. To this end, eight new solvate structures are reported with ethylene carbonate, ?-butyrolactone and ?-valerolactone: (EC)3:LiClO4, (EC)2:LiClO4, (EC)2:LiBF4, (GBL)4:LiPF6, (GBL)1:LiClO4, (GVL)1:LiClO4, (GBL)1:LiBF4 and (GBL)1:LiCF3SO3. The crystal structure of (EC)1:LiCF3SO3 is also re-reported for comparison. These structures enable the factors which govern the manner in which the ions are coordinated and the ion/solvent packingóin the solid-stateóto be scrutinized in detail.

  6. Dnmt1-Independent CG Methylation Contributes to Nucleosome Positioning

    E-Print Network [OSTI]

    , 2010). Methylation by chromomethylases in plants and green algae occurs at 50 -CNG-30 sites (treated

  7. Optimization and global minimization methods suitable for neural networks

    E-Print Network [OSTI]

    Neumaier, Arnold

    Optimization and global minimization methods suitable for neural networks Wlodzislaw Duch and Jerzy Louis Pasteur, Blvd. Sebastien Brant, 67400 Illkirch, France Abstract Neural networks are usually and statistical methods in many applications. For neural networks with predetermined structure, for example

  8. De novo DNA methylation activity of METHYLTRANSFERASE 1 (MET1) partially restores body methylation in Arabidopsis

    E-Print Network [OSTI]

    Meyer, Peter

    targets cytosine residues in all sequence contexts (CG, CNG and CNN), and is controlled by three DNA methylation (RdDM) pathway (Xie et al., 2004). CNG methylation is predominantly controlled by the plant of genes accumulated H3K9me2 and CNG marks, which reflects the interplay between KYP and CMT3 (Inagaki et

  9. Growing season methyl bromide and methyl chloride fluxes at a sub-arctic wetland in Sweden†

    E-Print Network [OSTI]

    Hardacre, Catherine J.; Blei, Emanuel; Heal, Mathew R

    2009-01-01

    Methyl bromide and methyl chloride fluxes were measured at several sites in a sub-arctic wetland near Abisko, Sweden (68į28?N 18į49?E) throughout the 2008 growing season. Averaged over 92 flux measurements the sub-arctic ...

  10. 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.

  11. Plug repairs of marine glass fiber / vinyl ester laminates subjected to uniaxial tension

    E-Print Network [OSTI]

    Michelis, Alexandros

    2009-01-01

    Glass fiber/vinyl ester composite laminates are currently being used and proposed for the hulls, bulkheads, and superstructures of large ships. This thesis examines the effectiveness of the repair of such laminates using ...

  12. Suitability for 3D Printed Parts for Laboratory Use

    SciTech Connect (OSTI)

    Zwicker, Andrew P.; Bloom, Josh; Albertson, Robert; Gershman, Sophia

    2014-08-01

    3D printing has become popular for a variety of users, from industrial to the home hobbyist, to scientists and engineers interested in producing their own laboratory equipment. In order to determine the suitability of 3D printed parts for our plasma physics laboratory, we measured the accuracy, strength, vacuum compatibility, and electrical properties of pieces printed in plastic. The flexibility of rapidly creating custom parts has led to the 3D printer becoming an invaluable resource in our laboratory and is equally suitable for producing equipment for advanced undergraduate laboratories.

  13. Analysis of Land Suitable for Algae State of Hawaii

    E-Print Network [OSTI]

    Analysis of Land Suitable for Algae Production State of Hawaii Prepared by Mele Chillingworth Scott of Hawaii at Manoa August 2011 #12;i Executive Summary Algae are considered to be a viable crop for biofuel for biofuels has increased interest in growing algae in Hawaii for biofuels. An analysis of algae production

  14. Analysis of Land Suitable for Algae State of Hawaii

    E-Print Network [OSTI]

    Analysis of Land Suitable for Algae Production State of Hawaii Prepared for the U.S. Department of Energy Office of Electricity Delivery and Energy Reliability Under Award No. DE-FC26-06NT42847 Hawai`i on Bioenergy Analyses By the Hawai`i Natural Energy Institute School of Ocean and Earth Science and Technology

  15. Broadband municipal optical networks in Greece: A suitable business model

    E-Print Network [OSTI]

    Broadband municipal optical networks in Greece: A suitable business model Christos Bouras a, Greece b Research Academic Computer Technology Institute, N. Kazanzaki, University of Patras Campus, GR-26500 Rio, Greece c Department of Informatics, Aristotle University of Thessaloniki, PO Box 114, GR

  16. Structural Interactions within Lithium Salt Solvates: Acyclic Carbonates and Esters

    SciTech Connect (OSTI)

    Afroz, Taliman; Seo, D. M.; Han, Sang D.; Boyle, Paul D.; Henderson, Wesley A.

    2015-03-06

    Solvate crystal structures serve as useful models for the molecular-level interactions within the diverse solvates present in liquid electrolytes. Although acyclic carbonate solvents are widely used for Li-ion battery electrolytes, only three solvate crystal structures with lithium salts are known for these and related solvents. The present work, therefore, reports six lithium salt solvate structures with dimethyl and diethyl carbonate: (DMC)2:LiPF6, (DMC)1:LiCF3SO3, (DMC)1/4:LiBF4, (DEC)2:LiClO4, (DEC)1:LiClO4 and (DEC)1:LiCF3SO3 and four with the structurally related methyl and ethyl acetate: (MA)2:LiClO4, (MA)1:LiBF4, (EA)1:LiClO4 and (EA)1:LiBF4.

  17. Suitability versus fidelity for rating single-photon guns

    E-Print Network [OSTI]

    George M. Hockney; Pieter Kok; Jonathan P. Dowling

    2003-04-01

    The creation of specified quantum states is important for most, if not all, applications in quantum computation and communication. The quality of the state preparation is therefore an essential ingredient in any assessment of a quantum-state gun. We show that the fidelity, under the standard definitions is not sufficient to assess quantum sources, and we propose a new measure of suitability that necessarily depends on the application for the source. We consider the performance of single-photon guns in the context of quantum key distribution (QKD) and linear optical quantum computation. Single-photon sources for QKD need radically different properties than sources for quantum computing. Furthermore, the suitability for single-photon guns is discussed explicitly in terms of experimentally accessible criteria.

  18. Corrosion resistant coatings suitable for elevated temperature application

    DOE Patents [OSTI]

    Chan, Kwai S. (San Antonio, TX); Cheruvu, Narayana Sastry (San Antonio, TX); Liang, Wuwei (Austin, TX)

    2012-07-31

    The present invention relates to corrosion resistance coatings suitable for elevated temperature applications, which employ compositions of iron (Fe), chromium (Cr), nickel (Ni) and/or aluminum (Al). The compositions may be configured to regulate the diffusion of metals between a coating and a substrate, which may then influence coating performance, via the formation of an inter-diffusion barrier layer. The inter-diffusion barrier layer may comprise a face-centered cubic phase.

  19. DNA Methylation as a Biomarker for Preeclampsia

    SciTech Connect (OSTI)

    Anderson, Cindy M.; Ralph, Jody L.; Wright, Michelle L.; Linggi, Bryan E.; Ohm, Joyce E.

    2014-10-01

    Background: Preeclampsia contributes significantly to pregnancy-associated morbidity and mortality as well as future risk of cardiovascular disease in mother and offspring, and preeclampsia in offspring. The lack of reliable methods for early detection limits the opportunities for prevention, diagnosis, and timely treatment. Purpose: The purpose of this study was to explore distinct DNA methylation patterns associated with preeclampsia in both maternal cells and fetal-derived tissue that represent potential biomarkers to predict future preeclampsia and inheritance in children. Method: A convenience sample of nulliparous women (N = 55) in the first trimester of pregnancy was recruited for this prospective study. Genome-wide DNA methylation was quantified in first-trimester maternal peripheral white blood cells and placental chorionic tissue from normotensive women and those with preeclampsia (n = 6/group). Results: Late-onset preeclampsia developed in 12.7% of women. Significant differences in DNA methylation were identified in 207 individual linked cytosine and guanine (CpG) sites in maternal white blood cells collected in the first trimester (132 sites with gain and 75 sites with loss of methylation), which were common to approximately 75% of the differentially methylated CpG sites identified in chorionic tissue of fetal origin. Conclusion: This study is the first to identify maternal epigenetic targets and common targets in fetal-derived tissue that represent putative biomarkers for early detection and heritable risk of preeclampsia. Findings may pave the way for diagnosis of preeclampsia prior to its clinical presentation and acute damaging effects, and the potential for prevention of the detrimental long-term sequelae.

  20. Suitable thin shell structural configurations for earth sheltered housing

    SciTech Connect (OSTI)

    Behr, R.A.

    1982-01-01

    An earth sheltered house is one whose building envelope is substantially in contact with soil, without necessarily being totally underground. Hence, it can provide the commonly sought attributes of a residence, including natural light, exterior views, and curb appeal. It also exhibits strong energy performance, lower maintenance, and good storm protection. Despite the longer-term life cycle cost advantages of earth sheltered buildings, a current hindrance to the mass market acceptance of earth sheltered housing is higher initial cost which is caused, in part, by the inability of conventional rectilinear structural systems to support economically the massive soil loads imposed on earth covered buildings. In deference to the premise that technical suitability is no guarantee of innovation acceptance in the housing industry, a survey of the nontechnical impediments to housing innovation was first undertaken. These impediment areas include: market inhibition; builder trepidations; industry constraints; and financing problems. As a result of an architectural design program written under contract for the Department of Energy, it was possible to include a rather extensive (but necessarily subjective) evaluation of the architectural potential for earth sheltered shell structures. Engineering suitability dimensions included structural effectiveness, constructability, and economy of construction for single- and double-curvature thin shell structures. Overall engineering suitability and architectural potential are deemed to be adequate, although non-engineering impediments to housing innovation appear to raise significant questions regarding the potential for mass market implementation of thin shell stuctures in earth sheltered housing.

  1. Lubricant return comparison of naphthenic and polyol ester oils in R-134a household refrigeration applications

    SciTech Connect (OSTI)

    Reyes-Gavilan, J.L.; Flak, G.T.; Tritcak, T.R.

    1996-12-31

    This paper presents mineral oils and polyol esters as possible lubricant options for domestic refrigeration applications employing R-134a as the heat exchange fluid. A performance comparison, based on data presented, is made between the mineral oils and polyol esters evaluated. To more closely examine lubricant return with N-70 and R-134a and ensure that the oil is not contributing to any deterioration in efficiency due to its accumulation in evaporators, a special test unit was designed with a difficult oil return configuration and its performance carefully monitored. Oil return with a hydrofluorocarbon-miscible polyol ester, R-133-O was also evaluated in this setup and its performance results compared to those obtained with the naphthenic refrigeration oil.

  2. Viscosity of aqueous and cyanate ester suspensions containing alumina nanoparticles

    SciTech Connect (OSTI)

    Lawler, Katherine

    2009-08-05

    The viscosities of both aqueous and cyanate ester monomer (BECy) based suspensions of alumina nanoparticle were studied. The applications for these suspensions are different: aqueous suspensions of alumina nanoparticles are used in the production of technical ceramics made by slip casting or tape casting, and the BECy based suspensions are being developed for use in an injection-type composite repair resin. In the case of aqueous suspensions, it is advantageous to achieve a high solids content with low viscosity in order to produce a high quality product. The addition of a dispersant is useful so that higher solids content suspensions can be used with lower viscosities. For BECy suspensions, the addition of nanoparticles to the BECy resin is expected to enhance the mechanical properties of the cured composite. The addition of saccharides to aqueous suspensions leads to viscosity reduction. Through DSC measurements it was found that the saccharide molecules formed a solution with water and this resulted in lowering the melting temperature of the free water according to classic freezing point depression. Saccharides also lowered the melting temperature of the bound water, but this followed a different rule. The shear thinning and melting behaviors of the suspensions were used to develop a model based on fractal-type agglomeration. It is believed that the structure of the particle flocs in these suspensions changes with the addition of saccharides which leads to the resultant viscosity decrease. The viscosity of the BECy suspensions increased with solids content, and the viscosity increase was greater than predicted by the classical Einstein equation for dilute suspensions. Instead, the Mooney equation fits the viscosity behavior well from 0-20 vol% solids. The viscosity reduction achieved at high particle loadings by the addition of benzoic acid was also investigated by NMR. It appears that the benzoic acid interacts with the surface of the alumina particle which may be the cause of the viscosity reduction. The flow behavior of alumina particles in water and BECy is markedly different. Aqueous alumina suspensions are shear thinning at all alumina loadings and capable of 50 vol% loading before losing fluidity whereas BECy/alumina suspensions show Newtonian behavior up to 5 vol%, and above 5 vol% show shear thinning at all shear rates. Highly loaded suspensions (i.e. 20vol% alumina) exhibit shear thinning at low and moderate shear rates and shear thickening at higher shear rates. The maximum particle loading for a fluid suspension, in this case, appears to be about 20 vol%. The difference in the viscosity of these suspensions must be related to the solvent-particle interactions for each system. The reason is not exactly known, but there are some notable differences between BECy and water. Water molecules are {approx}0.28 nm in length and highly hydrogen bonded with a low viscosity (1 mPa's) whereas in the cyanate ester (BECy) system, the solvent molecule is about 1.2 nm, in the largest dimension, with surfaces of varied charge distribution throughout the molecule. The viscosity of the monomer is also reasonably low for organic polymer precursor, about 7 mPa's. Nanoparticles in water tend to agglomerate and form flocs which are broken with the shear force applied during viscosity measurement. The particle-particle interaction is very important in this system. In BECy, the particles appear to be well dispersed and not as interactive. The solvent-particle interaction appears to be most important. It is not known exactly how the alumina particles interact with the monomer, but NMR suggests hydrogen bonding. These hydrogen bonds between the particle and monomer could very well affect the viscosity. A conclusion that can be reached in this work is that the presence of hydroxyl groups on the surface of the alumina particles is significant and seems to affect the interactions between other particles and the solvent. Thus, the hydrogen bonding between particles, particle/additive and/or particle/solvent dictates the behavior of nanos

  3. Modified SIMD architecture suitable for single-chip implementation

    E-Print Network [OSTI]

    Junichiro Makino

    2005-09-11

    We describe a modified SIMD architecture suitable for single-chip integration of a large number of processing elements, such as 1,000 or more. Important differences from traditional SIMD designs are: a) The size of the memory per processing elements is kept small. b) The processors are organized into groups, each with a small buffer memory. Reduction operation over the groups is done in hardware. The first change allows us to integrate a very large number of processing elements into a single chip. The second change allows us to achieve a close-to-peak performance for many scientific applications like particle-based simulations and dense-matrix operations.

  4. The UV/H2O2 advanced oxidation process in UV disinfection units : removal of selected phosphate esters by hydroxyl radical

    E-Print Network [OSTI]

    Machairas, Alexandros, 1980-

    2004-01-01

    In this work, the issue of how to remove phosphate esters from drinking water is examined. From the various treatment processes available, the oxidation of phosphate esters through hydroxyl radical generated by the UV/H202 ...

  5. Synthesis and characterization of poly (amino ester) for slow biodegradable gene delivery vector

    E-Print Network [OSTI]

    Park, Jong-Sang

    tertiary amine-linkage and abundant surface hydroxyl groups that enable good 0968-0896/$ - see front matter to include inner tertiary amines and outer primary amines. Self-assembly with DNA resulted in the production of serum. The polymers showed a relatively slow degradability for an amine-containing ester polymer

  6. Fuel and lubricant additives from acid treated mixtures of vegetable oil derived amides and esters

    SciTech Connect (OSTI)

    Bonazza, B.R.; Devault, A.N.

    1981-05-26

    Vegetable oils such as corn oil, peanut oil, and soy oil are reacted with polyamines to form a mixture containing amides, imides, half esters, and glycerol with subsequent treatment with a strong acid such as sulfonic acid to produce a product mix that has good detergent properties in fuels and lubricants.

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

    Office of Scientific and Technical Information (OSTI)

    LIFE SCIENCES; ARGININE; CARCINOGENS; CHROMIUM; DNA DAMAGES; GENES; HUMAN POPULATIONS; LUNGS; LYSINE; METHYLATION; NEOPLASMS; OCCUPATIONAL EXPOSURE; PROMOTERS Word Cloud More Like...

  8. Investigation of the Atmospheric Ozone Impacts of Methyl Iodide

    E-Print Network [OSTI]

    Carter, W P L

    2007-01-01

    comparable to that for ethane. It is concluded that methylmethyl iodide and ethane. 32 Table A-of methyl iodide and ethane in the atmospheric reactivity

  9. Binary total pressure measurements for methanol with 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-1-butanol, 2-methyl-2-butanol, 3-methyl-1-butanol, and 3-methyl-2-butanol at 313.15 K

    SciTech Connect (OSTI)

    Barton, D.P.; Bhethanabotla, V.R.; Campbell, S.W. [Univ. of South Florida, Tampa, FL (United States). Dept. of Chemical Engineering] [Univ. of South Florida, Tampa, FL (United States). Dept. of Chemical Engineering

    1996-09-01

    Total pressure measurements at 313.15 K are reported for binary systems of methanol with each of seven pentanol isomers: 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-1-butanol, 2-methyl-2-butanol, 3-methyl-1-butanol, and 3-methyl-2-butanol. The results were obtained using a Van Ness apparatus and were fitted to the four-suffix Margules equation using Barker`s method. The four-suffix Margules equation represents the data to within an average of approximately 0.02 kPa.

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

    Office of Scientific and Technical Information (OSTI)

    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...

  11. RNAi, DRD1, and Histone Methylation Actively Target Developmentally Important Non-CG DNA

    E-Print Network [OSTI]

    Jacobsen, Steve

    cluster [8]. DNA methylation is found at cytosines in three different sequence contexts, CG, CNG (where N signals to continually target regions of DNA for methylation [12]. In the case of CNG methylation

  12. On the Suitability of MPI as a PGAS Runtime

    SciTech Connect (OSTI)

    Daily, Jeffrey A.; Vishnu, Abhinav; Palmer, Bruce J.; van Dam, Hubertus JJ; Kerbyson, Darren J.

    2014-12-18

    Partitioned Global Address Space (PGAS) models are emerging as a popular alternative to MPI models for designing scalable applications. At the same time, MPI remains a ubiquitous communication subsystem due to its standardization, high performance, and availability on leading platforms. In this paper, we explore the suitability of using MPI as a scalable PGAS communication subsystem. We focus on the Remote Memory Access (RMA) communication in PGAS models which typically includes {\\em get, put,} and {\\em atomic memory operations}. We perform an in-depth exploration of design alternatives based on MPI. These alternatives include using a semantically-matching interface such as MPI-RMA, as well as not-so-intuitive interfaces such as MPI two-sided with a combination of multi-threading and dynamic process management. With an in-depth exploration of these alternatives and their shortcomings, we propose a novel design which is facilitated by the data-centric view in PGAS models. This design leverages a combination of highly tuned MPI two-sided semantics and an automatic, user-transparent split of MPI communicators to provide asynchronous progress. We implement the asynchronous progress ranks approach and other approaches within the Communication Runtime for Exascale which is a communication subsystem for Global Arrays. Our performance evaluation spans pure communication benchmarks, graph community detection and sparse matrix-vector multiplication kernels, and a computational chemistry application. The utility of our proposed PR-based approach is demonstrated by a 2.17x speed-up on 1008 processors over the other MPI-based designs.

  13. Deep Eutectic Salt Formulations Suitable as Advanced Heat Transfer Fluids

    SciTech Connect (OSTI)

    Raade, Justin; Roark, Thomas; Vaughn, John; Bradshaw, Robert

    2013-07-22

    Concentrating solar power (CSP) facilities are comprised of many miles of fluid-filled pipes arranged in large grids with reflective mirrors used to capture radiation from the sun. Solar radiation heats the fluid which is used to produce steam necessary to power large electricity generation turbines. Currently, organic, oil-based fluid in the pipes has a maximum temperature threshold of 400 įC, allowing for the production of electricity at approximately 15 cents per kilowatt hour. The DOE hopes to foster the development of an advanced heat transfer fluid that can operate within higher temperature ranges. The new heat transfer fluid, when used with other advanced technologies, could significantly decrease solar electricity cost. Lower costs would make solar thermal electricity competitive with gas and coal and would offer a clean, renewable source of energy. Molten salts exhibit many desirable heat transfer qualities within the range of the project objectives. Halotechnics developed advanced heat transfer fluids (HTFs) for application in solar thermal power generation. This project focused on complex mixtures of inorganic salts that exhibited a high thermal stability, a low melting point, and other favorable characteristics. A high-throughput combinatorial research and development program was conducted in order to achieve the project objective. Over 19,000 candidate formulations were screened. The workflow developed to screen various chemical systems to discover salt formulations led to mixtures suitable for use as HTFs in both parabolic trough and heliostat CSP plants. Furthermore, salt mixtures which will not interfere with fertilizer based nitrates were discovered. In addition for use in CSP, the discovered salt mixtures can be applied to electricity storage, heat treatment of alloys and other industrial processes.

  14. Evaluation of bisphenol E cyanate ester for the resin-injection repair of advanced composites

    SciTech Connect (OSTI)

    Wilber Yaote Lio

    2009-12-19

    This thesis is a compilation of a general introduction and literature review that ties together the subsequent chapters which consist of two journal articles that have yet to be submitted for publication. The overall topic relates to the evaluation and application of a new class of cyanate ester resin with unique properties that lend it applicable to use as a resin for injection repair of high glass transition temperature polymer matrix composites. The first article (Chapter 2) details the evaluation and optimization of adhesive properties of this cyanate ester and alumina nanocomposites under different conditions. The second article (Chapter 3) describes the development and evaluation of an injection repair system for repairing delaminations in polymer matrix composites.

  15. Z .Comparative Biochemistry and Physiology Part B 128 2001 575 595 Novel wax esters and hydrocarbons in the cuticular

    E-Print Network [OSTI]

    Gordon, Deborah

    and hydrocarbons in the cuticular surface lipids of the red harvester ant, Pogonomyrmex barbatus Dennis R. Nelsona, hydrocarbons. The wax esters ranged in carbon number from C19 to C31 and consisted of esters of both odd. The hydrocarbons consisted of: n-alkanes, C23 to C33; odd-numbered n-alkenes, C27 to C35; and the major components

  16. Nanoscale array structures suitable for surface enhanced raman scattering and methods related thereto

    DOE Patents [OSTI]

    Bond, Tiziana C.; Miles, Robin; Davidson, James C.; Liu, Gang Logan

    2014-07-22

    Methods for fabricating nanoscale array structures suitable for surface enhanced Raman scattering, structures thus obtained, and methods to characterize the nanoscale array structures suitable for surface enhanced Raman scattering. Nanoscale array structures may comprise nanotrees, nanorecesses and tapered nanopillars.

  17. Elucidate the mechanism(s) of Hg uptake in methylating bacteria and effects on Hg methylation in nature.

    E-Print Network [OSTI]

    Post, Wilfred M.

    Objective ∑ Elucidate the mechanism(s) of Hg uptake in methylating bacteria and effects on Hg, suggesting a possible detoxification mechanism for the formation and export of methylmercury. 1 BER Overview A New Mechanism of Mercury Uptake and Methylation in Anaerobic Bacteria Contact: Jeffra Schaefer

  18. Supporting Information Microbial methylation of mercury sulfide nanoparticles

    E-Print Network [OSTI]

    with selected area electron diffraction (SAED) to assess crystal structure of the particles (Figure S4a through 0.025 m pore size mixed cellulose ester membranes (Millipore). The material that deposited on the filter membrane was analyzed for crystallographic structure by synchrotron XRD performed at the Stanford

  19. 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.

  20. 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.

  1. The use of novel biodegradable, optically active and nanostructured poly(amide-ester-imide) as a polymer matrix for preparation of modified ZnO based bionanocomposites

    SciTech Connect (OSTI)

    Abdolmaleki, Amir; Nanotechnology and Advanced Materials Institute, Isfahan University of Technology, Isfahan 84156-83111, Islamic Republic of Iran ; Mallakpour, Shadpour; Nanotechnology and Advanced Materials Institute, Isfahan University of Technology, Isfahan 84156-83111, Islamic Republic of Iran ; Borandeh, Sedigheh

    2012-05-15

    Highlights: Black-Right-Pointing-Pointer A novel biodegradable and nanostructured PAEI based on two amino acids, was synthesized. Black-Right-Pointing-Pointer ZnO nanoparticles were modified via two different silane coupling agents. Black-Right-Pointing-Pointer PAEI/modified ZnO BNCs were synthesized through ultrasound irradiation. Black-Right-Pointing-Pointer ZnO particles were dispersed homogeneously in PAEI matrix on nanoscale. Black-Right-Pointing-Pointer The effect of ZnO nanoparticles on the properties of synthesized polymer was examined. -- Abstract: A novel biodegradable and nanostructured poly(amide-ester-imide) (PAEI) based on two different amino acids, was synthesized via direct polycondensation of biodegradable N,N Prime -bis[2-(methyl-3-(4-hydroxyphenyl)propanoate)]isophthaldiamide and N,N Prime -(pyromellitoyl)-bis-L-phenylalanine diacid. The resulting polymer was characterized by FT-IR, {sup 1}H NMR, specific rotation, elemental analysis, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) and field emission scanning electron microscopy (FE-SEM) analysis. The synthesized polymer showed good thermal stability with nano and sphere structure. Then PAEI/ZnO bionanocomposites (BNCs) were fabricated via interaction of pure PAEI and ZnO nanoparticles. The surface of ZnO was modified with two different silane coupling agents. PAEI/ZnO BNCs were studied and characterized by FT-IR, XRD, UV/vis, FE-SEM and TEM. The TEM and FE-SEM results indicated that the nanoparticles were dispersed homogeneously in PAEI matrix on nanoscale. Furthermore the effect of ZnO nanoparticle on the thermal stability of the polymer was investigated with TGA and DSC technique.

  2. Regulation of yeast development by mRNA methylation

    E-Print Network [OSTI]

    Agarwala, Sudeep D

    2012-01-01

    The internal methylation of mRNA post-transcriptionally is an essential component of the mRNA editing machinery in virtually every eukaryotic system. Despite this ubiquity, little is known about the relevance, consequences ...

  3. Methyl arsenic adsorption and desorption behavior on iron oxides†

    E-Print Network [OSTI]

    Lafferty, Brandon James

    2005-08-29

    been conducted regarding interactions of the methyl-arsenic forms. The objective of this study was to compare the adsorption and desorption behavior of methylarsonate (MMAsV), methylarsonous acid (MMAsIII), dimethylarsinate (DMAsV), dimethylarsinous...

  4. Methyl bromide emissions to the atmosphere from temperate woodland ecosystems†

    E-Print Network [OSTI]

    Drewer, Julia; Heal, Kate V; Smith, Keith A; Heal, Mathew R

    2008-01-01

    The environmental importance of methyl bromide (CH3Br) arises from its contribution to stratospheric ozone loss processes and, as a consequence, its emissions from anthropogenic sources are subject to the Montreal Protocol. ...

  5. Integrated process of distillation with side reactors for synthesis of organic acid esters

    DOE Patents [OSTI]

    Panchal, Chandrakant B; Prindle, John C; Kolah, Aspri; Miller, Dennis J; Lira, Carl T

    2015-11-04

    An integrated process and system for synthesis of organic-acid esters is provided. The method of synthesizing combines reaction and distillation where an organic acid and alcohol composition are passed through a distillation chamber having a plurality of zones. Side reactors are used for drawing off portions of the composition and then recycling them to the distillation column for further purification. Water is removed from a pre-reactor prior to insertion into the distillation column. An integrated heat integration system is contained within the distillation column for further purification and optimizing efficiency in the obtaining of the final product.

  6. 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.

  7. 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.'

  8. SUITABILITY OF SMALL FISH SPECIES FOR MONITORING THE EFFECTS OF PULP MILL EFFLUENT ON FISH

    E-Print Network [OSTI]

    #12;SUITABILITY OF SMALL FISH SPECIES FOR MONITORING THE EFFECTS OF PULP MILL EFFLUENT ON FISH;SUITABILITY OF SMALL FISH SPECIES FOR MONITORING THE EFFECTS OF PULP MILL EFFLUENT ON FISH POPULATIONS of the elements of study included monitoring the effects of pulp mill effluent on resident fish populations

  9. Patel S. et al. 2001. Chemical and Physical Analyses of Wax Ester Properties. 8 pp. Journal of Insect Science, 1.4. Available online: insectscience.org/1.4

    E-Print Network [OSTI]

    Ahmad, Sajjad

    Patel S. et al. 2001. Chemical and Physical Analyses of Wax Ester Properties. 8 pp. Journal.org Chemical and Physical Analyses of Wax Ester Properties Sejal Patel1 , Dennis R. Nelson2 and Allen G. Gibbs3 Abstract Wax esters are major constituents of the surface lipids in many terrestrial arthropods

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

    DOE Patents [OSTI]

    Belinsky, Steven A. (Albuquerque, NM); Palmisano, William A. (Edgewood, NM)

    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.

  11. Two-Sided Comb Poly(amic ester)Poly(propylene oxide) Graft Copolymers as Porous Polyimide Precursors

    E-Print Network [OSTI]

    Carter, Kenneth

    Two-Sided Comb Poly(amic ester)≠Poly(propylene oxide) Graft Copolymers as Porous Polyimide. These polymers were thermally cured to produce polyimide/PPO composites. The thermolysis of these polyimide/ PPO composites yielded porous polyimide films with porosities ranging of 4≠22.5%. © 2005 Wiley Periodicals, Inc

  12. 1,4-Addition of Lithium Diisopropylamide to Unsaturated Esters: Role of Rate-Limiting Deaggregation, Autocatalysis,

    E-Print Network [OSTI]

    Collum, David B.

    1,4-Addition of Lithium Diisopropylamide to Unsaturated Esters: Role of Rate-Limiting Deaggregation, Autocatalysis, Lithium Chloride Catalysis, and Other Mixed Aggregation Effects Yun Ma, Alexander C. Hoepker.edu Abstract: Lithium diisopropylamide (LDA) in tetrahydrofuran at -78 įC undergoes 1,4-addition

  13. The development of a rod-coil redox polymer composed of biphenyl esters and poly (4-vinylpyridine)†

    E-Print Network [OSTI]

    DeCormier, Amy Urbanowicz

    2001-01-01

    A rod-coil polymer was successfully synthesized to provide a backbone structure from which a redox polymer was produced. The rod was composed of biphenyl esters and the coil was composed of poly (4-vinylpyridine). The coil was produced by anionic...

  14. 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.

  15. 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.

  16. 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.

  17. Historical overview on Vacuum suitable Welding and fatigue resistance in Research Devices

    E-Print Network [OSTI]

    Wolf, Martin

    2015-01-01

    New inventions change the approach of vacuum suitable welding for research purpose. With orbital welding, laser welding and robot welding the possibilities increase to fabricate larger vessels more accurately. Despite this development there is still no perfect understanding on how to avoid virtual leaks and how to make such joints suitable for dynamic stress. By recalling its historical development, it is apparent how welding mistakes began occurring systematically and how to avoid them. With ASDEX-Upgrade as an example, it is shown how the attempt to conduct vacuum suitable welding has decreased the fatigue strength. ITER could repeat the mistakes of ASDEX-Upgrade even for unwanted welding (accidental fusing of joints).

  18. The influence of molecular structure of fatty acid monoalkyl esters on diesel combustion

    SciTech Connect (OSTI)

    Schoenborn, Alessandro; Ladommatos, Nicos [Department of Mechanical Engineering, University College London, Torrington Place, London WC1E 7JE (United Kingdom); Williams, John; Allan, Robert; Rogerson, John [BP Oil UK Limited, Technology Centre, Whitchurch Hill, Pangbourne, Reading, RG8 7QR (United Kingdom)

    2009-07-15

    The subject of this paper is a series of experiments conducted on a single-cylinder research engine investigating the influence of molecular structure on the combustion behaviour of fatty acid alcohol ester (biodiesel) molecules under diesel engine conditions. The fuels employed in these experiments comprised various samples of pure individual fatty acid alcohol ester molecules of different structure, as well as several mixtures of such molecules. The latter consisted in biodiesel fuels produced by the transesterification of naturally occurring plant oils or animal fat with a monohydric alcohol. It was observed that the molecular structure of the fuel significantly influenced the formation of NO{sub x} and particulate matter and their respective concentration in the exhaust gas. The influence on the formation of NO{sub x} in particular, appeared to be exerted first through the effect which the molecular structure had on the auto-ignition delay occurring after the fuel was injected into the combustion chamber, and second through the flame temperature at which the various molecules burned. The emission of particulates on the other hand showed correlation with the number of double bonds in the fuel molecules for the case of larger accumulation mode particles, and with the boiling point of the fuel samples for the case of the smaller, nucleation mode particles. The effect of ignition delay on the exhaust emissions of these pollutants was isolated by adding the ignition promoting molecule 2-ethylhexyl nitrate to some of the fuel samples in closely specified concentrations, so as to equalise the ignition delay for the relevant fuel samples. The removal of the ignition delay as a main influence on the combustion process enabled the observation of the lesser effects of adiabatic flame temperature. (author)

  19. Role of CpG island methylation and MBD2 in immune cell gene regulation†

    E-Print Network [OSTI]

    Deaton, Aimťe M.

    2010-01-01

    The phenomenon of cell type-specific DNA methylation has received much attention in recent years and a number of DNA methylation differences have been described between cells of the immune system. Of particular interest ...

  20. Investigating the association between BRAFV600E and methylation in sporadic colon cancer†

    E-Print Network [OSTI]

    Baxter, Eva Louise

    2012-06-30

    Aberrant methylation of CpG island promoters is a frequent observation in cancer and is known to affect many genes, including tumour suppressor genes. Genes with methylated promoters are usually repressed and inactive, ...

  1. 2,000-year record of atmospheric methyl bromide from a South Pole ice core

    E-Print Network [OSTI]

    Saltzman, Eric S; Aydin, Murat; Tatum, Cheryl; Williams, Margaret B

    2008-01-01

    air from firn at the South Pole, Nature, 383, 231 Ė 235. 5METHYL BROMIDE FROM SOUTH POLE ICE CORE Butler, J. H. , M.of methyl chloride from a South Pole ice core: Evidence for

  2. Evaluation of the Suitability of Polarimetric Scattering and Emissivity Models with Scene Generation Software

    E-Print Network [OSTI]

    Gartley, Michael G.

    Evaluation of the Suitability of Polarimetric Scattering and Emissivity Models with Scene models and hardware based infrared scene projectors commonly utilize analytical forms of polarized bi, polarimetric imaging sensors and payloads can benefit greatly from polarization capable synthetic image

  3. Rare-earth tantalates and niobates suitable for use as nanophosphors

    SciTech Connect (OSTI)

    Nyman, May D; Rohwer, Lauren E.S& gt

    2013-11-19

    A family of rare-earth Group 5 oxides, where the Group 5 oxide is a niobate or tantalate. The rare-earth Group 5 oxides can be doped with suitable emitter ions to form nanophosphors.

  4. OUTLOOK: Specialty crops and methyl bromide alternatives: Taking stock after 7 years

    E-Print Network [OSTI]

    Browne, Greg T

    2013-01-01

    finding alternatives to Outlook Specialty crops and methylNumber 3 Steve Fennimore Outlook Non-fumigant approaches to

  5. S0S1 transition of trans--methyl styrene: Vibronic structure and dynamics

    E-Print Network [OSTI]

    Haas, Yehuda

    S0S1 transition of trans- -methyl styrene: Vibronic structure and dynamics Y. Haas, S. Kendler, E; accepted 28 March 1995 The fluorescence excitation and emission spectra of trans- -methyl styrene have been of styrene and of trans- -methyl styrene BMS is reported. The BMS molecule is calculated to be essentially

  6. An Arabidopsis thaliana methyltransferase capable of methylating farnesoic acid q

    E-Print Network [OSTI]

    Pichersky, Eran

    : Plant biochemistry; Secondary metabolism; Plant defense; Methyl farnesoate; Terpenes; Insect juvenile Arbor, MI 48109-1048, USA b Department of Plant Sciences, 2431 Joe Johnson Drive, University reported the identification of a new family of plant methyltransferases (MTs), named the SABATH family

  7. 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.

  8. Selection of a suitable reactor type for water desalination and power generation in Saudi Arabia

    SciTech Connect (OSTI)

    Hussein, F.M.

    1988-03-01

    Selection of a reactor type suitable for water desalination and power generation is a complex process that involves the evaluation of many criteria and requires the professional judgment of many experts in different fields. A reactor type that is suitable for one country might not be suitable for another. This is especially true in the case of Saudi Arabia because of its strategic location, the nature of its land and people, and its moderate technological situation. A detailed study using a computer code based on Saaty's mathematical pairwise comparison technique and developed in a previous study was carried out to find the most suitable reactor for water desalination and power generation in Saudi Arabia from among five potential types: boiling water reactors (BWRs), pressurized water reactors, CANDU heavy water reactors (HWRs), steam-generating heavy water reactors (SGHWRs), and high-temperature gas-cooled reactors. It was concluded that the CANDU HWR is the most suitable type for this purpose followed first by the BWR, then the SGHWR.

  9. PALLADIUM-CATALYZED DECARBOXYLATIVE ALLYLATIONS OF ESTER ENOLATE EQUIVALENTS AND PALLADIUM-CATALYZED CYCLIZATIONS VIA CO2 AND SILYL ACTIVATION

    E-Print Network [OSTI]

    Ariyarathna, Yamuna Kumari

    2014-08-31

    heteronuclear multiple bond correlation HMPA hexamethylphosphoramide HPLC high performance liquid chromatography HSQC heteronuclear single quantum coherence K2CO3 potassium carbonate Ln ligand LAH lithium aluminum hydride LG....13 Synthesis of acyl pyrroles Use of pre-prepared lithium pyrrolide proved to be successful for the nucleophilic substitution of the acyl chloride. The synthesized acyl pyrrole ester was subjected to the decarboxylative allylation conditions. To our delight...

  10. New gas mixtures suitable for rare event detection using a Micromegas-TPC detector

    E-Print Network [OSTI]

    L. Ounalli; J-L. Vuilleumier; D. Schenker; J-M. Vuilleumier

    2008-12-29

    The aim of the presented work was to develop further techniques based on a Micromegas-TPC, in order to reach a high gas gain with good energy resolution, and to search for gas mixtures suitable for rare event detection. This paper focuses on xenon, which is convenient for the search of neutrinoless double beta decay in 136 Xe. Conversely, a small admixture of xenon to CF 4 can reduce attachment in the latter. This gas mixture would be suitable for dark matter searches and the study of solar and reactor neutrinos. Various configurations of the Micromegas plane were investigated and are described.

  11. Mild partial deoxygenation of esters catalyzed by an oxazolinylborate-coordinated rhodium silylene

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

    Xu, Songchen; Boschen, Jeffery S.; Biswas, Abhranil; Kobayashi, Takeshi; Pruski, Marek; Windus, Theresa L.; Sadow, Aaron D.

    2015-08-17

    An electrophilic, coordinatively unsaturated rhodium complex supported by borate-linked oxazoline, oxazoline-coordinated silylene, and N-heterocyclic carbene donors [{?≥-N,Si,C-PhB(OxMe≤)(OxMe≤SiHPh)ImMes}Rh(H)CO][HB(C?F?)?] (2, OxMe≤ = 4,4-dimethyl-2-oxazoline; ImMes = 1-mesitylimidazole) is synthesized from the neutral rhodium silyl {PhB(OxMe≤)?ImMes}RhH(SiH2Ph)CO (1) and B(C6F5)3. The unusual oxazoline-coordinated silylene structure in 2 is proposed to form by rearrangement of an unobserved isomeric cationic rhodium silylene species [{PhB(OxMe≤)?ImMes}RhH(SiHPh)CO][HB(C?F?)?] generated by H abstraction. Complex 2 catalyzes reductions of organic carbonyl compounds with silanes to give hydrosilylation products or deoxygenation products. The pathway to these reactions is primarily influenced by the degree of substitution of the organosilane. Reactions with primary silanes give deoxygenationmore†Ľof esters to ethers, amides to amines, and ketones and aldehydes to hydrocarbons, whereas tertiary silanes react to give 1,2-hydrosilylation of the carbonyl functionality. In contrast, the strong Lewis acid B(C?F?)? catalyzes the complete deoxygenation of carbonyl compounds to hydrocarbons with PhSiH? as the reducing agent.ę†less

  12. PERFORMANCE ENHANCEMENT OF COMPRESSION MOLDED KENAF FIBER REINFORCED VINYL ESTER COMPOSITES THROUGH RESIN ADDITIVE

    SciTech Connect (OSTI)

    Fifield, Leonard S.; Simmons, Kevin L.; Laddha, Sachin; Kafentzis, Tyler A.

    2010-05-17

    Plant-based bio-fiber has the potential to achieve weight and cost savings over glass fiber in automotive polymer composites if moisture stability and fiber-resin compatibility issues can be solved. This paper describes the compression molding of 50vol% 2 inch random nonwoven mat kenaf fiber vinyl ester composites with and without chemical resin additives intended to improve moisture stability and resin compatibility. The 2wt% addition of n-undecanoyl chloride or 10-undecenoyl chloride to the styrene-based resin prior to molding of the kenaf composites was observed to decrease the 24hr, 25oC moisture uptake of the molded panels by more than 50%. The tensile stiffness and flexural stiffness of the soaked panels containing these additives were seen to increase by more than 30% and 70%, respectively, relative to panels made with no additives. While Ďdryí panel (50% relative humidity at 25oC) strengths did not significantly change in the presence of the additives, tensile strength was observed to increase by more than 40% and flexural strength more than doubled for the soaked panels.

  13. 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.

  14. Fiber-optic communication links suitable for on-board use in modern aircraft

    E-Print Network [OSTI]

    Atiquzzaman, Mohammed

    connections can be a problem for aircraft that operate in coastal environments, as such corrosion can leadFiber-optic communication links suitable for on-board use in modern aircraft Hung Nguyena , Duc emphasis on air transportation communication systems in on-board aircraft. The conventional solutions

  15. Oil and Gas CDT Are non-marine organic-rich shales suitable exploration

    E-Print Network [OSTI]

    Henderson, Gideon

    Oil and Gas CDT Are non-marine organic-rich shales suitable exploration targets? The University will receive 20 weeks residential training of broad relevance to the oil and gas industry: 10 weeks in Year 1 and also experienced oil and gas industry professionals. The supervisors at Oxford and Exeter have

  16. Assessing the suitability of GIS as an aid for Location Scouting in Low-Budget Filmmaking†

    E-Print Network [OSTI]

    Fuller, Callum

    2010-11-24

    The purpose of this analysis was to assess the suitability of GIS as an aid for location scouting in low-budget filmmaking, with Edinburgh serving as the target area. The main aspect of the project was to create a web based map service to act as a...

  17. Criteria for Suitable Spawning Habitat for the Robust Redhorse Moxostoma robustum

    E-Print Network [OSTI]

    Radcliffe, David

    populations persist in rivers with flows influenced by hydropower dams. The robust redhorse is uncommon. Potential loss of suitable habitat as a result of hydrologic alteration, especially for life history stages considered having the narrowest habitat requirements, is a primary management concern. Evaluating potential

  18. Habitat suitability modeling for the eastern hog-nosed snake, Heterodon platirhinos, in Ontario

    E-Print Network [OSTI]

    Blouin-Demers, Gabriel

    Habitat suitability modeling for the eastern hog-nosed snake, Heterodon platirhinos, in Ontario, the eastern hog- nosed snake, Heterodon platirhinos, is found in a limited portion of southern Ontario Ontario, it is crucial to document what limits the snake's habitat to direct conservation efforts better

  19. Mapping Suitability Areas for Concentrated Solar Power Plants Using Remote Sensing Data

    SciTech Connect (OSTI)

    Omitaomu, Olufemi A; Singh, Nagendra; Bhaduri, Budhendra L

    2015-01-01

    The political push to increase power generation from renewable sources such as solar energy requires knowing the best places to site new solar power plants with respect to the applicable regulatory, operational, engineering, environmental, and socioeconomic criteria. Therefore, in this paper, we present applications of remote sensing data for mapping suitability areas for concentrated solar power plants. Our approach uses digital elevation model derived from NASA s Shuttle Radar Topographic Mission (SRTM) at a resolution of 3 arc second (approx. 90m resolution) for estimating global solar radiation for the study area. Then, we develop a computational model built on a Geographic Information System (GIS) platform that divides the study area into a grid of cells and estimates site suitability value for each cell by computing a list of metrics based on applicable siting requirements using GIS data. The computed metrics include population density, solar energy potential, federal lands, and hazardous facilities. Overall, some 30 GIS data are used to compute eight metrics. The site suitability value for each cell is computed as an algebraic sum of all metrics for the cell with the assumption that all metrics have equal weight. Finally, we color each cell according to its suitability value. We present results for concentrated solar power that drives a stream turbine and parabolic mirror connected to a Stirling Engine.

  20. Toward Improved Identifiability of Soil Hydraulic Parameters: On the Selection of a Suitable Parametric Model

    E-Print Network [OSTI]

    Vrugt, Jasper A.

    hydraulic properties (Hopmans et al., 1992; van Dam useful description of parameter uncertainty and itsToward Improved Identifiability of Soil Hydraulic Parameters: On the Selection of a Suitable identifiability analysis of the soil hydraulic During the last two decades, a great deal of researchparameters

  1. 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.

  2. Durability of Poly (Methyl Methacrylate) Lenses Used in Concentrating Photovoltaics (Presentation)

    SciTech Connect (OSTI)

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

    2010-10-21

    This presentation reports the findings of NREL's screen test to characterize the durability of poly (methyl methacrylate) lenses used in concentrated photovoltaics.

  3. REVERSIBLE METAL-TO-METAL METHYL TRANSFER IN n5-CYCLOPENTADIENYL(TRIPHENYLPHOSPHINE)DIMETHYLCOBALT(III)

    E-Print Network [OSTI]

    Bryndza, Henry E.

    2013-01-01

    transfer between transition metals which is assisted by aJournal of the American Chemical Society REVERSIBLE METAL-TO-METAL METHYL TRANSFER IN n 5-CYCLOPENTAOIENYL(

  4. Estimating Rooftop Suitability for PV: A Review of Methods, Patents, and Validation Techniques

    SciTech Connect (OSTI)

    Melius, J.; Margolis, R.; Ong, S.

    2013-12-01

    A number of methods have been developed using remote sensing data to estimate rooftop area suitable for the installation of photovoltaics (PV) at various geospatial resolutions. This report reviews the literature and patents on methods for estimating rooftop-area appropriate for PV, including constant-value methods, manual selection methods, and GIS-based methods. This report also presents NREL's proposed method for estimating suitable rooftop area for PV using Light Detection and Ranging (LiDAR) data in conjunction with a GIS model to predict areas with appropriate slope, orientation, and sunlight. NREL's method is validated against solar installation data from New Jersey, Colorado, and California to compare modeled results to actual on-the-ground measurements.

  5. Synthesis of an acid addition salt of delta-aminolevulinic acid from 5-bromo levulinic acid esters

    DOE Patents [OSTI]

    Moens, L.

    1999-05-25

    A process is disclosed for preparing an acid addition salt of delta-aminolevulinic acid comprising. The process involves dissolving a lower alkyl 5-bromolevulinate and an alkali metal diformylamide in an organic solvent selected from the group consisting of acetonitrile, methanol, tetrahydrofuran, 2-methyltetrahydrofuran and methylformate or mixtures to form a suspension of an alkyl 5-(N,N-diformylamino) levulinate ester; and hydrolyzing the alkyl 5-(N,N-diformylamino) levulinate with an inorganic acid to form an acid addition salt of delta-amino levulinic acid.

  6. Synthesis of an acid addition salt of delta-aminolevulinic acid from 5-bromo levulinic acid esters

    DOE Patents [OSTI]

    Moens, Luc (Lakewood, CO)

    1999-01-01

    A process of preparing an acid addition salt of delta-aminolevulinic acid comprising: dissolving a lower alkyl 5-bromolevulinate and an alkali metal diformylamide in an organic solvent selected from the group consisting of acetonitrile, methanol, tetrahydrofuran, 2-methyltetrahydrofuran and methylformate or mixtures thereof to form a suspension of an alkyl 5-(N,N-diformylamino) levulinate ester; and hydrolyzing said alkyl 5-(N,N-diformylamino) levulinate with an inorganic acid to form an acid addition salt of delta-amino levulinic acid.

  7. Transportation and its Infrastructure

    E-Print Network [OSTI]

    2007-01-01

    fuels include ethanol, biodiesel and methanol, and syntheticEsterification Vegetable oil Biodiesel (esters) Bio oilsuch as ethanol, methanol, biodiesel, di-methyl esters (DME)

  8. Arsenic Methylation and Bladder Cancer Risk in CaseControl Studies in Argentina and the

    E-Print Network [OSTI]

    California at Berkeley, University of

    Arsenic Methylation and Bladder Cancer Risk in Case≠Control Studies in Argentina and the United's susceptibility to bladder cancer. Methods: Urinary methylation products were measured in subjects from Argentina (114 cases and 114 controls) and the United States (23 cases and 49 controls). Results: In Argentina

  9. Methyl Bromide o Bromomethane, monobromomethane, isobrome, Brom-o-Gas, Bromomethane, Celume,

    E-Print Network [OSTI]

    Toohey, Darin W.

    Methyl Bromide What o Bromomethane, monobromomethane, isobrome, Brom-o-Gas, Bromomethane, Celume, Embafume, Haltox, MB, MeBr, Profume, Terr-o-Gas, Zytox, and methyl fume o Oder less and colorless gas, up times heavier than air, accumulates in poorly ventilated and low-lying areas Uses o Pesticide

  10. Molecular Dynamics of Methylamine, Methanol, and Methyl Fluoride Cations in Intense 7 Micron Laser Fields

    E-Print Network [OSTI]

    Schlegel, H. Bernhard

    Molecular Dynamics of Methylamine, Methanol, and Methyl Fluoride Cations in Intense 7 Micron Laser of methylamine (CH3NH2 + ), methanol (CH3OH+ ), and methyl fluoride (CH3F+ ) cations by short, intense laser 7 m laser pulses. This work is motivated by recent studies of methanol cations by Yamanouchi and co

  11. New insight into the mechanism of methyl transfer during the biosynthesis of fosfomycin{

    E-Print Network [OSTI]

    Zhao, Huimin

    New insight into the mechanism of methyl transfer during the biosynthesis of fosfomycin{ Ryan D shown in Scheme 1A.4≠11 Yet, the mechanism of an unprecedented methyl transfer step in the biosynthesis in combina- tion with bioinformatics analysis lead to a radically different mechanism

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

    E-Print Network [OSTI]

    California at Berkeley, University of

    Arsenic methylation and lung and bladder cancer in a case-control study in northern Chile Dawit Accepted 20 November 2013 Available online 1 December 2013 Keywords: Arsenic Cancer Methylation Lung about its role in lung cancer, the most common cause of arsenic-related death, or about its impacts

  13. Multifunctional Properties of Cyanate Ester Composites with SiO2 Coated Fe3O4 Fillers

    SciTech Connect (OSTI)

    Sun, Weixing; Sun, Wuzhu; Kessler, Michael R.; Bowler, Nicola; Dennis, Kevin W.; McCallum, R. William; Li, Qi; Tan, Xiaoli

    2013-02-22

    SiO2 coated Fe3O4 submicrometer spherical particles (a conducting core/insulating shell configuration) are fabricated using a hydrothermal method and are loaded at 10 and 20 vol % into a bisphenol E cyanate ester matrix for synthesis of multifunctional composites. The dielectric constant of the resulting composites is found to be enhanced over a wide frequency and temperature range while the low dielectric loss tangent of the neat cyanate ester polymer is largely preserved up to 160 ?C due to the insulating SiO2 coating on individual conductive Fe3O4 submicrometer spheres. These composites also demonstrate high dielectric breakdown strengths at room temperature. Dynamic mechanical analysis indicates that the storage modulus of the composite with a 20 vol % filler loading is twice as high as that of neat resin, but the glass transition temperature considerably decreases with increasing filler content. Magnetic measurements reveal a large saturation magnetization and negligibly low coercivity and remanent magnetization in these composites.

  14. Composition suitable for use as inert electrode having good electrical conductivity and mechanical properties

    DOE Patents [OSTI]

    Ray, S.P.; Rapp, R.A.

    1984-06-12

    An improved inert electrode composition is suitable for use as an inert electrode in the production of metals such as aluminum by the electrolytic reduction of metal oxide or metal salt dissolved in a molten salt bath. The composition comprises one or more metals or metal alloys and metal compounds which may include oxides of the metals comprising the alloy. The alloy and metal compounds are interwoven in a network which provides improved electrical conductivity and mechanical strength while preserving the level of chemical inertness necessary for such an electrode to function satisfactorily. 8 figs.

  15. Evaluation of Suitability of Selected Set of Coal Plant Sites for Repowering with Small Modular Reactors

    SciTech Connect (OSTI)

    Belles, Randy; Copinger, Donald A; Mays, Gary T; Omitaomu, Olufemi A; Poore III, Willis P

    2013-03-01

    This report summarizes the approach that ORNL developed for screening a sample set of small coal stations for possible repowering with SMRs; the methodology employed, including spatial modeling; and initial results for these sample plants. The objective in conducting this type of siting evaluation is to demonstrate the capability to characterize specific sample coal plant sites to identify any particular issues associated with repowering existing coal stations with SMRs using OR-SAGE; it is not intended to be a definitive assessment per se as to the absolute suitability of any particular site.

  16. High resolution imaging with Fresnel interferometric arrays: suitability for exoplanet detection

    E-Print Network [OSTI]

    L. Koechlin; D. Serre; P. Duchon

    2005-10-13

    We propose a new kind of interferometric array that yields images of high dynamic range and large field. The numerous individual apertures in this array form a pattern related to a Fresnel zone plate. This array can be used for astrophysical imaging over a broad spectral bandwidth spanning from the U.V. (50 nanometers) to the I.R. (20 microns). Due to the long focal lengths involved, this instrument requires formation-flying of two space borne vessels. We present the concept and study the S/N ratio in different situations, then apply these results to probe the suitability of this concept to detect exoplanets.

  17. Development of a Habitat Suitability Index Model for the Sage Sparrow on the Hanford Site

    SciTech Connect (OSTI)

    Duberstein, Corey A.; Simmons, Mary Ann; Sackschewsky, Michael R.; Becker, James M.

    2008-01-01

    Mitigation threshold guidelines for the Hanford Site are based on habitat requirements of the sage sparrow (Amphispiza belli) and only apply to areas with a mature sagebrush (Artemisia tridentata) overstory and a native understory. The sage sparrow habitat requirements are based on literature values and are not specific to the Hanford Site. To refine these guidelines for the Site, a multi-year study was undertaken to quantify habitat characteristics of sage sparrow territories. These characteristics were then used to develop a habitat suitability index (HSI) model which can be used to estimate the habitat value of specific locations on the Site.

  18. Hydrocracking phenanthrene and 1-methyl naphthalene: Development of linear free energy relationships

    SciTech Connect (OSTI)

    Landau, R.N.; Korre, S.C.; Neurock, M.; Klein, M.T. [Univ. of Delaware, Newark, DE (United States); Quann, R.J. [Mobil Research and Development Corp., Paulsboro, NJ (United States)

    1994-12-31

    The catalytic hydrocracking reaction pathways, kinetics and mechanisms of 1-methyl naphthalene and phenanthrene were investigated in experiments at 350 C and 68.1 atm H{sub 2} partial pressure (190.6 atm total pressure), using a presulfided Ni/W on USY zeolite catalyst. 1-methyl naphthalene hydrocracking led to 2-methyl naphthalene, methyl tetralins, methyl decalins, pentyl benzene and tetralin. Phenanthrene hydrocracking led to dihydro, tetrahydro and octahydro phenanthrene, butyl naphthalene, tetralin to butyl tetralin and dibutyl benzene. The rate constants for the dealkylation of butyl tetralins produced in the phenanthrene hydrocracking network conform to a linear free energy relationship (LFER), with the heat of formation of the leaving alkyl carbenium ion as the reactivity index.

  19. Suitability of boron-nitride single-walled nanotubes as fluid-flow conduits in nano-valve applications

    E-Print Network [OSTI]

    Grujicic, Mica

    Suitability of boron-nitride single-walled nanotubes as fluid-flow conduits in nano-valve the suitability of boron-nitride single-walled nanotubes (SWNTs) as fluid- flow conduits in the nano-valve reserved. doi:10.1016/j.apsusc.2004.11.007 #12;control nano-valve based on a silicon nano-beam actuator

  20. 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.

  1. The synthesis of some N-methylated aminoalkylphosphonic acids†

    E-Print Network [OSTI]

    Eikenberry, Jon Nathan

    1966-01-01

    with a Beckman, Model IR-8 double 20 N. A. L 0, H dh k f~Ch* ' t, 10th d. , td G -H'tf Book Co. , Inc. , New York, N. Y. , 1961, p. 1391. 21 G. M. Kosolapoff and R. M. Watson, J. Am, Chem. Soc. , 73, 4101 (1951). 32 beam spectrophotometer. Spectra... 80. 2 g. (53. 8%) of l-dimethylamino-2-methyl-l-propene, b. p. 85-86, n l. 4195, d 0. 7360; M calcd. 33. 54, found 34. 09. o 25 25 o 19. 6 Tiollais and assoc&ates reported 64% yield, b. p. 87, n ' l. 4212, D 19. 6 5 13c 4 1-Dimethylamino-1-butene...

  2. 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.

  3. Current Biology 17, 379384, February 20, 2007 2007 Elsevier Ltd All rights reserved DOI 10.1016/j.cub.2007.01.009 The SRA Methyl-Cytosine-Binding Domain

    E-Print Network [OSTI]

    Jacobsen, Steve

    . In Arabidopsis, DNA methylation (5-methyl cytosine) occurs not only at CG residues, but also at CNG methylation at CG residues [7, 8], whereas CHROMOMETHYLASE3 (CMT3) maintains the majority of CNG methylation of CNG methylation and is also required for de novo methylation of cytosines in all sequence contexts [2

  4. 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.

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

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

    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,more†Ľand 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.ę†less

  6. Conformational free energies of methyl-$\\alpha$-L-iduronic and methyl-$\\beta$-D-glucuronic acids in water

    E-Print Network [OSTI]

    Babin, Volodymyr

    2009-01-01

    We present a simulation protocol that allows for efficient sampling of the degrees of freedom of a solute in explicit solvent. The protocol involves using a non-equilibrium umbrella sampling method, in this case the recently developed adaptively biased molecular dynamics method, to compute an approximate free energy for the slow modes of the solute in explicit solvent. This approximate free energy is then used to set up a Hamiltonian replica exchange scheme that samples both from biased and unbiased distributions. The final accurate free energy is recovered via the WHAM technique applied to all the replicas, and equilibrium properties of the solute are computed from the unbiased trajectories. We illustrate the approach by means of applying it to the study of the puckering landscapes of the methyl glycosides of $\\alpha$-L-iduronic acid and its C5 epimer $\\beta$-D-glucuronic acid in water. Big savings in computational resources are gained in comparison to the standard parallel tempering method.

  7. A Quantum-Chemistry-Based Potential for a Poly(ester urethane) Grant D. Smith,* Dmitry Bedrov, Oleksiy Byutner, Oleg Borodin, and Chakravarthy Ayyagari

    E-Print Network [OSTI]

    Utah, University of

    A Quantum-Chemistry-Based Potential for a Poly(ester urethane) Grant D. Smith,* Dmitry Bedrov and Department of Chemical and Fuels Engineering, 122 South Central Campus DriVe, Room 304, UniVersity of Utah,4- butanediol (BDO) linkages and poly(tetramethylene diphenyl- methane-urethane) (PTDU) hard segments formed

  8. Nitrate ions spikes in ice cores are not suitable proxies for solar proton events

    E-Print Network [OSTI]

    Duderstadt, Katharine A; Jackman, Charles H; Randall, Cora E; Schwadron, Nathan A; Solomon, Stanley C; Spence, Harlan E; Yudin, Valery A

    2015-01-01

    Nitrate ion spikes in polar ice cores are contentiously used to estimate the intensity, frequency, and probability of historical solar proton events, quantities that are needed to prepare for potentially society-crippling space weather events. We use the Whole Atmosphere Community Climate Model to calculate how large an event would have to be to produce enough odd nitrogen throughout the atmosphere to be discernible as nitrate peaks at the Earth's surface. These hypothetically large events are compared with probability of occurrence estimates derived from measured events, sunspot records, and cosmogenic radionuclides archives. We conclude that the fluence and spectrum of solar proton events necessary to produce odd nitrogen enhancements equivalent to the spikes of nitrate ions in Greenland ice cores are unlikely to have occurred throughout the Holocene, confirming that nitrate ions in ice cores are not suitable proxies for historical individual solar proton events.

  9. Guiding optimal biofuels : a comparative analysis of the biochemical production of ethanol and fatty acid ethyl esters from switchgrass.

    SciTech Connect (OSTI)

    Paap, Scott M.; West, Todd H.; Manley, Dawn Kataoka; Dibble, Dean C.; Simmons, Blake Alexander; Steen, Eric J.; Beller, Harry R.; Keasling, Jay D.; Chang, Shiyan

    2013-01-01

    In the current study, processes to produce either ethanol or a representative fatty acid ethyl ester (FAEE) via the fermentation of sugars liberated from lignocellulosic materials pretreated in acid or alkaline environments are analyzed in terms of economic and environmental metrics. Simplified process models are introduced and employed to estimate process performance, and Monte Carlo analyses were carried out to identify key sources of uncertainty and variability. We find that the near-term performance of processes to produce FAEE is significantly worse than that of ethanol production processes for all metrics considered, primarily due to poor fermentation yields and higher electricity demands for aerobic fermentation. In the longer term, the reduced cost and energy requirements of FAEE separation processes will be at least partially offset by inherent limitations in the relevant metabolic pathways that constrain the maximum yield potential of FAEE from biomass-derived sugars.

  10. Anti-inflammatory and antifibrotic effects of methyl palmitate

    SciTech Connect (OSTI)

    El-Demerdash, Ebtehal, E-mail: ebtehal_dm@yahoo.com

    2011-08-01

    Methyl palmitate (MP) has been shown earlier to inhibit Kupffer cells and rat peritoneal macrophages. To evaluate the potential of MP to inhibit the activation of other macrophages, RAW cells (macrophages of alveolar origin) were treated with varying concentrations of MP (0.25, 0.5, 1 mM). Assessment of cytotoxicity using MTT assay revealed that 0.25 and 0.5 mM are not toxic to RAW cells. MP was able to inhibit the phagocytic function of RAW cells. Treatment of cells with MP 24 hours prior to LPS stimulation significantly decreased nitric oxide release and altered the pattern of cytokines release; there was a significant decrease in TNF-{alpha} and a significant increase in IL-10 compared to the controls. However, there is a non-significant change in IL-6 level. Furthermore, phosphorylation of inhibitory kappa B (I{kappa}B{alpha}) protein was significantly decreased in RAW cells treated with 0.5 mM MP after LPS stimulation. Based upon the in-vitro results, it was examined whether MP treatment will be effective in preventing bleomycin-induced lung inflammation and fibrosis in-vivo. Bleomycin given by itself caused destruction of the lung architecture characterized by pulmonary fibrosis with collapse of air alveoli and emphysematous. Bleomycin induced a significant increase in hydroxyproline level and activated NF-{kappa}B, p65 expression in the lung. MP co-treatment significantly ameliorated bleomycin effects. These results suggest that MP has a potential of inhibiting macrophages in general. The present study demonstrated for the first time that MP has anti-inflammatory and antifibrotic effect that could be through NF-kB inhibition. Thus MP like molecule could be a promising anti-inflammatory and antifibrotic drug. - Research Highlights: >Methyl palmitate is a universal macrophage inhibitor. >It could be a promising nucleus of anti-inflammatory and antifibrotic drugs. >The underlying mechanism of these effects could be through NF-kB inhibition.

  11. Small Reactor Designs Suitable for Direct Nuclear Thermal Propulsion: Interim Report

    SciTech Connect (OSTI)

    Bruce G. Schnitzler

    2012-01-01

    Advancement of U.S. scientific, security, and economic interests requires high performance propulsion systems to support missions beyond low Earth orbit. A robust space exploration program will include robotic outer planet and crewed missions to a variety of destinations including the moon, near Earth objects, and eventually Mars. Past studies, in particular those in support of both the Strategic Defense Initiative (SDI) and the Space Exploration Initiative (SEI), have shown nuclear thermal propulsion systems provide superior performance for high mass high propulsive delta-V missions. In NASA's recent Mars Design Reference Architecture (DRA) 5.0 study, nuclear thermal propulsion (NTP) was again selected over chemical propulsion as the preferred in-space transportation system option for the human exploration of Mars because of its high thrust and high specific impulse ({approx}900 s) capability, increased tolerance to payload mass growth and architecture changes, and lower total initial mass in low Earth orbit. The recently announced national space policy2 supports the development and use of space nuclear power systems where such systems safely enable or significantly enhance space exploration or operational capabilities. An extensive nuclear thermal rocket technology development effort was conducted under the Rover/NERVA, GE-710 and ANL nuclear rocket programs (1955-1973). Both graphite and refractory metal alloy fuel types were pursued. The primary and significantly larger Rover/NERVA program focused on graphite type fuels. Research, development, and testing of high temperature graphite fuels was conducted. Reactors and engines employing these fuels were designed, built, and ground tested. The GE-710 and ANL programs focused on an alternative ceramic-metallic 'cermet' fuel type consisting of UO2 (or UN) fuel embedded in a refractory metal matrix such as tungsten. The General Electric program examined closed loop concepts for space or terrestrial applications as well as open loop systems for direct nuclear thermal propulsion. Although a number of fast spectrum reactor and engine designs suitable for direct nuclear thermal propulsion were proposed and designed, none were built. This report summarizes status results of evaluations of small nuclear reactor designs suitable for direct nuclear thermal propulsion.

  12. Mechanisms Regulating Mercury Bioavailability for Methylating Microorganisms in the Aquatic Environment: A Critical Review

    E-Print Network [OSTI]

    Mechanisms Regulating Mercury Bioavailability for Methylating Microorganisms in the Aquatic by anaerobic bacteria. In this Review, we evaluate the current state of knowledge regarding the mechanisms the uptake of inorganic mercury to these microorganisms. Our understanding of the mechanisms behind

  13. Palladium-catalyzed substitution of (coumarinyl)methyl acetates with C-, N-, and S-nucleophiles

    E-Print Network [OSTI]

    Chattopadhyay, Kalicharan; Fenster, Erik; Grenning, Alexander James; Tunge, Jon A.

    2012-07-27

    The palladium-catalyzed nucleophilic substitution of (coumarinyl)methyl acetates is described. The reaction proceeds though a palladium ?-benzyl-like complex and allows for many different types of C-, N-, and S-nucleophiles to be regioselectively...

  14. Thermomechanical properties of polyhedral oligomeric silsequioxane- poly(methyl methacrylate) nanocomposites

    E-Print Network [OSTI]

    Kopesky, Edward Thomas

    2005-01-01

    Poly(methyl methacrylate)s (PMMA) containing polyhedral oligomeric silsesquioxane (POSS) nanoparticles (d [approx.] 1.5 nm) were subjected to heological, mechanical, and morphological tests to determine the effects that ...

  15. Halogenated 1'-methyl-1,2'-bipyrroles (MBPs) in the Norwestern Atlantic

    E-Print Network [OSTI]

    Pangallo, Kristin C

    2009-01-01

    Halogenated 1'-methyl-1,2'-bipyrroles (MBPs) are a distinctive class of marine organic compounds. They are naturally produced, they have a unique carbon structure, they are highly halogenated, and they bioaccumulate in ...

  16. Heavy-atom isotope effects on the acid-catalyzed hydrolysis of methyl benzoate

    SciTech Connect (OSTI)

    Marlier, J.F.; O'Leary, M.H.

    1981-05-08

    Results of the use of a previously reported technique of four-heavy atom isotope effects for study of the acid-catalyzed hydrolysis of methyl benzoate are reported. Ether oxygen and methyl carbon isotope effects on the reaction were measured by the usual natural-abundance isotope-ratio technique. The carbonyl oxygen isotope effect was measured by the pseudo-natural-abundance double-label method as was the carbonyl carbon isotope effect. The results led to the assumption that the hydrolysis of methyl benzoate proceeds by way of a tetrahedral intermediate. The small amount of oxygen exchange with the solvent that accompanies the hydrolysis indicated that it is intermediate formation rather than decomposition that is rate determining. The small magnitude of the observed carbon isotope effect on the acid-catalyzed hydrolysis of methyl benzoate compared to carbon isotope effects on other reactions of this compound indicate that the transition state is relatively reactant-like. (BLM)

  17. Bioremediation of the organophosphate methyl parathion using genetically engineered and native organisms†

    E-Print Network [OSTI]

    Diaz Casas, Adriana Z.

    2005-11-01

    to remediate hazardous substances at significantly higher rates than found with natural systems. Specifically, degradation of methyl parathion (MP) by hydrolysis with a genetically engineered Escherichia coli was investigated along with degradation of one...

  18. A global inventory of ecosystem sources of methyl bromide, an ozone destroying gas†

    E-Print Network [OSTI]

    Fenney, Gareth

    2008-12-11

    Stratospheric ozone depletion is affected by halogen radicals, such as bromine, which is 40 times more effective at depleting ozone than chlorine. Methyl bromide, the largest contributor of bromine to the stratosphere is ...

  19. Temporal and spatial variation in methyl bromide emissions from a salt marsh†

    E-Print Network [OSTI]

    Drewer, Julia; Heal, Mathew R; Heal, Kate V; Smith, Keith A

    2006-01-01

    Methyl bromide (CH3Br) is a trace gas involved in stratospheric ozone depletion with both anthropogenic and natural sources. Estimates of natural source strengths are highly uncertain. In this study, >320 highly temporally ...

  20. Evaluating the sensitivity of hybridization-based epigenotyping using a methyl binding domain protein

    E-Print Network [OSTI]

    Shatova, Tatyana A.

    Hypermethylation of CpG islands in gene promoter regions has been shown to be a predictive biomarker for certain diseases. Most current methods for methylation profiling are not well-suited for clinical analysis. Here, we ...

  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. 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.

  3. 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.

  4. 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.

  5. Rigorous Screening Technology for Identifying Suitable CO2 Storage Sites II

    SciTech Connect (OSTI)

    George J. Koperna Jr.; Vello A. Kuuskraa; David E. Riestenberg; Aiysha Sultana; Tyler Van Leeuwen

    2009-06-01

    This report serves as the final technical report and users manual for the 'Rigorous Screening Technology for Identifying Suitable CO2 Storage Sites II SBIR project. Advanced Resources International has developed a screening tool by which users can technically screen, assess the storage capacity and quantify the costs of CO2 storage in four types of CO2 storage reservoirs. These include CO2-enhanced oil recovery reservoirs, depleted oil and gas fields (non-enhanced oil recovery candidates), deep coal seems that are amenable to CO2-enhanced methane recovery, and saline reservoirs. The screening function assessed whether the reservoir could likely serve as a safe, long-term CO2 storage reservoir. The storage capacity assessment uses rigorous reservoir simulation models to determine the timing, ultimate storage capacity, and potential for enhanced hydrocarbon recovery. Finally, the economic assessment function determines both the field-level and pipeline (transportation) costs for CO2 sequestration in a given reservoir. The screening tool has been peer reviewed at an Electrical Power Research Institute (EPRI) technical meeting in March 2009. A number of useful observations and recommendations emerged from the Workshop on the costs of CO2 transport and storage that could be readily incorporated into a commercial version of the Screening Tool in a Phase III SBIR.

  6. Identification of methyl violet 2B as a novel blocker of focal adhesion kinase signaling pathway in cancer cells

    SciTech Connect (OSTI)

    Kim, Hwan [Chemical Kinomics Research Center, Korea Institute of Science and Technology, 39-1, Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of) [Chemical Kinomics Research Center, Korea Institute of Science and Technology, 39-1, Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Translational Research Center for Protein Function Control (TRCP), Department of Biotechnology and Department of Biomedical Sciences (WCU Program), Yonsei University, Seodaemun-gu, Seoul 120-752 (Korea, Republic of); Kim, Nam Doo [Daegu-Gyeongbuk Medical Innovation Foundation, 2387 Dalgubeol-daero, Suseong-gu, Daegu 706-010 (Korea, Republic of)] [Daegu-Gyeongbuk Medical Innovation Foundation, 2387 Dalgubeol-daero, Suseong-gu, Daegu 706-010 (Korea, Republic of); Lee, Jiyeon [Chemical Kinomics Research Center, Korea Institute of Science and Technology, 39-1, Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of)] [Chemical Kinomics Research Center, Korea Institute of Science and Technology, 39-1, Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Han, Gyoonhee [Translational Research Center for Protein Function Control (TRCP), Department of Biotechnology and Department of Biomedical Sciences (WCU Program), Yonsei University, Seodaemun-gu, Seoul 120-752 (Korea, Republic of)] [Translational Research Center for Protein Function Control (TRCP), Department of Biotechnology and Department of Biomedical Sciences (WCU Program), Yonsei University, Seodaemun-gu, Seoul 120-752 (Korea, Republic of); Sim, Taebo, E-mail: tbsim@kist.re.kr [Chemical Kinomics Research Center, Korea Institute of Science and Technology, 39-1, Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of) [Chemical Kinomics Research Center, Korea Institute of Science and Technology, 39-1, Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); KU-KIST Graduate School of Converging Science and Technology, 145, Anam-ro, Seongbuk-gu, Seoul 136-713 (Korea, Republic of)

    2013-07-26

    Highlights: ēFAK signaling cascade in cancer cells is profoundly inhibited by methyl violet 2B. ēMethyl violet 2B identified by virtual screening is a novel allosteric FAK inhibitor. ēMethyl violet 2B possesses extremely high kinase selectivity. ēMethyl violet 2B suppresses strongly the proliferation of cancer cells. ēMethyl violet 2B inhibits focal adhesion, invasion and migration of cancer cells. -- Abstract: The focal adhesion kinase (FAK) signaling cascade in cancer cells was profoundly inhibited by methyl violet 2B identified with the structure-based virtual screening. Methyl violet 2B was shown to be a non-competitive inhibitor of full-length FAK enzyme vs. ATP. It turned out that methyl violet 2B possesses extremely high kinase selectivity in biochemical kinase profiling using a large panel of kinases. Anti-proliferative activity measurement against several different cancer cells and Western blot analysis showed that this substance is capable of suppressing significantly the proliferation of cancer cells and is able to strongly block FAK/AKT/MAPK signaling pathways in a dose dependent manner at low nanomolar concentration. Especially, phosphorylation of Tyr925-FAK that is required for full activation of FAK was nearly completely suppressed even with 1 nM of methyl violet 2B in A375P cancer cells. To the best of our knowledge, it has never been reported that methyl violet possesses anti-cancer effects. Moreover, methyl violet 2B significantly inhibited FER kinase phosphorylation that activates FAK in cell. In addition, methyl violet 2B was found to induce cell apoptosis and to exhibit strong inhibitory effects on the focal adhesion, invasion, and migration of A375P cancer cells at low nanomolar concentrations. Taken together, these results show that methyl violet 2B is a novel, potent and selective blocker of FAK signaling cascade, which displays strong anti-proliferative activities against a variety of human cancer cells and suppresses adhesion/migration/invasion of tumor cells.

  7. Cell-free synthesis system suitable for disulfide-containing proteins

    SciTech Connect (OSTI)

    Matsuda, Takayoshi; Cell-Free Technology Application Laboratory, RIKEN Innovation Center, 1-7-22 Suehiro-cho, Tsurumi, Yokohama 230-0045 ; Watanabe, Satoru; Kigawa, Takanori; Cell-Free Technology Application Laboratory, RIKEN Innovation Center, 1-7-22 Suehiro-cho, Tsurumi, Yokohama 230-0045; Department of Computational Intelligence and Systems Science, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8502

    2013-02-08

    Highlights: ? Cell-free synthesis system suitable for disulfide-containing proteins is proposed. ? Disulfide bond formation was facilitated by the use of glutathione buffer. ? DsbC catalyzed the efficient shuffling of incorrectly formed disulfide bonds. ? Milligram quantities of functional {sup 15}N-labeled BPTI and lysozyme C were obtained. ? Synthesized proteins were both catalytically functional and properly folded. -- Abstract: Many important therapeutic targets are secreted proteins with multiple disulfide bonds, such as antibodies, cytokines, hormones, and proteases. The preparation of these proteins for structural and functional analyses using cell-based expression systems still suffers from several issues, such as inefficiency, low yield, and difficulty in stable-isotope labeling. The cell-free (or in vitro) protein synthesis system has become a useful protein production method. The openness of the cell-free system allows direct control of the reaction environment to promote protein folding, making it well suited for the synthesis of disulfide-containing proteins. In this study, we developed the Escherichia coli (E. coli) cell lysate-based cell-free synthesis system for disulfide-containing proteins, which can produce sufficient amounts of functional proteins for NMR analyses. Disulfide bond formation was facilitated by the use of glutathione buffer. In addition, disulfide isomerase, DsbC, catalyzed the efficient shuffling of incorrectly formed disulfide bonds during the protein synthesis reaction. We successfully synthesized milligram quantities of functional {sup 15}N-labeled higher eukaryotic proteins, bovine pancreatic trypsin inhibitor (BPTI) and human lysozyme C (LYZ). The NMR spectra and functional analyses indicated that the synthesized proteins are both catalytically functional and properly folded. Thus, the cell-free system is useful for the synthesis of disulfide-containing proteins for structural and functional analyses.

  8. Report of early site suitability evaluation of the potential repository site at Yucca Mountain, Nevada; Yucca Mountain Site Characterization Project

    SciTech Connect (OSTI)

    Younker, J.L.; Andrews, W.B.; Fasano, G.A.; Herrington, C.C.; Mattson, S.R.; Murray, R.C. [Science Applications International Corp., Las Vegas, NV (United States); Ballou, L.B.; Revelli, M.A. [Lawrence Livermore National Lab., CA (United States); Ducharme, A.R.; Shephard, L.E. [Sandia National Labs., Albuquerque, NM (United States); Dudley, W.W.; Hoxie, D.T. [Geological Survey, Denver, CO (United States); Herbst, R.J.; Patera, E.A. [Los Alamos National Lab., NM (United States); Judd, B.R. [Decision Analysis Co., Portola Valley, CA (United States); Docka, J.A.; Rickertsen, L.D. [Weston Technical Associates, Washington, DC (United States)

    1992-01-01

    This study evaluated the technical suitability of Yucca Mountain, Nevada, as a potential site for a mined geologic repository for the permanent disposal of radioactive waste. The evaluation was conducted primarily to determine early in the site characterization program if there are any features or conditions at the site that indicate it is unsuitable for repository development. A secondary purpose was to determine the status of knowledge in the major technical areas that affect the suitability of the site. This early site suitability evaluation (ESSE) was conducted by a team of technical personnel at the request of the Associate Director of the US Department of Energy (DOE) Office of Geologic Disposal, a unit within the DOE`s Office of Civilian Radioactive Waste Management. The Yucca Mountain site has been the subject of such evaluations for over a decade. In 1983, the site was evaluated as part of a screening process to identify potentially acceptable sites. The site was evaluated in greater detail and found suitable for site characterization as part of the Environmental Assessment (EA) (DOE, 1986) required by the Nuclear Waste Policy Act of 1982 (NWPA). Additional site data were compiled during the preparation of the Site Characterization Plan (SCP) (DOE, 1988a). This early site suitability evaluation has considered information that was used in preparing both-documents, along with recent information obtained since the EA and SCP were published. This body of information is referred to in this report as ``current information`` or ``available evidence.``

  9. Organic synthesis as an effective approach to chemical, pharmaceutical, and biosynthetic investigations of natural products

    E-Print Network [OSTI]

    Suyama, Takashi L.

    2009-01-01

    acetate on the thiol and hydrolysis of the methyl ester were achieved in one step by treatment with lithium

  10. Top Spot is an intelligent advertising product that targets your most suitable listings to the right people

    E-Print Network [OSTI]

    Peters, Richard

    Top Spot is an intelligent advertising product that targets your most suitable listings to the right people by suburb and price. Top Spot listings appear at the top of the search results page estate agency both before and after signing up to Top Spot. 72% MORE VIEWS^ Advertising with Top Spot

  11. Second-Order Nonlinear Optical Active Calix[4]arene Polyimides Suitable for Frequency Doubling in the UV

    E-Print Network [OSTI]

    Kenis, Paul J. A.

    Second-Order Nonlinear Optical Active Calix[4]arene Polyimides Suitable for Frequency Doubling Received December 10, 1996X A new type of soluble calix[4]arene-based polyimides was prepared by reaction these prepolymers yield insoluble and transparent polyimides with a high Tg.3,7 Laboratory of Supramolecular

  12. Variable temperature, relative humidity ,,0%100%..., and liquid neutron reflectometry sample cell suitable for polymeric and biomimetic materials

    E-Print Network [OSTI]

    Barrett, Christopher

    suitable for polymeric and biomimetic materials T. A. Harroun Chalk River Laboratories, National Research Council, Chalk River, Ontario K0J 1J0, Canada and Department of Physics, University of Guelph, Guelph, Ontario N1G 2W1, Canada H. Fritzsche and M. J. Watson Chalk River Laboratories, National Research Council

  13. Suitability of Agent Technology for Military Command and Control in the Future Combat System Environment

    SciTech Connect (OSTI)

    Potok, TE

    2003-02-13

    The U.S. Army is faced with the challenge of dramatically improving its war fighting capability through advanced technologies. Any new technology must provide significant improvement over existing technologies, yet be reliable enough to provide a fielded system. The focus of this paper is to assess the novelty and maturity of agent technology for use in the Future Combat System (FCS). The FCS concept represents the U.S. Army's ''mounted'' form of the Objective Force. This concept of vehicles, communications, and weaponry is viewed as a ''system of systems'' which includes net-centric command and control (C{sup 2}) capabilities. This networked C{sup 2} is an important transformation from the historically centralized, or platform-based, C{sup 2} function since a centralized command architecture may become a decision-making and execution bottleneck, particularly as the pace of war accelerates. A mechanism to ensure an effective network-centric C{sup 2} capacity (combining intelligence gathering and analysis available at lower levels in the military hierarchy) is needed. Achieving a networked C{sup 2} capability will require breakthroughs in current software technology. Many have proposed the use of agent technology as a potential solution. Agents are an emerging technology, and it is not yet clear whether it is suitable for addressing the networked C{sup 2} challenge, particularly in satisfying battlespace scalability, mobility, and security expectations. We have developed a set of software requirements for FCS based on military requirements for this system. We have then evaluated these software requirements against current computer science technology. This analysis provides a set of limitations in the current technology when applied to the FCS challenge. Agent technology is compared against this set of limitations to provide a means of assessing the novelty of agent technology in an FCS environment. From this analysis we find that existing technologies will not likely be sufficient to meet the networked C{sup 2} requirements of FCS due to limitations in scalability, mobility, and security. Agent technology provides a number of advantages in these areas, mainly through much stronger messaging and coordination models. These models theoretically allow for significant improvements in many areas, including scalability, mobility, and security. However, the demonstration of such capabilities in an FCS environment does not currently exist, although a number of strong agent-based systems have been deployed in related areas. Additionally, there are challenges in FCS that neither current technology nor agent technology are particularly well suited, such as information fusion and decision support. In summary, we believe that agent technology has the capability to support most of the networked C{sup 2} requirements of FCS. However, we would recommend proof of principle experiments to verify the theoretical advantages of this technology in an FCS environment.

  14. 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.

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

    DOE Patents [OSTI]

    Martinez, Rodolfo A. (Santa Fe, NM); Alvarez, Marc A. (Santa Fe, NM); Silks, III, Louis A. (Los Alamos, NM); Unkefer, Clifford J. (Los Alamos, NM)

    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.

  16. Crystal structures of nitrato-4-bromo-2-[(2-hydroxyethylimino)methyl]phenolatoimidazolecopper and nitrato-4-chloro-2-[(2-Hydroxyethylimino)methyl]phenolatoimidazolecopper

    SciTech Connect (OSTI)

    Chumakov, Yu. M. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Tsapkov, V. I., E-mail: vtsapkov@gmail.com [Moldova State University (Moldova, Republic of); Antosyak, B. Ya. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Popovschi, L. G. [Moldova State University (Moldova, Republic of); Bocelli, G. [Institute of Materials for Electronics and Magnetism (Italy); Guly, A. P. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Palomares-Sanchez, S. A. [Autonomous University of San Luis Potosi (Mexico)

    2012-03-15

    Nitrato-4-bromo-2-[(2-hydroxyethylimino)methyl]phenolatoimidazolecopper and nitrato-4-chloro-2-[(2-hydroxyethylimino)methyl]phenolatoimidazolecopper were synthesized and studied by X-ray diffraction. The crystals are isostructural. The coordination polyhedron of the copper atom can be described as a distorted square pyramid whose basal plane is formed by the phenolic and alcoholic oxygen atoms and the nitrogen atom of the monodeprotonated tridentate azomethine molecule and the imidazole nitrogen atom. The apex of the copper polyhedron is occupied by the oxygen atom of the nitrato group. The complexes are linked together by hydrogen bonds with the participation of the nitrato groups to form a three-dimensional framework.

  17. 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) Ň, ? = 100.015(2)į, 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.

  18. 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.

  19. Acid strength and solvation effects on methylation, hydride transfer, and isomerization rates during catalytic homologation of C1 species

    E-Print Network [OSTI]

    Iglesia, Enrique

    Acid strength and solvation effects on methylation, hydride transfer, and isomerization rates,b, a Department of Chemical and Biomolecular Engineering, University of California at Berkeley, USA b Division, FAU, MFI) via methylation and hydride transfer steps that favor isobutane and triptane formation

  20. IDENTIFYING THE USAGE PATTERNS OF METHYL TERT-BUTYL ETHER (MTBE) AND OTHER OXYGENATES IN GASOLINE USING GASOLINE

    E-Print Network [OSTI]

    IDENTIFYING THE USAGE PATTERNS OF METHYL TERT-BUTYL ETHER (MTBE) AND OTHER OXYGENATES IN GASOLINE USING GASOLINE SURVEYS By Michael J. Moran, Rick M. Clawges, and John S. Zogorski U.S. Geological Survey 1608 Mt. View Rapid City, SD 57702 Methyl tert-butyl ether (MTBE) is commonly added to gasoline

  1. Ab initio study of styrene and -methyl styrene in the ground and in the two lowest excited singlet states

    E-Print Network [OSTI]

    Haas, Yehuda

    Ab initio study of styrene and -methyl styrene in the ground and in the two lowest excited singlet; accepted 28 March 1995 The structure and vibrational frequencies of styrene and trans- -methyl styrene treating molecules as large as styrene. High resolution fluorescence excitation and resonant en- hanced

  2. Oxidation Kinetics of Pure and Blended Methyl Octanoate/n-Nonane/Methylcyclohexane: Measurements and Modeling of OH*/CH* Chemiluminescence, Ignition Delay Times and Laminar Flame Speeds†

    E-Print Network [OSTI]

    Rotavera, Brandon Michael

    2012-07-16

    trends between methyl octanoate and n-nonane exhibited overlap at temperatures below 1350 K, below which the trends diverged with methyl octanoate having shorter ignition delay times. Similar behavior was observed under fuel-rich conditions, yet...

  3. Accurate Computer Simulation of Phase Equilibrium for Complex Fluid Mixtures. Application to Binaries Involving Isobutene, Methanol, Methyl tert-Butyl Ether, and

    E-Print Network [OSTI]

    Lisal, Martin

    to Binaries Involving Isobutene, Methanol, Methyl tert-Butyl Ether, and n-Butane Martin Liīsal,*,, William R + methyl tert-butyl ether (MTBE) and the binaries formed by methanol with isobutene, MTBE, and n

  4. The effects of a steam-electric generating plant on suitability of adjacent estuarine waters for growth of phytoplankton†

    E-Print Network [OSTI]

    Kelsey, John Allen

    1974-01-01

    by fluoromet- rically measuring the growth of Skeletonema costatum and naturally occurring mixed phytoplankton populations in an artificial seawater medium (NH-15), filter sterilized sample water and a 1:1 mixture of the NH-15 and sterile sample medium... AND METHODS 14 Hydrological Method . Sampling and Sample Treatment Glassware Preparation Method Standing Crop Measurement Method Primary Production Rate Measurement Method Medium Suitability Assay Method 14 14 15 16 17 19 RESULTS. 24 Hydrological...

  5. Electronic structure of porphyrin-based metal-organic frameworks and their suitability for solar fuel production photocatalysis

    E-Print Network [OSTI]

    Hamad, Said; Aziz, Alex G; Ruiz-Salvador, A Rabdel; Calero, Sofia; Grau-Crespo, Ricardo

    2015-01-01

    Metal-organic frameworks (MOFs) can be exceptionally good catalytic materials thanks to the presence of active metal centres and a porous structure that is advantageous for molecular adsorption and confinement. We present here a first-principles investigation of the electronic structure of a family of MOFs based on porphyrins connected through phenyl-carboxyl ligands and AlOH species, in order to assess their suitability for the photocatalysis of fuel production reactions using sunlight.

  6. Methylation patterns and mathematical models reveal dynamics of stem cell turnover in the human colon

    E-Print Network [OSTI]

    renewal while the daughter stem cell remains in the niche; each stem cell is ``immortal'' under this modelCommentary Methylation patterns and mathematical models reveal dynamics of stem cell turnover in diseases such as cancer, it is essential to understand the process of somatic cell development and renewal

  7. Intraindividual Variability in Arsenic Methylation in a U.S. Population

    E-Print Network [OSTI]

    California at Berkeley, University of

    , large interindividual variations exist (18). For example, in a study in Chile, the proportion of urinary intraindividual variation in methylation capacity in 81 subjects with low to moderate arsenic exposures. Multiple (ICC) for the proportion of urinary arsenic as inorganic arsenic, monomethylarsonate

  8. he increasing frequency of detection of the widely used gasoline additive methyl tert-

    E-Print Network [OSTI]

    T he increasing frequency of detection of the widely used gasoline additive methyl tert- butyl, the September 15, 1999, Report of the Blue Ribbon Panel on Oxygenates in Gasoline (1) states that between 5 with large releases (e.g., LUFTs). Unprecedented growth in use Use of MTBE as a gasoline additive began

  9. Thermochemistry of radicals formed by hydrogen abstraction from 1-butanol, 2-methyl-1-propanol, and butanal

    E-Print Network [OSTI]

    Truhlar, Donald G

    , and butanal Ewa Papajak, Prasenjit Seal, Xuefei Xu, and Donald G. Truhlar Citation: J. Chem. Phys. 137, 104314 abstraction from 1-butanol, 2-methyl-1-propanol, and butanal Ewa Papajak, Prasenjit Seal, Xuefei Xu- propanol, and butanal. Electronic structure calculations for all conformers of the radicals were car- ried

  10. 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.

  11. Supplemental Data S1 The SRA Methyl-Cytosine-Binding Domain

    E-Print Network [OSTI]

    Jacobsen, Steve

    of 4 CG, 7 CNG, and 33 CNN residues. Ten to twelve independent clones were sequenced, and the average number of methylated CG, CNG, or CNN was deter- mined (see Table S1 for all primer sequences). At AtCOPIA4, there are a total of 25 CG, 18 CNG, and 116 CNN residues. Seven to twelve independent clones were

  12. Partial demethylation of oligogalacturonides by pectin methyl esterase 1 is required for eliciting defence

    E-Print Network [OSTI]

    MŠlaga, Universidad de

    defence responses in wild strawberry (Fragaria vesca) Sonia Osorio1 , Cristina Castillejo1, , Miguel A methyl esterase FaPE1 in the wild strawberry Fragaria vesca. Pectin from transgenic ripe fruits differed esterification is necessary to elicit defence responses in strawberry. The transgenic F. vesca lines had

  13. Conversion of methanol to hydrocarbons III. Methylation, ethylation, and propylation of benzene with methanol

    SciTech Connect (OSTI)

    Kaeding, W.W. (Mobil Chemical Company, Princeton, NJ (USA))

    1988-12-01

    Methanol is converted to hydrocarbons (and water) over HZSM-5 zeolite catalyst in the presence of 1-8M excesses of benzene. Methanol products are primarily aliphatic hydrocarbon gases and C{sub 1} to C{sub 4} aliphatic substituents on the aromatic ring. Methylation of benzene to produce toluene increases as the feed ratio of methanol/benzene decreases. Mild conditions minimize aromatic ring production from methanol. Molar distribution of the methylene group (-CH{sub 2}-) in the product, is tabulated according to carbon number. Methane plus methyl substituents on the aromatic ring measure C{sub 1}; ethane, ethylene, and ethyl ring substituents measure C{sub 2}, etc. At temperatures up to 325 C, methylene distribution in the product is methyl = ethyl > propyl {much gt} butyl. Above 350 C, methyl {much gt} ethyl > propyl. This distribution of the methylene group, under mild conditions, may be a measure of the early production of light olefins, from methanol, within the zeolite pores.

  14. Hybrid Energy Cell for Degradation of Methyl Orange by Self-Powered Electrocatalytic Oxidation

    E-Print Network [OSTI]

    Wang, Zhong L.

    -effective, renewable and green energy sources to meet the global energy demands of the future is one of the most urgentHybrid Energy Cell for Degradation of Methyl Orange by Self- Powered Electrocatalytic Oxidation Ya of superoxidative hydroxyl radical on the anode. Here, we report a hybrid energy cell that is used for a self

  15. Solvent Effects on Methyl Transfer Reactions. 2. The Reaction of Amines with Trimethylsulfonium Salts

    E-Print Network [OSTI]

    Sklenak, Stepan

    Solvent Effects on Methyl Transfer Reactions. 2. The Reaction of Amines with Trimethylsulfonium the effect of cyclohexane and dimethyl sulfoxide as the solvent on the energy changes. The effect of water as the solvent was studied using the Monte Carlo free energy perturbation method. The reaction with both ammonia

  16. Steric Effects on Silene Reactivity. The Effects of ortho-Methyl Substituents on the Kinetics and

    E-Print Network [OSTI]

    Leigh, William J.

    , Tamara C. S. Pace, and William J. Leigh* Department of Chemistry, McMaster University, 1280 Main Street,1-diarylsilenes bearing ortho-methyl substituents in various numbers and positions on the aryl rings. The five in systems bearing simple, nonbulky alkyl or aryl substit- uents at one or both atoms of the MdC bond;1 thus

  17. Active transport, substrate specificity, and methylation of Hg(II) in anaerobic bacteria

    SciTech Connect (OSTI)

    Schasfer, Jeffra [Princeton University; Rocks, Sara [Princeton University; Zheng, Wang [ORNL; Liang, Liyuan [ORNL; Gu, Baohua [ORNL; Morel, Francois M [ORNL

    2011-01-01

    The formation of methylmercury (MeHg), which is biomagnified in aquatic food chains and poses a risk to human health, is effected by some iron- and sulfate-reducing bacteria (FeRB and SRB) in anaerobic environments. However, very little is known regarding the mechanism of uptake of inorganic Hg by these organisms, in part because of the inherent difficulty in measuring the intracellular Hg concentration. By using the FeRB Geobacter sulfurreducens and the SRB Desulfovibrio desulfuricans ND132 as model organisms, we demonstrate that Hg(II) uptake occurs by active transport. We also establish that Hg(II) uptake by G. sulfurreducens is highly dependent on the characteristics of the thiols that bind Hg(II) in the external medium, with some thiols promoting uptake and methylation and others inhibiting both. The Hg(II) uptake system of D. desulfuricans has a higher affinity than that of G. sulfurreducens and promotes Hg methylation in the presence of stronger complexing thiols. We observed a tight coupling between Hg methylation and MeHg export from the cell, suggesting that these two processes may serve to avoid the build up and toxicity of cellular Hg. Our results bring up the question of whether cellular Hg uptake is specific for Hg(II) or accidental, occurring via some essential metal importer. Our data also point at Hg(II) complexation by thiols as an important factor controlling Hg methylation in anaerobic environments.

  18. Polymer surface and thin film vibrational dynamics of poly,,methyl methacrylate..., polybutadiene,

    E-Print Network [OSTI]

    Sibener, Steven

    Polymer surface and thin film vibrational dynamics of poly,,methyl methacrylate..., polybutadiene atom scattering has been used to investigate the vibrational dynamics at the polymer vacuum interface polymers. The broad multiphonon feature that arises in the inelastic scattering spectra at surface

  19. Highly Selective Condensation of Biomass-Derived Methyl Ketones as a Source of Aviation Fuel

    E-Print Network [OSTI]

    Toste, Dean

    Highly Selective Condensation of Biomass-Derived Methyl Ketones as a Source of Aviation Fuel Eric R,[b] and Alexis T. Bell*[a] Introduction Aviation fuels must meet a number of stringent specifications, the most by branched and cyclic hydrocar- bons, and, consequently, these types of fuels are not likely to be displaced

  20. Modeling the environmental suitability of recreational trails in the Sam Houston National Forest: an application of spatial technologies and the universal soil loss equation†

    E-Print Network [OSTI]

    Holzer, Damon Michael

    1997-01-01

    high suitability to unsuitable. These results were based on a combination of environmental characteristics which are related to erosion, including rainfall intensity, slope, soil type, vegetation type, and management input. After the suitability... between measured erosion in different risk zones, then the model could help classify the suitability of recreational land based on its resistance to erosion. If found successful, this procedure could provide natural resource and recreational managers...

  1. 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.

  2. Recommendation by the Secretary of Energy Regarding the Suitability of the Yucca Mountain Site for a Repository Under the Nuclear Waste Policy Act of 1982

    Office of Energy Efficiency and Renewable Energy (EERE)

    Recommendation by the Secretary of Energy Regarding the Suitability of the Yucca Mountain Site for a Repository Under the Nuclear Waste Policy Act of 1982

  3. Method of making composition suitable for use as inert electrode having good electrical conductivity and mechanical properties

    DOE Patents [OSTI]

    Ray, S.P.; Rapp, R.A.

    1986-04-22

    An improved inert electrode composition is suitable for use as an inert electrode in the production of metals such as aluminum by the electrolytic reduction of metal oxide or metal salt dissolved in a molten salt bath. The composition comprises one or more metals or metal alloys and metal compounds which may include oxides of the metals comprising the alloy. The alloy and metal compounds are interwoven in a network which provides improved electrical conductivity and mechanical strength while preserving the level of chemical inertness necessary for such an electrode to function satisfactorily. 8 figs.

  4. Evaluation of inter-laminar shear strength of GFRP composed of bonded glass/polyimide tapes and cyanate-ester/epoxy blended resin for ITER TF coils

    SciTech Connect (OSTI)

    Hemmi, T.; Matsui, K.; Koizumi, N. [Japan Atomic Energy Agency, Fusion Research and Development Directorate 801-1 Mukoyama, Naka, Ibaraki, 311-0193 (Japan); Nishimura, A. [National Institute for Fusion Science, Fusion Engineering Research Center 322-6 Oroshi-cho, Toki, Gifu, 509-5292 (Japan); Nishijima, S. [Osaka University, Division of Sustainable Energy and Environmental Engineering 1-1 Yamadaoka, Suita, Osaka, 565-0871 (Japan); Shikama, T. [Tohoku University, Institute for Materials Research 2-1-1 Katahira, Aoba, Sendai, Miyagi, 980-8577 (Japan)

    2014-01-27

    The insulation system of the ITER TF coils consists of multi-layer glass/polyimide tapes impregnated a cyanate-ester/epoxy resin. The ITER TF coils are required to withstand an irradiation of 10 MGy from gamma-ray and neutrons since the ITER TF coils is exposed by fast neutron (>0.1 MeV) of 10{sup 22} n/m{sup 2} during the ITER operation. Cyanate-ester/epoxy blended resins and bonded glass/polyimide tapes are developed as insulation materials to realize the required radiation-hardness for the insulation of the ITER TF coils. To evaluate the radiation-hardness of the developed insulation materials, the inter-laminar shear strength (ILSS) of glass-fiber reinforced plastics (GFRP) fabricated using developed insulation materials is measured as one of most important mechanical properties before/after the irradiation in a fission reactor of JRR-3M. As a result, it is demonstrated that the GFRPs using the developed insulation materials have a sufficient performance to apply for the ITER TF coil insulation.

  5. Mild and General Palladium-Catalyzed Synthesis of Methyl Aryl Ethers Enabled by the Use of a Palladacycle Precatalyst

    E-Print Network [OSTI]

    Cheung, Chi Wai

    A general method for the Pd-catalyzed coupling of methanol with (hetero)aryl halides is described. The reactions proceed under mild conditions with a wide range of aryl and heteroaryl halides to give methyl aryl ethers in ...

  6. Daphnetin Methylation by a Novel O-Methyltransferase Is Associated with Cold Acclimation and Photosystem II Excitation

    E-Print Network [OSTI]

    Sarhan, Fathey

    , University of Western Ontario, London, Ontario N6A 5B7, Canada In plants, O-methylation of phenolic compounds biosynthesis have been identified. We report here the molecular and biochemical characterization of a gene

  7. Feasibility of reconstructing paleoatmospheric records of selected alkanes, methyl halides, and sulfur gases from Greenland ice cores

    E-Print Network [OSTI]

    Aydin, M.; Williams, M. B; Saltzman, E. S

    2007-01-01

    Hemispheric air. 4.1.3. n-Butane [ 26 ] n-C 4 H 10 levels inH 6 ; propane, C 3 H 8 ; n-butane, n-C 4 H 10 ), two methyl

  8. Experimental investigation of size effect on thermal conductivity for ultra-thin amorphous poly(methyl methacrylate) (PMMA) films†

    E-Print Network [OSTI]

    Kim, Ick Chan

    2009-05-15

    An investigation was conducted to determine whether a ďsize effectĒ phenomenon for one particular thermophysical property, thermal conductivity, actually exists for amorphous poly(methyl methacrylate) (PMMA) films with thicknesses ranging from 40 nm...

  9. Infra red spectroscopy, flash pyrolysis, thermally assisted hydrolysis and methylation (THM) in the presence of tetramethylammonium hydroxide

    E-Print Network [OSTI]

    Infra red spectroscopy, flash pyrolysis, thermally assisted hydrolysis and methylation (THM to sporopollenin or algaenan. This is in agreement with flash pyrolysis≠gas chromatography≠mass spectrometry (py

  10. 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.

  11. 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).

  12. 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.

  13. 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.; OíLeary, 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 Į}-point and K{sup Į}-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.

  14. The Regulation of Dendritic Spine Plasticity by EphB and N-methyl-D-aspartate Receptors Through Spatial Control Over Cofilin Activity in Mature Hippocampal Neurons

    E-Print Network [OSTI]

    Pontrello, Crystal G.

    2010-01-01

    Plasticity by EphB and N-methyl-D-aspartate Receptors Through Spatial Control Over Cofilin Activity in Mature Hippocampal Neurons by Crystal

  15. A 0.042 mm^2 programmable biphasic stimulator for cochlear implants suitable for a large number of channels

    E-Print Network [OSTI]

    Ngamkham, W; Serdijn, W A; Bes, C J; Briaire, J J; Frijns, J H M

    2015-01-01

    This paper presents a compact programmable biphasic stimulator for cochlear implants. By employing double-loop negative feedback, the output impedance of the current generator is increased, while maximizing the voltage compliance of the output transistor. To make the stimulator circuit compact, the stimulation current is set by scaling a reference current using a two stage binary-weighted transistor DAC (comprising a 3 bit high-voltage transistor DAC and a 4 bit low-voltage transistor DAC). With this structure the power consumption and the area of the circuit can be minimized. The proposed circuit has been implemented in AMS 0.18um high-voltage CMOS IC technology, using an active chip area of about 0.042mm^2. Measurement results show that proper charge balance of the anodic and cathodic stimulation phases is achieved and a dc blocking capacitor can be omitted. The resulting reduction in the required area makes the proposed system suitable for a large number of channels.

  16. Storage effects on desorption efficiencies of methyl ethyl ketone and styrene collected on activated charcoal†

    E-Print Network [OSTI]

    Dommer, Richard Alvin

    1978-01-01

    STORAGE EFf ECTS ON DESORP'TIC'N EFFICIENCIES OF METHYL ETHYL KF10NE AND STYRENE COLLECTED ON ACTIVATED CHARCOAL A Thesis by RICHARD ALVIN DONiNiER Approved as to style and content by: ( ha1ris a of Coll'Jn1 t tee Nay l978 QQZSGH ABSTRACT... Storage Effects on Desorption Efficiercies of i&lethyl Ethyl Ketone and Styrene Colleci-. ed on Activated Charcoal (liay 1978) Richard A. Dommer, B. S. , Central !'iichigan D&nivers ity Directed by: Dr, Ralph J. Vernon The effects on the desorption...

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

    SciTech Connect (OSTI)

    Trachsel, Maria A.; Lobsiger, Simon; Schšr, 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 32†252 cm{sup ?1} exhibits methyl torsional subbands that originate from the 0A{sub 1}{sup ??} (l = 0) and 1E{sup ?} (l = Ī1) 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.

  18. 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.

  19. Experimental study of the oxidation of large surrogates for diesel and biodiesel fuels

    E-Print Network [OSTI]

    Paris-Sud XI, Universitť de

    Experimental study of the oxidation of large surrogates for diesel and biodiesel fuels Mohammed of the oxidation of two blend surrogates for diesel and biodiesel fuels, n-decane/n-hexadecane and n-alkanes and methyl esters. Keywords: Oxidation; Diesel; Biodiesel; Methyl esters; n-Decane; n-Hexadecane; Methyl

  20. Evaluating the Suitability for CO2 Storage at the FutureGen 2.0 Site, Morgan County, Illinois, USA

    SciTech Connect (OSTI)

    Bonneville, Alain; Gilmore, Tyler J.; Sullivan, E. C.; Vermeul, Vincent R.; Kelley, Mark E.; White, Signe K.; Appriou, Delphine; Bjornstad, Bruce N.; Gerst, Jacqueline L.; Gupta, Neeraj; Horner, Jacob A.; McNeil, Caitlin; Moody, Mark A.; Rike, William M.; Spane, Frank A.; Thorne, Paul D.; Zeller, Evan R.; Zhang, Z. F.; Hoffman, Jeffrey; Humphreys, Kenneth K.

    2013-08-05

    FutureGen 2.0 site will be the first near-zero emission power plant with fully integrated long-term storage in a deep, non-potable saline aquifer in the United States. The proposed FutureGen 2.0 CO2 storage site is located in northeast Morgan County, Illinois, U.S.A., forty-eight kilometres from the Meredosia Energy Center where a large-scale oxy-combustion demonstration will be conducted. The demonstration will involve > 90% carbon capture, which will produce more than one million metric tons (MMT) of CO2 per year. The CO2 will be compressed at the power plant and transported via pipeline to the storage site. To examine CO2 storage potential of the site, a 1,467m characterization well (FGA#1) was completed in December 2011. The target reservoir for CO2 storage is the Mt. Simon Sandstone and Elmhurst Sandstone Member of the lower Eau Claire Formation for a combined thickness of 176 m. Confining beds of the overlying Lombard and Proviso Members (upper Eau Claire Formation) reach a thickness of 126 m. Characterization of the target injection zone and the overlying confining zone was based on wellbore data, cores, and geophysical logs, along with surface geophysical (2-D seismic profiles, magnetic and gravity), and structural data collected during the initial stage of the project . Based on this geological model, 3D simulations of CO2 injection and redistribution were conducted using STOMP-CO2, a multiphase flow and transport simulator. After this characterization stage, it appears that the injection site is a suitable geologic system for CO2 sequestration and that the injection zone is sufficient to receive up to 33 MMT of CO2 at a rate of 1.1 MMT/yr. GHGT-11 conference

  1. Down-regulation of gibberellic acid in poplar has negligible effects on host-plant suitability and insect pest response

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

    Buhl, Christine; Strauss, Steven H.; Lindroth, Richard L.

    2015-02-01

    Abstract Endogenous levels and signaling of gibberellin plant hormones such as gibberellic acid (GA) have been genetically down-regulated to create semi-dwarf varieties of poplar. The potential benefits of semi-dwarf stature include reduced risk of wind damage, improved stress tolerance, and improved wood quality. Despite these benefits, modification of growth traits may have consequences for non-target traits that confer defense against insect herbivores. According to the growth-differentiation balance hypothesis, reductions in growth may shift allocation of carbon from growth to chemical resistance traits, thereby altering plant defense. To date, host-plant suitability and pest response have not been comprehensively evaluated in GA down-regulated plants. We quantified chemical resistance and nitrogen (an index of protein) in GA down-regulated and wild-type poplar (Populus alba ◊ P. tremula) genotypes. We also evaluated performance of both generalist (Lymantria dispar) and specialist (Chrysomela scripta) insect pests reared on these genotypes. Our evaluation of resistance traits in four GA down-regulated genotypes revealed increased phenolic glycosides in one modified genotype and reduced lignin in two modified genotypes relative to the non-transgenic wild type. Nitrogen levels did not vary significantly among the experimental genotypes. Generalists reared on the four GA down-regulated genotypes exhibited reduced performance on only one modified genotype relative to the wild type. Specialists, however, performed similarly across all genotypes. Results from this study indicate that although some non-target traits varied among GA down-regulated genotypes, the differences in poplar pest susceptibility were modest and highly genotype-specific.

  2. Down-regulation of gibberellic acid in poplar has negligible effects on host-plant suitability and insect pest response

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

    Buhl, Christine; Strauss, Steven H.; Lindroth, Richard L.

    2015-01-06

    Abstract Endogenous levels and signaling of gibberellin plant hormones such as gibberellic acid (GA) have been genetically down-regulated to create semi-dwarf varieties of poplar. The potential benefits of semi-dwarf stature include reduced risk of wind damage, improved stress tolerance, and improved wood quality. Despite these benefits, modification of growth traits may have consequences for non-target traits that confer defense against insect herbivores. According to the growth-differentiation balance hypothesis, reductions in growth may shift allocation of carbon from growth to chemical resistance traits, thereby altering plant defense. To date, host-plant suitability and pest response have not been comprehensively evaluated in GAmore†Ľdown-regulated plants. We quantified chemical resistance and nitrogen (an index of protein) in GA down-regulated and wild-type poplar (Populus alba ◊ P. tremula) genotypes. We also evaluated performance of both generalist (Lymantria dispar) and specialist (Chrysomela scripta) insect pests reared on these genotypes. Our evaluation of resistance traits in four GA down-regulated genotypes revealed increased phenolic glycosides in one modified genotype and reduced lignin in two modified genotypes relative to the non-transgenic wild type. Nitrogen levels did not vary significantly among the experimental genotypes. Generalists reared on the four GA down-regulated genotypes exhibited reduced performance on only one modified genotype relative to the wild type. Specialists, however, performed similarly across all genotypes. Results from this study indicate that although some non-target traits varied among GA down-regulated genotypes, the differences in poplar pest susceptibility were modest and highly genotype-specific.ę†less

  3. 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)

  4. 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.

  5. On the Interaction of Methyl Azide (CH3N3) Ices with Ionizing Radiation: Formation of Methanimine (CH2NH), Hydrogen Cyanide (HCN), and Hydrogen Isocyanide (HNC)

    E-Print Network [OSTI]

    Kaiser, Ralf I.

    On the Interaction of Methyl Azide (CH3N3) Ices with Ionizing Radiation: Formation of Methanimine in solar system analogue ices. Introduction Methyl azide (CH3N3) is an organic compound suggested to be present in Titan's atmosphere.1 To date, the Voyager Infrared Radiometer and Infrared Spectrometer (IRIS

  6. In-tube heat transfer and pressure drop of R-134a and ester lubricant mixtures in a smooth tube and a micro-fin tube. Part 1: Evaporation

    SciTech Connect (OSTI)

    Eckels, S.J.; Doerr, T.M.; Pate, M.B.

    1994-12-31

    In-tube heat transfer coefficients and pressure drops during evaporation are reported for mixtures of refrigerant R-134a and a penta erythritol ester mixed-acid lubricant. The ester lubricant was tested at viscosities of 169 SUS and 369 SUS over a lubricant concentration range of 0% to 5% in both a smooth tube and a micro-fine tube. The average saturation temperature used was 1 C (33.8 F). Measurements were taken for the refrigerant-lubricant mixture over a mass flux range of 85 kg/m{sup 2}{center_dot}s (62,700 lb/ft{sup 2}{center_dot}h) to 375 kg/m{sup 2}{center_dot}s (276,640 lb/ft{sup 2}{center_dot}h) in test tubes with an outer diameter of 9.52 mm (3/8 in.). Heat transfer coefficients during evaporation increased at low concentrations of the 169-SUS ester lubricant and then dropped off at high lubricant concentrations in both the smooth tube and the micro-fin tube. The higher viscosity 369-SUS lubricant decreased the heat transfer coefficients in both tubes over the range of lubricant concentrations tested. Pressure drops during evaporation increased in both the smooth tube and the micro-fin tube with the addition of ester lubricant of either viscosity. The heat transfer coefficients for the micro-fin tube were 100% to 50% higher than those for the smooth tube, with the higher values occurring at low mass fluxes. Pressure drops in the micro-fin tube were 10% to 20% higher than those in the smooth tube.

  7. Reactions of methyl groups on a non-reducible metal oxide: The reaction of iodomethane on stoichiometric ?-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 ?-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. Themore†Ľliberated 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.ę†less

  8. Heat transfer coefficients and pressure drops for R-134a and an ester lubricant mixture in a smooth tube and a micro-fin tube

    SciTech Connect (OSTI)

    Eckels, S.J.; Doerr, T.M.; Pate, M.B.

    1998-10-01

    This paper reports average heat transfer coefficients and pressure drops during the evaporation and condensation of mixtures of R-134a and a 150 SUS penta erythritol ester branched-acid lubricant. The smooth tube and micro-fin tube tested in this study had outer diameters of 9.52 mm (3/8 in.). The micro-fin tube had 60 fins, a fin height of 0.2 mm (0.008 in), and a spiral angle of 18{degree}. The objective of this study is to evaluate the effectiveness of the micro-fin tube with R-134a and to determine the effect of circulating lubricant. The experimental results show that the micro-fin tube has distinct performance advantages over the smooth tube. For example, the average heat transfer coefficients during evaporation and condensation in the micro-fin tube were 50--200% higher than those for the smooth tube, while the average pressure drops were on average only 10--50% higher. The experimental results indicate that the presence of a lubricant degrades the average heat transfer coefficients during both evaporation and condensation at high lubricant concentrations. Pressure drops during evaporation increased with the addition of a lubricant in both tubes. For condensation, pressure drops were unaffected by the addition of a lubricant.

  9. Phase transition from focal conic to cubic smectic blue phase in partially fluorinated cyano-phenyl alkyl benzoate ester doped with ultrahigh twisting power chiral dopant

    E-Print Network [OSTI]

    Prasenjit Nayek; Sebastian Gauza; Guoqiang Li

    2015-10-28

    Blue phase liquid crystal (BPLC) has important applications in adaptive lenses and phase modulators due to its polarization-independent property. During our efforts for development of the new materials, we found a novel phenomenology of phase transition, from focal conic smectic to smectic blue phase in a partially fluorinated cyanophenyl alkyl benzoate ester based nematic liquid crystal (LCM-5773) doped by ultra-high twisting power [H.T.P~160 um^-1] chiral dopant (R5011/3 wt%). Polarized optical microscopy (POM) investigations revealed focal conic and fan-shaped textures typical for columnar mesophases. These focal conic domains (FCDs) are squeezed under electric field and finally at a critical electric field they undergo a dark state. When the electric field is withdrawn, the FCDs are regrown in a one dimensional array with smaller domain size. Interestingly, we have observed the domain size of the FCDs can grow several times by decreasing the cooling rate (0.02 degrees(C)/min.) ten times without any change in the phase sequence. In blue phase (BP), we have observed curved platelet texture and grain boundaries filled by small platelets, which is completely different from conventional cholesteric BP. The blue phase platelet size (PLS) also increases significantly at low cooling rates. The thermal control of FCD and PLS size has increasing demand for the construction of devices with optimal performances.

  10. Current Biology, Vol. 15, 154159, January 26, 2005, 2005 Elsevier Ltd All rights reserved. DOI 10.1016/j.cub.2005.01.008 DNA Methylation Profiling Identifies

    E-Print Network [OSTI]

    Jacobsen, Steve

    Summary the Msp I restriction endonuclease, which cleaves CCGG and is blocked by CNG methylation. We had-typically found in CG, CNG, and asymmetric contexts. ferase. To identify other classes of sites, we have perreplication. Methylation of CNG and asymmetric sites [4≠6]. Two methyl-sensitive restriction

  11. High-energy mechanical milling of poly(methyl methacrylate), polyisoprene and poly(ethylene-alt-propylene)

    E-Print Network [OSTI]

    High-energy mechanical milling of poly(methyl methacrylate), polyisoprene and poly November 1999; accepted 5 November 1999 Abstract High-energy mechanical milling has been performed on poly and subsequently narrows with increasing milling time. Solid-state mechanical milling promotes comparable decreases

  12. Transparent Poly(methyl methacrylate)/Single-Walled Carbon Nanotube (PMMA/SWNT) Composite Films with Increased

    E-Print Network [OSTI]

    Harmon, Julie P.

    to conventional polymer composites due to the stronger interac- tions between polymer and filler phases. CarbonTransparent Poly(methyl methacrylate)/Single-Walled Carbon Nanotube (PMMA/SWNT) Composite Films Meyyappan, Timofey G. Gerasimov, and Julie P. Harmon* 1. Introduction Polymer nanocomposites are a novel

  13. Class I Chitinase and -1,3-Glucanase Are Differentially Regulated by Wounding, Methyl Jasmonate, Ethylene, and

    E-Print Network [OSTI]

    Bradford, Kent

    Class I Chitinase and -1,3-Glucanase Are Differentially Regulated by Wounding, Methyl Jasmonate of Vegetable Crops, University of California, Davis, California 95616≠8631 Class I chitinase (Chi9) and -1 that class I -1,3-glucanase (EC 3.2.1.39) mRNA accumu- lation, enzyme activity, and protein content in

  14. THE JOURNAL OF CHEMICAL PHYSICS 138, 054301 (2013) Photodissociation dynamics of the methyl perthiyl radical at 248 nm

    E-Print Network [OSTI]

    Neumark, Daniel M.

    2013-01-01

    -phase chemistry and photochemistry of alkyl disulfides, with dimethyl disulfide (DMDS) at the forefront of many investigations.3≠17 Depending on the wave- length used, the competing dissociation pathways for DMDS observed both the methyl perthiyl radical and S2 fragments from the 193 nm photodis- sociation of DMDS

  15. Analysis of 14-3-3? methylation and associated changes in gene expression and function in colorectal carcinoma†

    E-Print Network [OSTI]

    Roberts, Kirsty Anne

    2010-01-01

    that overexpression of 14-3-3? in SW480 cells (14-3-3? methylated) delayed the apoptotic response to UV-C, compared to control SW480 cells. This suggests that 14-3-3? may protect colorectal cancer cells from apoptosis. MTT assays showed that overexpression of 14-3-3?...

  16. A STUDY OF FUNDAMENTAL REACTION PATHWAYS FOR TRANSITION METAL ALKYL COMPLEXES. I. THE REACTION OF A NICKEL METHYL COMPLEX WITH ALKYNES. II. THE MECHANISM OF ALDEHYDE FORMATION IN THE REACTION OF A MOLYBDENUM HYDRIDE WITH MOLYBDENUM ALKYLS

    SciTech Connect (OSTI)

    Huggins, John Mitchell

    1980-06-01

    I. This study reports the rapid reaction under mild conditions of internal or terminal alkynes with methyl (acetyl~ acetonato) (triphenylphosphine) nickel (1) in either aromatic or ether solvents. In all cases vinylnickel products 2 are formed by insertion of the alkyne into the nickel=methyl bond. These complexes may be converted into a variety of organic products (e.g. alkenes, esters, vinyl halides) by treatment with appropriate reagents. Unsymmetrical alkynes give selectively the one regioisomer with the sterically largest substituent next to the nickel atom. In order to investigate the stereochemistry of the initial insertion, a x-ray diffraction study of the reaction of 1 with diphenylacetylene was carried out. This showed that the vinylnickel complex formed by overall trans insertion was the product of the reaction. Furthermore, subsequent slow isomerization of this complex, to a mixture of it and the corresponding cis isomer, demonstrated that this trans addition product is the kinetic product of the reaction. In studies with other alkynes, the product of trans addition was not always exclusively (or even predominantly) formed, but the ratio of the stereoisomers formed kinetically was substantially different from the thermodynamic ratio. Isotope labeling, added phosphine, and other experiments have allowed us to conclude that the mechanism of this reaction does involve initial cis addition. However, a coordinatively unsaturated vinylnickel complex is initially formed which can undergo rapid, phosphine-catalyzed cis-trans isomerization in competition with its conversion to the isolable phosphine-substituted kinetic reaction products. II. The reaction of CpMo(CO){sub 3}H (1a) with CpMo(CO){sub 3}R (2, R= CH{sub 3}, C{sub 2}H{sub 5}) at 50{degrees} C in THF gives the aldehyde RCHO and the dimers [CpMo(CO){sub 3}]{sub 2} (3a) and [CpMo(CO){sub 2}]{sub 2} (4a). Labeling one of the reactants with a methylcyclopentadienyl ligand it was possible to show that the mixed dimers MeCpMo(CO){sub 3}-(CO){sub 3}MoCp (3b) and MeCpMo(CO){sub 2}{triple_bond}(CO){sub 2}MoCp (4b) are the predominant kinetic products of the reaction. Additionally labeling the carbonyl ligands of 1a with {sup 13}CO led to the conclusion that all three of the carbonyl ligands in 1a end up in the tetracarbonyl dimers 4a if the reaction is carried out under a continuous purge of argon Trapping studies failed to find any evidence for the intermediacy of either [CpMo(CO){sub 3}]{sup -} or [CpMo(CO){sub 3}]{sup +} in this reaction. A mechanism is proposed that involves the initial migration of the alkyl ligand in 2 to CO forming an unsaturated acyl complex which reacts with 1a to give a binuclear complex containing a three center-two electron Mo-H-Mo bond. This complex then selectively looses a carbonyl from the acyl molybdenum, migrates the hydride to that same metal, and forms a metal-metal bond. This binuclear complex with the hydride and acyl ligands on one metal reductively eliminates aldehyde, and migrates a carbonyl ligand, to give 4a directly. The other product 3a is formed by addition of two molecules of free CO to 4a.

  17. 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.

  18. 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.

  19. 3-Methyl-1,2-BN-Cyclopentane: A Promising H2 Storage Material?

    SciTech Connect (OSTI)

    Luo, Wei; Neiner, Doinita; Karkamkar, Abhijeet J.; Parab, Kshitij; Garner, Edward B.; Dixon, David A.; Matson, Dean W.; Autrey, Thomas; Liu, Shih-Yuan

    2013-01-21

    We provide detailed characterization of properties for 3-methyl-1,2-BN-cyclopentane 1 that are relevant to H2 storage applications such as viscosity, thermal stability, H2 gas stream purity, and polarity. The viscosity of 1 at room temperature is 25Ī5 cP, about one fourth the viscosity of olive oil. TGA/MS analysis indicates that liquid carrier 1 is thermally stable at 30 įC but decomposes slowly at 50 įC. RGA data suggest that the H2 desorption from 1 is a clean process, producing relatively pure H2 gas. Compound 1 is a polar zwitterionic type liquid consistent with theoretical predictions and solvatochromic studies. "T.A. acknowledges support from the Fuel Cell Technology Program at U.S. DOE, Office of Energy Efficiency 65 and Renewable Energy. Pacific Northwest National Laboratory is operated by Battelle."

  20. 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.

  1. 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.

  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. 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.

  4. Crystallization of iysozyme 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†Ľand this enantiomer. These findings suggest that chiral interactions are important in protein crystallization.ę†less

  5. 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†Ľand this enantiomer. These findings suggest that chiral interactions are important in protein crystallization.ę†less

  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. Conductive methyl blue-functionalized reduced graphene oxide with excellent stability and solubility in water

    SciTech Connect (OSTI)

    Cai, Xiang [Department of Chemistry, Jinan University, Guangzhou 510632 (China)] [Department of Chemistry, Jinan University, Guangzhou 510632 (China); Tan, Shaozao, E-mail: shaozao@tom.com [Department of Chemistry, Jinan University, Guangzhou 510632 (China)] [Department of Chemistry, Jinan University, Guangzhou 510632 (China); Xie, Agui; Lin, Minsong; Liu, Yingliang [Department of Chemistry, Jinan University, Guangzhou 510632 (China)] [Department of Chemistry, Jinan University, Guangzhou 510632 (China); Zhang, Xiuju; Lin, Zhidan [Department of Material Science and Engineering, Jinan University, Guangzhou 510632 (China)] [Department of Material Science and Engineering, Jinan University, Guangzhou 510632 (China); Wu, Ting [Department of Chemistry, Jinan University, Guangzhou 510632 (China)] [Department of Chemistry, Jinan University, Guangzhou 510632 (China); Mai, Wenjie, E-mail: wenjiemai@gmail.com [Department of Physics, Jinan University, Guangzhou 510632 (China)] [Department of Physics, Jinan University, Guangzhou 510632 (China)

    2011-12-15

    Graphical abstract: MB-rGO was synthesized by making use of {pi} stacking and water-solubility of MB to assist the hydrazine mediated reduction of graphene oxide (GO) in aqueous solution. The resulting MB-rGO shows excellent solubility and stability in aqueous solution, and the electrical conductivity of MB-rGO is almost two orders of magnitude larger than that of GO. Highlights: Black-Right-Pointing-Pointer Methyl blue (MB) stacks onto the plane of reduced graphene oxide (rGO) by strong {pi}-{pi} interactions. Black-Right-Pointing-Pointer Sulfo groups of MB prevent rGO from aggregating by electrostatic and steric repulsions. Black-Right-Pointing-Pointer MB-functionalized rGO (MB-rGO) shows excellent solubility and stability in aqueous solution. Black-Right-Pointing-Pointer Electrical conductivity of MB-rGO is almost two orders of magnitude larger than that of GO. -- Abstract: {pi} stacking and water-solubility of methyl blue (MB) are expected to facilitate the hydrazine mediated reduction of graphene oxide (GO) in aqueous environment. Our newly obtained MB-functionalized reduced graphene oxide (MB-rGO) exhibited excellent solubility and stability in water. The results showed that the MB molecules stacked non-covalently onto the basal plane of rGO while the sulfo groups of MB prevented the rGO from aggregation. In addition, the better electrical conductivity of MB-rGO than that of GO was analyzed. This novel conductive MB-rGO should have promising applications in diverse nanotechnological areas, such as electronic and optoelectronic devices, photovoltaics, sensors, and microfabrication.

  8. 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;...

  9. "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;...

  10. 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...

  11. The Transition to a Carbon-Neutral Energy Economy: Exploring UCSD's Role

    E-Print Network [OSTI]

    2006-01-01

    for ethyl/methyl esters (biodiesel). The world currentlyfuels such as ethanol and biodiesel hold huge promise forIn another example, biodiesel is extracted from seed oils,

  12. Analytical Framework to Evaluate Emission Control Systems for Marine Engines

    E-Print Network [OSTI]

    Jayaram, Varalakshmi

    2010-01-01

    Ignition Engine Fueled with Biodiesel Blends. Society ofRegulated emissions from biodiesel fuels from on/ off-roadEffects of Methyl Ester Biodiesel Blends on NOx Emissions.

  13. 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)

  14. Evaluation of the Thermophysical Properties of Poly(MethylMethacrylate): A Reference Material for the Development of a flammability Test for Micro-Gravity Environments†

    E-Print Network [OSTI]

    Steinhaus, Thomas

    1999-01-01

    A study has been conducted using PMMA (Poly(methyl methacrylate)) as a reference material in the development process of the Forced Flow and flame Spread Test (FIST). This test attempts to establish different criteria for ...

  15. 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 airĖn-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.

  16. 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).

  17. 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 amore†Ľnew 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.ę†less

  18. 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

    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 archaeon Haloferax volcanii as a model. Indicative of phosphorylation, phosphatase-sensitive isoforms of ? 1 and ? 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). Usingmore†Ľthis approach, several phosphosites were mapped including ? 1 Thr147, ? 2 Thr13/Ser14 and PAN-A Ser340. Multiple methylation sites were also mapped to ? 1 , thus, revealing a new type of proteasomal modification. Probing the biological role of ? 1 and PAN-A phosphorylation by site-directed mutagenesis revealed dominant negative phenotypes for cell viability and/or pigmentation for ? 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 ? 1 . The ? 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. ę†less

  19. 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.

  20. 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.

  1. Crystal structures of bis-ligand complexes of copper(II) with 2-[(2-hydroxyethylamino)-methyl]-4,6-dinitrophenol, 2,4-dichloro-6-[(2-hydroxyethylamino)-methyl]phenol, and 2,4-dibromo-6-[(2-hydroxyethylamino)-methyl]phenol

    SciTech Connect (OSTI)

    Chumakov, Yu. M. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of)], E-mail: chumakov.xray@phys.asm.md; Tsapkov, V. I. [State University of Moldova (Moldova, Republic of); Bocelli, G. [National Research Council (IMEM-CNR), Institute of Materials for Electronics and Magnetism (Italy); Palomares-Sanchez, S. A.; Ortiz, R. S. [Universidad Autonoma de San Luis Potosi, Facultad de Ciencias (Mexico); Gulea, A. P. [State University of Moldova (Moldova, Republic of)

    2007-02-15

    The crystal structures of bis{l_brace}2,4-dibromo-6-[(2-hydroxyethylamino)-methyl]phenolato{r_brace}copper (I), bis{l_brace}2,4-dichloro-6-[(2-hydroxyethylamino)-methyl]phenolato{r_brace}copper (II), and bis{l_brace}2-[(2-hydroxyethylamino)-methyl]-4,6-dinitrophenolato{r_brace}copper (III) in which the metal atom is located at the center of symmetry are determined using X-ray diffraction. Crystals of compounds I and II are isostructural. The copper atom in the structures of compounds I and I coordinates two singly deprotonated bidentate molecules of the ligand through the phenol oxygen atoms and the azomethine nitrogen atoms with the formation of a distorted planar square. In the crystals, complexes I and II form one-dimensional infinite chains along the b axis. In the structure of compound III, the coordination polyhedron of the central atom is an elongated tetragonal bipyramid with the base formed by the azomethine nitrogen atoms and the phenol oxygen atoms. Both vertices of the bipyramid are occupied by the oxygen atoms of the amino alcohol groups of the neighboring complexes, which are related to the initial complex through the center of symmetry. In turn, the oxygen atoms of the alcohol groups of the initial complex are located at the vertices of the coordination bipyramids of the metal atoms of the neighboring centrosymmetric complexes, thus forming infinite polymer chains along the a axis.

  2. 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.'

  3. 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)

  4. 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.

  5. Bio-Inspired Ideas for Sustainable Energy: Poster Session Day 1 1 Sayeh Sinichi Levente Diosady

    E-Print Network [OSTI]

    Sargent, Edward H. "Ted"

    :1) the formation of isopropyl ester was negligible, making this an alternative technique for biodiesel processing and methyl esters from canola oil via mixed alcohol transesterification. Biodiesel is an attractive and animal fats. The presence of isopropyl esters in biodiesel can improve the cold flow property of the fuel

  6. 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 1275Ė1935 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 0.8Ė1.6, 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.

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

    DOE Patents [OSTI]

    Martinez, Rodolfo A. (Santa Fe, NM); Alvarez, Marc A. (Santa Fe, NM); Silks, III, Louis A. (Los Alamos, NM); Unkefer, Clifford J. (Los Alamos, NM); Schmidt, Jurgen G. (Los Alamos, NM)

    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.

  8. Determination of optimal conditions for obtaining 1,3-dimethoxy-1-phenyl-propane by addition of methylal to styrene

    SciTech Connect (OSTI)

    Brudnik, I.M.; Akhmatdinov, R.T.; Kantor, E.A.; Rakhmankulov, D.L.

    1988-02-10

    The reaction of styrene with methylal was investigated in order to reveal the regularities of the reaction and determine the conditions for obtaining acceptable yields of 1,3-dimethoxy-1-phenylpropane. Earlier, boron trifluoride was recommended as catalyst of the reaction. However, the necessity of working at low temperatures or under pressure makes this catalyst inconvenient for quantitative syntheses. The primary task of the investigation was determination of the possibility of using some other acidic catalysts, particularly sulfuric acid, para toluenesulfonic acid monohydrate, KU-2 cation-exchanger, zinc chloride, and boron trifluoride etherate. The most effective and selective of the investigated catalysts is boron trifluoride etherate.

  9. Polymorphism of inflammatory genes and arsenic methylation capacity are associated with urothelial carcinoma

    SciTech Connect (OSTI)

    Wu, Chia-Chang [School of Public Health, College of Public Health and Nutrition, Taipei Medical University, Taipei, Taiwan (China); Department of Urology, Taipei Medical UniversityóShuang Ho Hospital, Taipei, Taiwan (China); Huang, Yung-Kai [School of Oral Hygiene, College of Oral Medicine, Taipei Medical University, Taipei, Taiwan (China); Chung, Chi-Jung [Department of Health Risk Management, College of Public Health, China Medical University and Hospital, Taichung, Taiwan (China); Department of Medical Research, China Medical University Hospital, Taichung, Taiwan (China); Huang, Chao-Yuan; Pu, Yeong-Shiau [Department of Urology, National Taiwan University Hospital, College of Medicine National Taiwan University, Taipei, Taiwan (China); Shiue, Horng-Sheng [Department of Chinese Medicine, Chang Gung Memorial Hospital, Taipei, Taiwan (China); Lai, Li-An [School of Public Health, College of Public Health and Nutrition, Taipei Medical University, Taipei, Taiwan (China); Lin, Ying-Chin [Department of Family Medicine, Shung Ho Hospital, Taipei Medical University, Taipei, Taiwan (China); Department of Health Examination, Wan Fang Hospital, Taipei Medical University, Taipei, Taiwan (China); Su, Chien-Tien [Department of Family Medicine, Taipei Medical University Hospital, Taipei, Taiwan (China); Hsueh, Yu-Mei, E-mail: ymhsueh@tmu.edu.tw [School of Public Health, College of Public Health and Nutrition, Taipei Medical University, Taipei, Taiwan (China); Department of Public Health, School of Medicine, College of Medicine, Taipei Medical University, Taipei, Taiwan (China)

    2013-10-01

    Chronic exposure to arsenic can generate reactive oxidative species, which can induce certain proinflammatory cytokines such as tumor necrosis factor-alpha (TNF-?), interleukin-6 (IL-6) and interleukin-8 (IL-8). TNF-?, IL-6 and IL-8 have been shown to be involved in the development and progression of various cancers, including bladder cancer. This study aimed to investigate the joint effect of the polymorphism of TNF-? ? 308 G/A, IL-6 ? 174 G/C, IL-8 ? 251 T/A and urinary arsenic profiles on urothelial carcinoma (UC) risk. This study evaluated 300 pathologically-confirmed cases of UC and 594 cancer-free controls. Urinary arsenic species were detected using high-performance liquid chromatography-linked hydride generator and atomic absorption spectrometry. The polymorphism of TNF-? ? 308 G/A, IL-6 ? 174 G/C and IL-8 ? 251 T/A was determined using polymerase chain reaction-restriction fragment length polymorphism. The joint effects on UC risk were estimated by odds ratios and 95% confidence intervals using unconditional logistic regression. We found that the TNF-? ? 308 A/A and IL-8 ? 251 T/T polymorphisms were significantly associated with UC. Moreover, significant doseĖresponse joint effect of TNF-? ? 308 A/A or IL-8 ? 251 T/T genotypes and arsenic methylation indices were seen to affect UC risk. The present results also showed a significant increase in UC risk in subjects with the IL-8 ? 251 T/T genotype for each SD increase in urinary total arsenic and MMA%. In contrast, a significant decrease in UC risk was found in subjects who carried the IL-8 ? 251 T/T genotype for each SD increase in DMA%. - Highlights: ē Joint effect of the TNF-? -308 A/A genotype and urinary total arsenic affected UC. ē Joint effect of the IL-8 -251 T/T genotype and urinary total arsenic affected UC. ē Urinary total arsenic level, TNF-? -308 A/A and IL-8 -251 T/T genotype affected UC.

  10. Report of the Peer Review Panel on the early site suitability evaluation of the Potential Repository Site at Yucca Mountain, Nevada; Yucca Mountain Site Characterization Project

    SciTech Connect (OSTI)

    1992-01-01

    The US Department of Energy (DOE) Yucca mountain Site Characterization Project Office (YMPO) assigned Science Applications International Corporation (SAIC), the Technical and Management Support Services (T&MSS) contractor to the YmPo, the task of conducting an Early Site Suitability Evaluation (ESSE) of the Yucca mountain site as a potential site for a high-level radioactive waste repository. First, the assignment called for the development of a method to evaluate a single site against the DOE General Guidelines for Recommendation of Sites for Nuclear Waste Repositories, 10 CFR Part 960. Then, using this method, an evaluation team, the ESSE Core Team, of senior YMP scientists, engineers, and technical experts, evaluated new information obtained about the site since publication of the final Environmental Assessment (DOE, 1986) to determine if new suitability/unsuitability findings could be recommended. Finally, the Core Team identified further information and analyses needed to make final determinations for each of the guidelines. As part of the task, an independent peer review of the ESSE report has been conducted. Expertise was solicited that covered the entire spectrum of siting guidelines in 10 CFR Part 960 in order to provide a complete, in-depth critical review of the data evaluated and cited in the ESSE report, the methods used to evaluate the data, and the conclusions and recommendations offered by the report. Fourteen nationally recognized technical experts (Table 2) served on the Peer Review Panel. The comments from the Panel and the responses prepared by the ESSE Core Team, documented on formal Comment Response Forms, constitute the body of this document.

  11. Highly efficient deep blue organic electroluminescent device based on 1-methyl-9,10-di,,1-naphthyl...anthracene

    E-Print Network [OSTI]

    So, Shu K.

    .1063/1.2409367 In recent years, there has been considerable interest in developing blue organic light emitting diodes OLEDs-color OLED Ref. 2 and also be uti- lized to generate light of other colors by energy cascade to a suitable light emitting device which produces electroluminescence efficiencies of 3.3 cd/A and 1.3 lm

  12. Many of the key technological problems associated with alternative energies (e.g., thermoelectrics, ad-vanced batteries, hydrogen storage, etc.) may be traced back to the lack of suitable materials. Both the

    E-Print Network [OSTI]

    Kilian, Kristopher A.

    , ad- vanced batteries, hydrogen storage, etc.) may be traced back to the lack of suitable materials Motor Company, where he was group leader for the Hydrogen Storage and Nanoscale Modeling Group. He

  13. The flow of liquid PDMS (10:1 v/v base to cross-linker ratio) in open, rectangular silicon micro channels, with and without a hexa-methyl-di-silazane (HMDS) or poly-tetra-fluoro-ethylene (PTFE) (120 nm) coat,

    E-Print Network [OSTI]

    channels, with and without a hexa-methyl-di-silazane (HMDS) or poly-tetra-fluoro-ethylene (PTFE) (120 nm

  14. TpPtMe(H)2: Why Is There H/D Scrambling of the Methyl Group but Not Methane Loss?

    E-Print Network [OSTI]

    Keinan, Ehud

    TpPtMe(H)2: Why Is There H/D Scrambling of the Methyl Group but Not Methane Loss? Mark A. Iron, H ) hydrido-tris(pyrazolyl)borate) was investigated. This complex is remarkably resistant to methane loss; heating it in methanol at 55 įC does not lead to either methane or hydrogen loss. When CD3OD is used

  15. Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal Prasenjit Seal, Ewa Papajak, Tao Yu, and Donald G. Truhlar

    E-Print Network [OSTI]

    Truhlar, Donald G

    Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal Prasenjit Seal, Ewa-body decomposition of ethanedial, propanal, propenal, n-butane, 1-butene, and 1,3-butadiene J. Chem. Phys. 136, and butanal Prasenjit Seal, Ewa Papajak, Tao Yu, and Donald G. Truhlara) Department of Chemistry

  16. Methyl tert-butyl ether (MTBE) is a volatile organic com-pound (VOC) derived from natural gas that is added to gas-

    E-Print Network [OSTI]

    Methyl tert-butyl ether (MTBE) is a volatile organic com- pound (VOC) derived from natural gas Water in Urban and Agricultural Areas made from methanol, which is derived primarily from natural gas that is added to gas- oline either seasonally or year round in many parts of the United States to increase

  17. 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.

  18. Excited State Processes of 2-Butylamino-6-methyl-4-nitropyridine N-oxide in Nonpolar Solvents. A Transient Absorption Spectroscopy Study

    E-Print Network [OSTI]

    van Stokkum, Ivo

    Excited State Processes of 2-Butylamino-6-methyl-4-nitropyridine N-oxide in Nonpolar Solvents undergo fast excited-state intramolecular proton transfer (ESIPT). In a nonpolar solvent such as n≠6. A strong solvent dependency of the emission spectra of 2B6M was observed. Pooīr et al. noted a Stokes

  19. The SO++S1transition of Pans-p-methyl styrene W. Drescher, S. Kendler, S. Zilberg, E. Zingher, H. Zuckermann, and Y. Haas

    E-Print Network [OSTI]

    Haas, Yehuda

    NOTES The SO++S1transition of Pans-p-methyl styrene W. Drescher, S. Kendler, S. Zilberg, E. Zingher August 1994) The Sa++S' transition of styrene and its derivatives has been extensively discussed applied to the ground state of styrene.`-12 According to these calculations and contrary to experimental

  20. Long-term high frequency measurements of ethane, benzene and methyl chloride at Ragged Point, Barbados: Identification of long-range transport events.

    E-Print Network [OSTI]

    Archibald, A. T.; Witham, C. S.; Ashfold, M. J.; Manning, A. J.; O'Doherty, S.; Greally, B. R.; Young, D.; Shallcross, D. E.

    2015-01-01

    Here we present high frequency long-term observations of ethane, benzene and methyl chloride from the AGAGE Ragged Point, Barbados, monitoring station made using a custom built GC-MS system. Our analysis focuses on the first three years of data...

  1. (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.

  2. 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.

  3. 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.

  4. Studies toward the synthesis of hemigossypol†

    E-Print Network [OSTI]

    Welter, Thomas Robert

    1972-01-01

    -veratric acid was converted to its methyl ester with methanol and sulfuric acid in 1, 2-dichloroethane. Methyl o-vera- triate, Q, upon treatment with methyl magnesium bromide, followed by dehydration and hydrogenation over Raney nickel afforded 2, 3..., of the infrared spectrum, was shifted to 1745 cm by esterification. Treatment of methyl veratriate with methyl magnesium bromide followed by dehydration with 20g sulfuric acid gives 2, 3-dimethoxy- (2'-propenyl)-benzene, 18, The appearance of a finely split...

  5. 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.

  6. 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, Montrťal, Quťbec, Canada H3T 1E2 (Canada) [Lady Davis Institute for Medical Research, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montrťal, Quťbec, Canada H3T 1E2 (Canada); Division of Experimental Medicine, Department of Medicine, McGill University, 850 Sherbrooke Street, Montrťal, Quťbec, 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, Montrťal, Quťbec, Canada H3T 1E2 (Canada)] [Lady Davis Institute for Medical Research, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montrťal, Quťbec, 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, Montrťal, Quťbec, Canada H3T 1E2 (Canada) [Lady Davis Institute for Medical Research, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montrťal, Quťbec, Canada H3T 1E2 (Canada); Division of Experimental Medicine, Department of Medicine, McGill University, 850 Sherbrooke Street, Montrťal, Quťbec, Canada H3A 1A2 (Canada); Sebag, Igal A., E-mail: igal.sebag@mcgill.ca [Division of Cardiology, Jewish General Hospital, 3755 chemin Cote Ste Catherine, Montrťal, Quťbec, 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 11.5Ė14.5. 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.

  7. The opposing effects of calmodulin, adenosine 5 prime -triphosphate, and pertussis toxin on phorbol ester induced inhibition of atrial natriuretic factor stimulated guanylate cyclase in SK-NEP-1 cells

    SciTech Connect (OSTI)

    Sekiya, M.; Frohlich, E.D.; Cole, F.E. (Alton Ochsner Medical Foundation, New Orleans, LA (USA))

    1991-01-01

    In the present study, we investigated the effects of calmodulin, adenosine 5{prime}-triphosphate (ATP) and pertussis toxin (PT) on phorbol ester (PMA) induced inhibition of ANF-stimulated cyclic GMP formation in cells from the human renal cell line, SK-NEP-1. PMA inhibited ANF-stimulated guanylate cyclase activity in particulate membranes by about 65%. Calmodulin reversed this inhibition in a dose dependent manner. ATP potentiated Mg++ but not Mn++ supported guanylate cyclase activity. In PMA treated membranes, ATP potentiating effects were abolished. PMA also inhibited ANF-stimulated cGMP accumulation, but pretreatment with PT prevented this PMA inhibition. PT did not affect basal or ANF-stimulated cGMP accumulation. In conclusion, these results demonstrated that PMA inhibited ANF stimulation of particulate guanylate cyclase in opposition to the activating effects of calmodulin or ATP in SK-NEP-1 cells. The protein kinase C inhibitory effects appeared to be mediated via a PT-sensitive G protein.

  8. Vapor-liquid equilibrium for methanol + 1,1-dimethylpropyl methyl ether at (288.15, 308.15, and 328.15) K

    SciTech Connect (OSTI)

    Moessner, F.; Coto, B.; Pando, C.; Rubio, R.G.; Renuncio, J.A.R. [Universidad Complutense, Madrid (Spain). Departamento de Quimica Fisica 1] [Universidad Complutense, Madrid (Spain). Departamento de Quimica Fisica 1

    1996-05-01

    Oxygenated compounds are being used as additives to gasoline because of their antiknock effects. Vapor-liquid equilibria for methanol + 1,1-dimethylpropyl methyl ether (tert-amyl methyl ether or TAME) have been measured at (288.15, 308.15, and 328.15) K. A Gibbs-Van Ness type apparatus for total vapor pressure measurements has been used. The system shows positive deviations from Raoult`s law with an azeotrope, whose coordinates are reported at the three temperatures studied. Results have been analyzed in terms of the UNIQUAC model, several versions of the UNIFAC model, and the modified-Huron-Vidal second-order (MHV2) group contribution equation of state.

  9. 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.

  10. 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.

  11. SolĖgel 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: ē CoFe{sub 2}O{sub 4} was generated by solĖgel autocombustion using 1-methyl-2-pyrrolidone and ethylene glycol. ē The presence of spin-disordered surface layer on magnetic core was established. ē A linear dependence of the coercivity on temperature was fitted to Kneller's law. - Abstract: Magnetic nanoparticles were generated by solĖgel 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 Ī 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 10Ė400 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 StonerĖWohlfarth model.

  12. 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 (SHĖNH2) 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 PĖS containing pesticides and provides a promising strategy to construct a robust biosensor.

  13. 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 ?-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†ĽDNA 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.ę†less

  14. Facile synthesis of graphene by pyrolysis of poly(methyl methacrylate) on nickel particles in the confined microzones

    SciTech Connect (OSTI)

    Hong, Ningning [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China)] [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China); Yang, Wei [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China) [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China); Suzhou Key Laboratory of Urban Public Safety, Suzhou Institute of University of Science and Technology of China, Suzhou, Jiangsu, 215123 (China); Bao, Chenlu; Jiang, Saihua; Song, Lei [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China)] [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China); Hu, Yuan, E-mail: yuanhu@ustc.edu.cn [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China) [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China); Suzhou Key Laboratory of Urban Public Safety, Suzhou Institute of University of Science and Technology of China, Suzhou, Jiangsu, 215123 (China)

    2012-12-15

    Graphical abstract: Display Omitted Highlights: ? The GNWs with few defects were synthesized by pyrolyzing PMMA on nickel particles. ? PMMA as carbon source was easily prepared and safe to handle. ? Nickel microparticles were directly used as catalysts without any pre-treatment. ? The method can be used for the low cost and bulk production of graphene. -- Abstract: In this work, multi-layer graphene has been prepared by pyrolyzing poly(methyl methacrylate) (PMMA) on nickel microparticles in the confined microzones formed by organophilic montmorillonite (OMT). Gram-scale of product can be obtained per day by using this method. The obtained graphene was evaluated by scanning and transmission electron microscopy, X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and thermogravimetric analysis. Pyrolytic conditions such as the system composition of the composites, reaction temperature and the size of catalyst are important parameters affecting the morphology and yield of the final product. Based on the experimental observations and reported literatures, a possible formation process is discussed. The synthesis method of graphene is simple, low-cost, and scalable, which is promising for the application in many fields.

  15. Durability testing of a diesel fuel, methyl tallowate, and ethanol blend in a Cummins N14-410 diesel engine

    SciTech Connect (OSTI)

    Ali, Y.; Hanna, M.A. [Univ. of Nebraska, Lincoln, NE (United States)

    1996-05-01

    A Cummins N14-410 diesel engine was operated on an 80:13:7% (v/v) blend of diesel fuel: methyl tallowate: ethanol. The standard 200-h Engine Manufacturers Association (EMA) test procedure was followed to test engine durability. Engine performance was evaluated in terms of power produced at rated speed, peak torque produced at a speed of 1200 rpm, and brake specific fuel consumption at both speeds. Engine exhaust emissions analyses were performed, and the engine oil was analyzed for accumulation of heavy metals at 45 h intervals. It was observed that engine performance was satisfactory for 148 h at which time the injector in cylinder 2 failed. The injector was changed, and after an additional 11 h (159 h total) of operation the injector in cylinder 5 failed. That injector was also replaced, and the 200-h procedure was continued. The test was discontinued after 197 h when the supply of the fuel blend was exhausted. The injectors were removed and the injector in cylinder 1 was observed to be coked. This injector was sent to the Cummins Engine Co. for analysis. It was found that failure of this injector was not because of the fuel used, but because of a crack had developed across the tip due to an excessively tight overhead adjustment. Engine oil analyses performed for accumulation of wear metals did not reveal any excessive wear on the engine parts. 12 refs., 4 figs., 3 tabs.

  16. Isomerization of xylene and methylation of toluene on zeolite H-ZSM-5 compound kinetics and selectivity

    SciTech Connect (OSTI)

    Beschmann, K; Riekert, L. (Institute fuer Chemische Verfahrenstechnik der Universitaet Karlsruhe (Germany))

    1993-06-01

    The alkylation of toluene with methanol and the isomerization of xylene were investigated separately and in detail on zeolite H-ZSM-5 as catalyst. The influence of crystal size alone on rates and product distributions was studied for two Si/Al ratios in the zeolite at 573 and 723 K in a gradientless batch-reactor. The isomer distribution in the xylene resulting from toluene methylation is constant from zero up to at least 50% conversion of the methanol in a stoichiometric mixture, H-ZSM-5 being always para-selective. para-Xylene prevails increasingly in the products when either crystal size, temperature, or Al content in the zeolite increase; essentially pure p-xylene can be obtained in the limit with unmodified H-ZSM-5 as catalyst. The rate of isomerization of xylene alone to an equilibrium mixture of isomers was found to be roughly proportional to the extent of the (external) surface of the zeolite crystals, the ratios of the rates of different reactions in the triangular scheme of isomerization being nearly independent of crystal size. The observations can be understood as resulting from the interaction of reaction an diffusion in the volume of the crystals. 34 refs., 11 figs., 4 tabs.

  17. 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: ē Mn vanadate nanosheets have been synthesized by simple hydrothermal process. ē The formation of Mn vanadate nanosheets can be controlled by growth conditions. ē 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 2Ė10 ?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}.

  18. Infrared spectra of methyl-, and nitrogen-modified void coronene; modeling a carrier of interstellar polycyclic aromatic hydrocarbon

    E-Print Network [OSTI]

    Ota, Norio

    2015-01-01

    Void induced coronene C23H12++ was suggested to be a possible carrier of the astronomically observed polycyclic aromatic hydrocarbon (PAH), which shows unique molecular structure with carbon two pentagons connected with five hexagons. Well observed astronomical infrared spectrum from 3-15 micron could be almost reproduced based on density functional theory. However, there remain several discrepancies with observed spectra, especially on 11-15 micron band weaker intensity. Observed 11.2 micron intensity is comparable to 7.6-7.8 micron one. Methyl-modified molecule C24H14++ revealed that calculated peak height of 11.4 micron show fairly large intensity up to 70-90% compared with that of 7.6-7.8 micron band. Also, nitrogen atom was substituted to peripheral C-H site of void coronene to be C22H11N1++. Pentagon site substituted case show 60% peak height. This molecule also reproduced well 12-15 micron peak position and relative intensity. Vibration mode analysis demonstrated that 11.3 micron mode comes from C-H ou...

  19. {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, Cťcile; Bergin, Edwin A.; Crockett, Nathan R.; Neill, Justin L.; Carvajal, Miguel; Field, David; JÝrgensen, Jes K.; Bisschop, Suzanne E.; Brouillet, Nathalie; Despois, Didier; Baudry, Alain; Kleiner, Isabelle; MargulŤs, Laurent; Huet, ThťrŤse 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 283.4-287.4†GHz. 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), NGC†6334 IRS 1, W51 e2, and G19.61-0.23. In addition, we have used the 1†mm 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†Ī 10.1 and 71.4†Ī 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.

  20. Solvent Effects on Diastereoselective Intramolecular [2 + 2] Photocycloadditions: Reversal of Selectivity

    E-Print Network [OSTI]

    3 is illustrated in Scheme 1. The addition of ethynyl magnesium bromide to 4-methyl-4-pentenal8 ester or amide, which was converted to the cyclopentenone 1 with use of our zinc homoenolate procedure

  1. Fatty acid composition and distribution in the blubber of bottlenose dolphins (Tursiops truncatus)†

    E-Print Network [OSTI]

    Samuel, Asha Melina

    2000-01-01

    . Lipids were extracted from each sample, and fatty acid methyl esters analyzed using a gas-liquid chromatograph connected to a computerized integration system. Statistical analysis consisted of multivariate techniques, including classification...

  2. Emissions Benefits From Renewable Fuels and Other Alternatives for Heavy-Duty Vehicles

    E-Print Network [OSTI]

    Hajbabaei, Maryam

    2013-01-01

    Effects of Methyl Ester Biodiesel Blends on NOx Emissions.Increase When Burning Biodiesel; A New (Old) Theory. FuelE. ; Natarajan, M. Effects of Biodiesel Fuels Upon Criteria

  3. A MULTI-COUNTRY ANALYSIS OF LIFECYCLE EMISSIONS FROM TRANSPORTATION FUELS AND MOTOR VEHICLES

    E-Print Network [OSTI]

    Delucchi, Mark

    2005-01-01

    DME, ethanol, ethanol, CH2, ethanol, CH2, CH2, LH2 LH2, electricity LH2, electricity FuelDME = dimethyl ether, FAME = fatty acid methyl esters. The feedstocks from which the fuels

  4. A Multi-Country Analysis of Lifecycle Emissions From Transportation Fuels and Motor Vehicles

    E-Print Network [OSTI]

    Delucchi, Mark

    2005-01-01

    DME, ethanol, ethanol, CH2, ethanol, CH2, CH2, LH2 LH2, electricity LH2, electricity FuelDME = dimethyl ether, FAME = fatty acid methyl esters. The feedstocks from which the fuels

  5. Transportation and its Infrastructure

    E-Print Network [OSTI]

    2007-01-01

    fuels include carbon-containing liquids such as ethanol, methanol, biodiesel, di-methyl esters (DME) andDME Engine Operated at Stoichiometric Mixture. Presented at International Symposia on Alcohol Fuels (

  6. Manipulation of the HIFĖVegf pathway rescues methyl tert-butyl ether (MTBE)-induced vascular lesions

    SciTech Connect (OSTI)

    Bonventre, Josephine A., E-mail: josephine.bonventre@oregonstate.edu [Rutgers, The State University of New Jersey, Joint Graduate Program in Toxicology, 170 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Rutgers, The State University of New Jersey, Department of Biochemistry and Microbiology, 76 Lipman Dr., New Brunswick, NJ 08901 (United States); Oregon State University, Department of Environmental and Molecular Toxicology, 1011 Agricultural and Life Sciences Bldg, Corvallis, OR 97331 (United States); Kung, Tiffany S., E-mail: tiffany.kung@rutgers.edu [Rutgers, The State University of New Jersey, Joint Graduate Program in Toxicology, 170 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Rutgers, The State University of New Jersey, Department of Biochemistry and Microbiology, 76 Lipman Dr., New Brunswick, NJ 08901 (United States); White, Lori A., E-mail: lawhite@aesop.rutgers.edu [Rutgers, The State University of New Jersey, Joint Graduate Program in Toxicology, 170 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Rutgers, The State University of New Jersey, Department of Biochemistry and Microbiology, 76 Lipman Dr., New Brunswick, NJ 08901 (United States); Cooper, Keith R., E-mail: cooper@aesop.rutgers.edu [Rutgers, The State University of New Jersey, Joint Graduate Program in Toxicology, 170 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Rutgers, The State University of New Jersey, Department of Biochemistry and Microbiology, 76 Lipman Dr., New Brunswick, NJ 08901 (United States)

    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 0.00625Ė5 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 HIFĖVegf 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 HippelĖLindau 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 HIFĖVegf 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: ē Global gene expression of MTBE exposed zebrafish suggested altered HIF1 signaling. ē Over expression of zebrafish vegf-a rescues MTBE-induced vascular lesions. ē Inhibiting PHD or knocking down VHL rescues MTBE-induced vascular lesions. ē HIF1-Vegf driven angiogenesis is a target for MTBE vascular toxicity.

  7. Controlling DNA Methylation

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submit the followingConcentrating

  8. Synthesis and evaluation of macrocycles as potential antitumor agents

    E-Print Network [OSTI]

    Pan, Chung-Mao; Pan, Chung-Mao

    2012-01-01

    equivalents) of free amine racemic-?-hydroxyl-Phe-OMe, 918free amine (2R, 3S) / (2S, 3R) racemic NH 2 -?-hydroxyl-Phe-amine protecting group, methyl ester (OMe) or ethyl ester (OEt) for carboxylic acid, benzyl (OBn) and carbobenzyloxy (CBz) groups for hydroxyl and

  9. Ultraviolet absorbing copolymers

    DOE Patents [OSTI]

    Gupta, Amitava (Pasadena, CA); Yavrouian, Andre H. (La Crescenta, CA)

    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.

  10. 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.

  11. Knowledge Discovery in Spatial Databases Martin Ester

    E-Print Network [OSTI]

    Ester, Martin

    and their interactions with each other. Most companies, governmental agencies and scientific organizations use DBMS with ex­ isting DBMS. Thus, the second goal is to propose methods of efficiently supporting spatial data mining algorithms by a DBMS. Our approach centers around a new set of database primitives for mining

  12. Ester, Alaska: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTIONRobertsdale, AlabamaETEC GmbH JumpEllenville,Power Corp JumpMassachusetts: Energy

  13. BIODIVERSITY Recent decline in suitable environmental

    E-Print Network [OSTI]

    International, Monrovia, Liberia, 8 Zoological Society of Milwaukee, 10005 W. Bluemound Rd., Milwaukee, WI

  14. SOLAR - Suitability mapping ... | ornl.gov

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

    radiation. They added a computational model with overlays built on a geographic information system platform to divide the study area into a grid of cells to determine...

  15. Suitability of salvaged timber in structural design

    E-Print Network [OSTI]

    Davis, James Brandon

    2012-01-01

    Increased demand for timber construction in the United States has placed a strain on the American timber reserve. At the same time, the annual demolition of thousands of buildings and wood structures results in thousands ...

  16. Nickel aluminide alloy suitable for structural applications

    DOE Patents [OSTI]

    Liu, C.T.

    1998-03-10

    Alloys are disclosed for use in structural applications based upon NiAl to which are added selected elements to enhance room temperature ductility and high temperature strength. Specifically, small additions of molybdenum produce a beneficial alloy, while further additions of boron, carbon, iron, niobium, tantalum, zirconium and hafnium further improve performance of alloys at both room temperature and high temperatures. A preferred alloy system composition is Ni--(49.1{+-}0.8%)Al--(1.0{+-}0.8%)Mo--(0.7 + 0.5%)Nb/Ta/Zr/Hf--(nearly zero to 0.03%)B/C, where the % is at. % in each of the concentrations. All alloys demonstrated good oxidation resistance at the elevated temperatures. The alloys can be fabricated into components using conventional techniques. 4 figs.

  17. Nickel aluminide alloy suitable for structural applications

    DOE Patents [OSTI]

    Liu, Chain T. (Oak Ridge, TN)

    1998-01-01

    Alloys for use in structural applications based upon NiAl to which are added selected elements to enhance room temperature ductility and high temperature strength. Specifically, small additions of molybdenum produce a beneficial alloy, while further additions of boron, carbon, iron, niobium, tantalum, zirconium and hafnium further improve performance of alloys at both room temperature and high temperatures. A preferred alloy system composition is Ni--(49.1.+-.0.8%)Al--(1.0.+-.0.8%)Mo--(0.7.+-.0.5%)Nb/Ta/Zr/Hf--(nearly zero to 0.03%)B/C, where the % is at. % in each of the concentrations. All alloys demonstrated good oxidation resistance at the elevated temperatures. The alloys can be fabricated into components using conventional techniques.

  18. BIODIVERSITY The use of habitat suitability models

    E-Print Network [OSTI]

    Pretoria, University of

    -mail: rjvaarde@zoology.up.ac.za ABSTRACT Aim Predicting extinctions before they are realized has proven difficult to predict extinction debts in coastal forests, South Africa Pieter I. Olivier, Rudi J. van Aarde* and Amanda of coastal forests using MaxEnt, a presence-only technique for modelling species distributions. The model pro

  19. Current Biology 20, R780R785, September 14, 2010 2010 Elsevier Ltd All rights reserved DOI 10.1016/j.cub.2010.07.007 MinireviewEvolution of Eukaryotic DNA Methylation

    E-Print Network [OSTI]

    all of life with almost invariant consistency, but imagine, for a moment, if this were not so. After. Methylation of the fifth carbon of cytosine, the subject of this article, is mediated by the same enzymatic are directly applicable to mammals, which will be useful for distantly related crop plants, and which

  20. A novel, single-isomer, sulfated cyclodextrin for use as a chiral resolving agent in capillary electrophoresis: the sodium salt of octakis(2,3-di-O-methyl-6-O-sulfo)-?-cyclodextrin†

    E-Print Network [OSTI]

    Busby, Michael Brent

    2002-01-01

    A novel, single-isomer, sulfated cyclodextrin, the sodium salt of octakis(2,3-di-O-methyl-6-O-sulfo)cyclomaltooctaose (ODMS) was used as a chiral resolving agent in both aqueous and non-aqueous chiral mediated electrophoretic ...

  1. 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}.

  2. 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.

  3. 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.

  4. 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. (Santa Fe, NM); Martinez, Rodolfo A. (Santa Fe, NM); Unkefer, Clifford J. (Los Alamos, NM)

    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.

  5. Detection of high molecular weight organic tracers in vegetation smoke samples by high-temperature gas chromatography-mass spectrometry

    SciTech Connect (OSTI)

    Elias, V.O.; Simoneit, B.R.T. ); Pereira, A.S.; Cardoso, J.N. ); Cabral, J.A. )

    1999-07-15

    High-temperature high-resolution gas chromatography (HTGC) is an established technique for the separation of complex mixtures of high molecular weight (HMW) compounds which do not elute when analyzed on conventional GC columns. The combination of this technique with mass spectrometry is not so common and application to aerosols is novel. The HTGC and HTGC-MS analyses of smoke samples taken by particle filtration from combustion of different species of plants provided the characterization of various classes of HMW compounds reported to occur for the first time in emissions from biomass burning. Among these components are a series of wax esters with up to 58 carbon numbers, aliphatic hydrocarbons, triglycerides, long chain methyl ketones, alkanols and a series of triterpenyl fatty acid esters which have been characterized as novel natural products. Long chain fatty acids with more than 32 carbon numbers are not present in the smoke samples analyzed. The HMW compounds in smoke samples from the burning of plants from Amazonia indicate the input of directly volatilized natural products in the original plants during their combustion. However, the major organic compounds extracted from smoke consist of a series of lower molecular weight polar components, which are not natural products but the result of the thermal breakdown of cellulose and lignin. In contrast, the HMW natural products may be suitable tracers for specific sources of vegetation combustion because they are emitted as particles without thermal alternation in the smoke and can thus be related directly to the original plant material.

  6. 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.

  7. The Influence of Linker Geometry on Uranyl Complexation by Rigidly-Linked Bis(3-hydroxy-N-methyl-pyridin-2-one)

    SciTech Connect (OSTI)

    Szigethy, Geza; Raymond, Kenneth

    2010-04-22

    A series of bis(3-hydroxy-N-methyl-pyridin-2-one) ligands was synthesized, and their respective uranyl complexes were characterized by single crystal X-ray diffraction analyses. These structures were inspected for high-energy conformations and evaluated using a series of metrics to measure co-planarity of chelating moieties with each other and the uranyl coordination plane, as well as to measure coordinative crowding about the uranyl dication. Both very short (ethyl, 3,4-thiophene and o-phenylene) and very long ({alpha},{alpha}{prime}-m-xylene and 1,8-fluorene) linkers provide optimal ligand geometries about the uranyl cation, resulting in planar, unstrained molecular arrangements. The planarity of the rigid linkers also suggests there is a degree of pre-organization for a planar coordination mode that is ideal for uranyl-selective ligand design. Comparison of intramolecular N{sub amide}-O{sub phenolate} distances and {sup 1}H NMR chemical shifts of amide protons supports earlier results that short linkers provide the optimal geometry for intramolecular hydrogen bonding.

  8. Miscibility of blends of poly(methyl methacrylate) and oligodiols based on a bisphenol A nucleus and ethylene oxide or propylene oxide branches

    E-Print Network [OSTI]

    B. Jaffrennou; E. R. Soule; F. Mechin; J. Borrajo; J. P. Pascault; R. J. J. Williams

    2013-11-21

    Cloud-point curves of blends of poly(methyl methacrylate) (PMMA) with a series of oligodiols based on a bisphenol A nucleus and short branches of poly(ethylene oxide) or poly(propylene oxide) (BPA-EO or BPA-PO), and with PEO and PPO oligomers, were obtained using a light transmission device. Experimental results were fitted with the Flory- Huggins model using an interaction parameter depending on both temperature and composition. For PMMA/PEO and PMMA/PPO blends, the miscibility increased when increasing the size of the diol, due to the significant decrease in the entropic and enthalpic terms contributing to the interaction parameter. This reflected the decrease in the selfassociation of solvent molecules and in the contribution of terminal OH groups to the mismatching of solubility parameters. For PMMA/BPA-EO blends, a decrease of the entropic contribution to the interaction parameter when increasing the size of the oligodiol was also found. However, the effect was counterbalanced by the opposite contribution of combinatorial terms leading to cloud-point curves located in approximately the same temperature range. For PMMA/BPA-PO blends, the interaction parameter exhibited a very low value. In this case, the effect of solvent size was much more important on combinatorial terms than on the interaction parameter, leading to an increase in miscibility when decreasing the oligodiol size. For short BPA-PO oligodiols no phase separation was observed. The entropic contribution of the interaction parameter exhibited an inverse relationship with the size of the oligodiols, independent of the nature of the chains bearing the hydroxyls and the type of OH groups (primary or secondary). This indicates that the degree of self-association of solvent molecules through their OH terminal groups, was mainly determined by their relative sizes.

  9. Conducting polymer blends: Polypyrrole and polythiophene blends with polystyrene, polycarbonate resin, poly(vinyl alcohol) and poly(vinyl methyl ketone)

    SciTech Connect (OSTI)

    Wang, H.L.

    1992-01-01

    Various aromatic compounds can be polymerized by electrochemical oxidation in solution containing a supporting electrolyte. Most studies have been devoted to polypyrrole and polythiophene. In situ doping during electrochemical polymerization yields free standing conductive polymer film. One major approach to making conducting polymer blends is electrochemical synthesis after coating the host polymer on a platinum electrode. In the electrolysis of pyrrole or thiophene monomer, using (t-Bu[sub 4]N)BF[sub 4] as supporting electrolyte, and acetonitrile as solvent, monomer can diffuse through the polymer film, to produce a polypyrrole or polythiophene blend in the film. Doping occurs along with polymerization to form a conducting polymer alloy. The strongest molecular interaction in polymers, and one that is central to phase behavior, is hydrogen bonding. This mixing at the molecular level enhances the degree of miscibility between two polymers and results in macroscopic properties indicative of single phase behavior. In this dissertation, the authors describes the syntheses of conducting polymer blends: polypyrrole and polythiophene blends with polystyrene, poly(bisphenol-A-carbonate), polyvinyl alcohol and poly(vinyl methyl ketone). The syntheses are performed both electrochemically and chemically. Characterization of these blends was carried out by Fourier Transform Infrared spectroscopy, Differential Scanning Calorimetry, Thermogravimetric Analysis, Scanning Electron Microscopy, and X-ray diffraction. Percolating threshold conductivities occur from 7% to 20% for different polymer blends. The low threshold conductivity is attributed to blend homogeneity enhanced by hydrogen bonding between the carbonyl group in the insulating polymer and the N-H group in polypyrrole. Thermal stability, environmental stability, mechanical properties, crystallinity and morphological structure are also discussed. The authors have also engaged in the polymerization of imidazoles.

  10. 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.

  11. 1) Methyl Acrylate, h 2) Methyl Orthoformate, Amberlyst-15

    E-Print Network [OSTI]

    -CPBA, NaHCO3 42) K2CO3, MeOH 35) SO3 * py, DMSO-Et3N 36) 1N aq HCl 37) Sc(OTf)3 34-36 O O H H OH OTES TIPSO

  12. 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.

  13. 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.

  14. 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)

  15. 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.

  16. 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, E-mail: lily1001224@gmail.com [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China); Li, Chia-Jung, E-mail: 97751101@stmail.tcu.edu.tw [Institute of Medical Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Institute of Medical Sciences, Tzu Chi University, Hualien, Taiwan (China); Huang, Lin-Huang, E-mail: yg1236@yahoo.com.tw [School of Medicine, Institute of Traditional Medicine, National Yang-Ming University, Taipei, Taiwan (China)] [School of Medicine, Institute of Traditional Medicine, National Yang-Ming University, Taipei, Taiwan (China); Chen, Chun-Yao, E-mail: cychen@mail.tcu.edu.tw [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China); Tsai, Chun-Hao, E-mail: 100726105@stmail.tcu.edu.tw [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China); Lin, Chun-Nan, E-mail: lincna@cc.kmu.edu.tw [Faculty of Pharmacy, College of Pharmacy, Kaohsiung Medical University, Kaohsiung, Taiwan (China) [Faculty of Pharmacy, College of Pharmacy, Kaohsiung Medical University, Kaohsiung, Taiwan (China); Department of Biological Science and Technology, School of Medicine, China Medical University, Taichung, Taiwan (China); Hsu, Hsue-Yin, E-mail: hsueyin@mail.tcu.edu.tw [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)] [Department of Life Sciences, Tzu Chi University, Hualien, Taiwan (China)

    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 ?M. 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 ?M 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.

  17. Studies on the metabolism of juvenile hormone in the adult male Hyalophora cecropia (L.) (Lepidoptera, Saturniidae)†

    E-Print Network [OSTI]

    Shirk, Paul David

    1975-01-01

    extent exchange of the methyl ester group with the S-methyl group of methionine. ACKNCWLEDGEMENTS This work was supported by Grant No. BMS7201892-A03 from the National Science Foundation to Dr. H. Roller and Dr . K. H. Dahm. I wish to thank... INTRODUCTION. MATERIALS AND METHODS. Animals Chemicals. Radi o chemi ca l s 1'nj ection of Animals. 2'he Surgical Removal of Berold 's Ongan. . . . . Or gan Cul tuz'e Extz'action 1. . . . . . , . . . . . . . . . . . . . . . . . . . . , . Ez tvacti on...

  18. Numerical models of phosphate esters in the Chattahoochee River

    E-Print Network [OSTI]

    Haffey, Samuel Fraad, 1973-

    2004-01-01

    A numerical model was constructed to assess the magnitude of organophosphoric acid triester sinks in the Chattahoochee River and to identify concentration patterns downstream of point source discharges. The model was built ...

  19. Springer-Verlag Berlin Heidelberg 2003 Bioaccumulation of Phthalate Esters

    E-Print Network [OSTI]

    Gobas, Frank

    Science Section, Institute of Ocean Sciences, Sidney, British Columbia,V8L 4B2, Canada 3 Exxon Mobil

  20. Biodegradable PAMAM ester for enhanced transfection efficiency with low cytotoxicity

    E-Print Network [OSTI]

    Park, Jong-Sang

    more toxicity than anionic or neutral dendrimers with terminal carboxylates or hydroxyl groups [12≠14]. PAMAM≠OH dendrimers have the same structure as PAMAM≠NH2 dendrimers (PAMAM) except the surface amine groups of PAMAM≠NH2 alternate with hydroxyl groups. PAMAM≠OH is relatively nontoxic due to the absence

  1. Quantitative relationships between structure and reactivity of aliphatic esters

    E-Print Network [OSTI]

    Yager, Billy Joe

    1960-01-01

    conducted, the re. . ct ion c end it iona vary vide ly from one study to another. Ihorofore& it ws felt th. t a conprehens ive study should bc n. ". de of c large nur. ber of rotors under 1 don! 1cal re". ct ion conditions co th . t ths v". ri. . t ion... const nto were obtsined. . 'icvevcr, in this rescorch 40 ~ diox ns v-o used with consistent rec its, (purthor work in this lcbor cr?hcs shotm c. -n "intent results o. . =. bc obtsinod wiih ~(1 ~ dioxnne by vol&no, ) 2:. . ~rc;f ~&0. diox:m by vol c:c...

  2. Perfluoro Aryl Boronic Esters as Chemical Shuttle Additives | Department of

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious RankADVANCED MANUFACTURINGEnergy Bills andOrder 422.1, CONDUCT PDepartment of EnergyA ReviewAugust

  3. Poly ([beta]-amino ester)s as pH sensitive biomaterials for microparticulate genetic vaccine delivery

    E-Print Network [OSTI]

    Little, Steven (Steven Ronald)

    2005-01-01

    Genetic vaccination is the administration of nucleic acids to induce cellular expression of antigens, leading to an immune response. Unlike traditional vaccines, this technology has tremendous potential for treating or ...

  4. Project Profile: Deep Eutectic Salt Formulations Suitable as...

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

    less than 80C, vapor pressure less than 5 atmospheres to about 500C, specific gravity in the range of 0.7-1.7 to about 500C, heat capacity in the range of 2-5 JgK to...

  5. Cobalt doped lanthanum chromite material suitable for high temperature use

    DOE Patents [OSTI]

    Ruka, R.J.

    1986-12-23

    A high temperature, solid electrolyte electrochemical cell, subject to thermal cycling temperatures of between about 25 C and about 1,200 C, capable of electronic interconnection to at least one other electrochemical cell and capable of operating in an environment containing oxygen and a fuel, is made; where the cell has a first and second electrode with solid electrolyte between them, where an improved interconnect material is applied along a portion of a supporting electrode; where the interconnect is made of a chemically modified lanthanum chromite, containing cobalt as the important additive, which interconnect allows for adjustment of the thermal expansion of the interconnect material to more nearly match that of other cell components, such as zirconia electrolyte, and is stable in oxygen containing atmospheres such as air and in fuel environments. 2 figs.

  6. Predicting suitable environments and potential occurrences for coelacanths (Latimeria spp.)

    E-Print Network [OSTI]

    Owens, Hannah L.; Bentley, Andrew C.; Peterson, A. Townsend

    2011-01-01

    ). Latimeria chalumnae is now known to inhabit a range encompassing the east coast of Africa from Kenya to South Africa, and extending east to Madagascar and the Comoros Islands. In 1997, a second species of coelacanth, L. menadoensis, was discovered off... coelacanth species. Among these areas are several previously postulated as harboring coelacanths (although sightings remain unconfirmed), including localities locations off the northern coast of Madagascar and the islands of Mwali and Maore in the Comoros...

  7. Composition suitable for decontaminating a porous surface contaminated with cesium

    DOE Patents [OSTI]

    Kaminski, Michael D.; Finck, Martha R.; Mertz, Carol J.

    2010-06-15

    A method of decontaminating porous surfaces contaminated with water soluble radionuclides by contacting the contaminated porous surfaces with an ionic solution capable of solubilizing radionuclides present in the porous surfaces followed by contacting the solubilized radionuclides with a gel containing a radionuclide chelator to bind the radionuclides to the gel, and physically removing the gel from the porous surfaces. A dry mix is also disclosed of a cross-linked ionic polymer salt, a linear ionic polymer salt, a radionuclide chelator, and a gel formation controller present in the range of from 0% to about 40% by weight of the dry mix, wherein the ionic polymer salts are granular and the non cross-linked ionic polymer salt is present as a minor constituent.

  8. Shifting suitability for malaria vectors across Africa with warming climates

    E-Print Network [OSTI]

    Peterson, A. Townsend

    2009-05-10

    Background Climates are changing rapidly, producing warm climate conditions globally not previously observed in modern history. Malaria is of great concern as a cause of human mortality and morbidity, particularly across Africa, thanks in large part...

  9. Specifying linepipe suitable for safe operation in sour wet service

    SciTech Connect (OSTI)

    Moore, E.M. Jr.; Hansen, D.A.

    1981-01-01

    The specifications recommended for buying linepipe for wet, sour service are described. A two-fold approach is used. First the linepipe is tested to verify that it is resistant to hydrogen induced cracking (HIC). Second, fracture mechanics requirements are imposed so that if hydrogen induced cracking does occur due to steel-making or operation upsets, a line rupture is guaranteed to self-arrest, thus minimizing the consequences of the failure. Correlations of HIC susceptibility test results with actual service performance are presented. The HIC test acceptance criteria used by the authors are discussed. The fracture mechanics considerations include drop weight tear testing to establish ductile failures and Charpy impact testing to assure self-arrest of an unstable crack, as well as maximum crack initiation energy. The paper concludes with a brief discussion of the commercial availability of linepipe produced to the specifications discussed below.

  10. Specifying linepipe suitable for safe operation in sour, wet service

    SciTech Connect (OSTI)

    Moore, E.M.; Hansen, D.A.

    1982-06-01

    This paper describes the specifications recommended by the authors for buying linepipe in grades up to X-70 for wet, sour service. The linepipe is tested to verify that it is resistant to hydrogen-induced cracking (HIC). In addition, fracture control requirements are imposed so that if a failure does occur for any reason, the crack is guaranteed to self arrest, thus minimizing the consequences of the failure. Pipe meeting the specifications described in this paper is readily available from numerous European and Japanese mills.

  11. Suitability of nanodiamond NV centers for spontaneous emission control experiments

    E-Print Network [OSTI]

    Mohtashami, Abbas

    2012-01-01

    NV centers in diamond are generally recognized as highly promising as indefinitely stable highly efficient single-photon sources. We report an experimental quantification of the brightness, radiative decay rate, nonradiative decay rate and quantum efficiency of single NV centers in diamond nanocrystals. Our experiments show that the commonly observed large spread in fluorescence decay rates of NV centers in nanodiamond is inconsistent with the common explanation of large nanophotonic mode-density variations in the ultra-small high-index crystals at near-unity quantum efficiency. We report that NV centers in 25 nm nanocrystals are essentially insensitive to local density of states (LDOS) variations that we induce at a dielectric interface by using liquids to vary the refractive index, and propose that quantum efficiencies in such nanocrystals are widely distributed between 0% and 20%. For single NV centers in larger 100 nm nanocrystals, we show that decay rate changes can be reversibly induced by nanomechanica...

  12. Suitability of nanodiamond NV centers for spontaneous emission control experiments

    E-Print Network [OSTI]

    Abbas Mohtashami; A. Femius Koenderink

    2012-12-20

    NV centers in diamond are generally recognized as highly promising as indefinitely stable highly efficient single-photon sources. We report an experimental quantification of the brightness, radiative decay rate, nonradiative decay rate and quantum efficiency of single NV centers in diamond nanocrystals. Our experiments show that the commonly observed large spread in fluorescence decay rates of NV centers in nanodiamond is inconsistent with the common explanation of large nanophotonic mode-density variations in the ultra-small high-index crystals at near-unity quantum efficiency. We report that NV centers in 25 nm nanocrystals are essentially insensitive to local density of states (LDOS) variations that we induce at a dielectric interface by using liquids to vary the refractive index, and propose that quantum efficiencies in such nanocrystals are widely distributed between 0% and 20%. For single NV centers in larger 100 nm nanocrystals, we show that decay rate changes can be reversibly induced by nanomechanically approaching a mirror to change the LDOS. Using this scanning mirror method, for the first time we report calibrated quantum efficiencies of NV centers, and show that different but nominally identical nanocrystals have widely distributed quantum efficiencies between 10% and 90%. Our measurements imply that nanocrystals that are to be assembled into hybrid photonic structures for cavity QED should first be individually screened to assess fluorescence properties in detail.

  13. Substrates suitable for deposition of superconducting thin films

    DOE Patents [OSTI]

    Feenstra, Roeland (Oak Ridge, TN); Boatner, Lynn A. (Oak Ridge, TN)

    1993-01-01

    A superconducting system for the lossless transmission of electrical current comprising a thin film of superconducting material Y.sub.1 Ba.sub.2 Cu.sub.3 O.sub.7-x epitaxially deposited upon a KTaO.sub.3 substrate. The KTaO.sub.3 is an improved substrate over those of the prior art since the it exhibits small lattice constant mismatch and does not chemically react with the superconducting film.

  14. Methodology using process integration for identifying suitable Organic Rankine

    E-Print Network [OSTI]

    Ahrendt, Wolfgang

    .bendig@epfl.ch World energy-related CO emission savings by policy measure in the 450 scenario of the IEA. Source:IEA Energy Outlook, volume 2009. OECD/IEA, Paris. Maréchal, F., 2008, Pinch analysis, Chapter 3

  15. Influence of climatic niche suitability and geographical overlap on

    E-Print Network [OSTI]

    Gugger, Paul F.

    Investigacion en Recursos Cinegeticos ≠ IREC (CSIC, UCLM, JCCM), E-13005 Ciudad Real, Spain, 4 Conservation

  16. ORNL/TM-2002/270 SUITABILITY OF AGENT

    E-Print Network [OSTI]

    Potok, Thomas E.

    COMBAT SYSTEM ENVIRONMENT Thomas E. Potok Andrew S. Loebl Oak Ridge National Laboratory Laurence Phillips for Military Command and Control in the Future Combat System Environment Thomas Potok, 1 Laurence Phillips, 2, New Mexico PO Box 5800, Mail Stop 0455 Advanced Information and Control Systems Albuquerque, New

  17. Evaluating the Ecological Suitability of Woodland Grant Schemes in Lochaber†

    E-Print Network [OSTI]

    Thomas, Haydn

    2014-11-27

    case study of the Lochaber Forest District in Northwest Scotland. Spatial analysis using Geographical Information Systems (GIS) is used to assess the extent to which woodland creation is suited to site conditions. This is further explored through in...

  18. Validity of ELTB Equation for Suitable Description of BEC

    SciTech Connect (OSTI)

    Kim, Dooyoung; Kim, Jinguanghao; Yoon, Jin-Hee

    2005-10-17

    The Bose-Einstein condensation (BEC) has been found for various alkali-metal gases such as 7Li, 87Rb, Na, and H. For the description of atoms in this condensate state, the Gross-Pitaevskii (GP) equation has been widely used. However, the GP equation contains the nonlinear term, which makes this equation hard to solve. Therefore, physical quantities are usually obtained numerically, and sometimes it is difficult to extract a physical meaning from the calculated results. The nuclear theory group at Purdue University in the U.S. developed a new simple equation, the equivalent linear two-body (ELTB) equation, using the hyper-radius coordinates and tested it for one-dimensional BEC system. Their results are consistent with the numerical values from the GP equation within 4.5%.We test the validity of the ELTB equation for three-dimensional BEC system by calculating the energies per particle and the wave functions for 87Rb gas and for 7Li gas. We use the quantum-mechanical variational method for the BEC energy. Our result for 87Rb gas agrees with a numerical calculation based on the GP equation, with a relative error of 12% over a wide range of N from 100 to 10,000. The relative distances between particles for 7Li gas are consistent within a relative error of 17% for N {<=} 1300. The relatively simple form of the ELTB equation, compared with the GP equation, enables us to treat the N-body system easily and efficiently. We conclude that the ELTB equation is a powerful equation for describing BEC system because it is easy to treat.

  19. Site Suitability and Hazard Assessment Guide for Small Modular Reactors

    SciTech Connect (OSTI)

    Wayne Moe

    2013-10-01

    Commercial nuclear reactor projects in the U.S. have traditionally employed large light water reactors (LWR) to generate regional supplies of electricity. Although large LWRs have consistently dominated commercial nuclear markets both domestically and abroad, the concept of small modular reactors (SMRs) capable of producing between 30 MW(t) and 900 MW(t) to generating steam for electricity is not new. Nor is the idea of locating small nuclear reactors in close proximity to and in physical connection with industrial processes to provide a long-term source of thermal energy. Growing problems associated continued use of fossil fuels and enhancements in efficiency and safety because of recent advancements in reactor technology suggest that the likelihood of near-term SMR technology(s) deployment at multiple locations within the United States is growing. Many different types of SMR technology are viable for siting in the domestic commercial energy market. However, the potential application of a particular proprietary SMR design will vary according to the target heat end-use application and the site upon which it is proposed to be located. Reactor heat applications most commonly referenced in connection with the SMR market include electric power production, district heating, desalinization, and the supply of thermal energy to various processes that require high temperature over long time periods, or a combination thereof. Indeed, the modular construction, reliability and long operational life purported to be associated with some SMR concepts now being discussed may offer flexibility and benefits no other technology can offer. Effective siting is one of the many early challenges that face a proposed SMR installation project. Site-specific factors dealing with support to facility construction and operation, risks to the plant and the surrounding area, and the consequences subsequent to those risks must be fully identified, analyzed, and possibly mitigated before a license will be granted to construct and operate a nuclear facility. Examples of significant site-related concerns include area geotechnical and geological hazard properties, local climatology and meteorology, water resource availability, the vulnerability of surrounding populations and the environmental to adverse effects in the unlikely event of radionuclide release, the socioeconomic impacts of SMR plant installation and the effects it has on aesthetics, proximity to energy use customers, the topography and area infrastructure that affect plant constructability and security, and concerns related to the transport, installation, operation and decommissioning of major plant components.

  20. The suitability of coal gasification in India's energy sector

    E-Print Network [OSTI]

    Simpson, Lori Allison

    2006-01-01

    Integrated Gasification Combined Cycle (IGCC), an advanced coal-based power generation technology, may be an important technology to help India meet its future power needs. It has the potential to provide higher generating ...

  1. Electromechanical battery design suitable for back-up power applications

    DOE Patents [OSTI]

    Post, Richard F. (Walnut Creek, CA)

    2002-01-01

    The windings that couple energy into and out of the rotor of an electro-mechanical battery are modified. The normal stator windings of the generator/motor have been replaced by two orthogonal sets of windings. Because of their orthogonality, they are decoupled from each other electrically, though each can receive (or deliver) power flows from the rotating field produced by the array of permanent magnets. Due to the orthogonal design of the stator windings and the high mechanical inertia of the flywheel rotor, the resulting power delivered to the computer system is completely insensitive to any and all electrical transients and variabilities of the power from the main power source. This insensitivity includes complete failure for a period determined only by the amount of stored kinetic energy in the E-M battery modules that are supplied. Furthermore there is no need whatsoever for fast-acting, fractional-cycle switches, such as are employed in conventional systems, and which are complicated to implement.

  2. 5 CFR 731, Suitability - Drug Testing for DOE Positions

    Broader source: Energy.gov (indexed) [DOE]

    Sfmt 8010 Y:SGML214009.XXX 214009 yshivers on PROD1PC62 with CFR 30 5 CFR Ch. I (1-1-08 Edition) 731.102 has a natural tendency to affect, an of- ficial decision. 731.102...

  3. Triple inverter pierce oscillator circuit suitable for CMOS

    DOE Patents [OSTI]

    Wessendorf; Kurt O. (Albuquerque, NM)

    2007-02-27

    An oscillator circuit is disclosed which can be formed using discrete field-effect transistors (FETs), or as a complementary metal-oxide-semiconductor (CMOS) integrated circuit. The oscillator circuit utilizes a Pierce oscillator design with three inverter stages connected in series. A feedback resistor provided in a feedback loop about a second inverter stage provides an almost ideal inverting transconductance thereby allowing high-Q operation at the resonator-controlled frequency while suppressing a parasitic oscillation frequency that is inherent in a Pierce configuration using a "standard" triple inverter for the sustaining amplifier. The oscillator circuit, which operates in a range of 10 50 MHz, has applications for use as a clock in a microprocessor and can also be used for sensor applications.

  4. Impedance Spectroscopy Systems Suitable for Biomedical Cell Impedance Measurement†

    E-Print Network [OSTI]

    Huang, Hao

    2013-06-03

    Impedance spectroscopy (IS) is an important technique for monitoring and detection of biomaterials. In order to enable point-of-care systems, low-cost IS systems capable of rapidly measuring a wide range of biomaterials ...

  5. Gray squirrel density, habitat suitability, and behavior in urban parks

    E-Print Network [OSTI]

    Gompper, Matthew E.

    densities. We used linear regression (SAS Institute, SAS/STAT user's guide. SAS Institute, Cary, NC, 2005

  6. Carbon nanostructures on silicon substrates suitable for nanolithography

    SciTech Connect (OSTI)

    Abdi, Y.; Mohajerzadeh, S.; Hoseinzadegan, H.; Koohsorkhi, J.

    2006-01-30

    We report the application of vertically grown carbon nanotubes (CNTs) for submicron and nanolithography. The growth of CNTs is performed on silicon substrates using a nickel-seeded plasma-enhanced chemical vapor deposition method at a temperature of 650 deg. C and with a mixture of C{sub 2}H{sub 2} and H{sub 2}. The grown CNTs are encapsulated by a titanium-dioxide film and then mechanically polished to expose the buried nanotubes, and a plasma ashing step finalizes the process. The emission of electrons from the encapsulated nanotubes is used to write patterns on a resist-coated substrate placed opposite to the main CNT holding one. Scanning electron microscope has been used to investigate the nanotubes and the formation of nano-metric lines. Also a novel approach is presented to create isolated nanotubes from a previously patterned cluster growth.

  7. AMO Requests Technical Topics Suitable for a Manufacturing Innovation...

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

    Institute April 17, 2014 - 12:23pm Addthis The Advanced Manufacturing Office (AMO) seeks information on mid-Technology Readiness Level (TRL) research and development (R&D) needs,...

  8. Cobalt doped lanthanum chromite material suitable for high temperature use

    DOE Patents [OSTI]

    Ruka, Roswell J. (Churchill, PA)

    1986-01-01

    A high temperature, solid electrolyte electrochemical cell, subject to thermal cycling temperatures of between about 25.degree. C. and about 1200.degree. C., capable of electronic interconnection to at least one other electrochemical cell and capable of operating in an environment containing oxygen and a fuel, is made; where the cell has a first and second electrode with solid electrolyte between them, where an improved interconnect material is applied along a portion of a supporting electrode; where the interconnect is made of a chemically modified lanthanum chromite, containing cobalt as the important additive, which interconnect allows for adjustment of the thermal expansion of the interconnect material to more nearly match that of other cell components, such as zirconia electrolyte, and is stable in oxygen containing atmospheres such as air and in fuel environments.

  9. Recombinant hosts suitable for simultaneous saccharification and fermentation

    DOE Patents [OSTI]

    Ingram, Lonnie O'Neal; Zhou, Shengde

    2007-06-05

    The invention provides recombinant host cells containing at least one heterologous polynucleotide encoding a polysaccharase under the transcriptional control of a surrogate promoter capable of increasing the expression of the polysaccharase. In addition, the invention further provides such hosts with genes encoding secretory protein/s to facilitate the secretion of the expressed polysaccharase. Preferred hosts of the invention are ethanologenic and capable of carrying out simultaneous saccharification fermentation resulting in the production of ethanol from complex cellulose substrates.

  10. Process Reform, Security and Suitability- December 17, 2008

    Broader source: Energy.gov [DOE]

    This is to report on the progress made to improve the timeliness and effectiveness of our hiring and clearing decisions and the specific plan to reform the process further, in accordance with our initial proposals made in April ofthis year.

  11. Estimating Rooftop Suitability for PV: A Review of Methods, Patents...

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

    For researchers looking to understand the market potential of rooftop-installed photovoltaics (PV) in particular, understanding the amount and characteristics of rooftop space...

  12. Intelligent Unmanned Vehicle Systems Suitable For Individual or Cooperative Missions

    SciTech Connect (OSTI)

    Matthew O. Anderson; Mark D. McKay; Derek C. Wadsworth

    2007-04-01

    The Department of Energyís Idaho National Laboratory (INL) has been researching autonomous unmanned vehicle systems for the past several years. Areas of research have included unmanned ground and aerial vehicles used for hazardous and remote operations as well as teamed together for advanced payloads and mission execution. Areas of application include aerial particulate sampling, cooperative remote radiological sampling, and persistent surveillance including real-time mosaic and geo-referenced imagery in addition to high resolution still imagery. Both fixed-wing and rotary airframes are used possessing capabilities spanning remote control to fully autonomous operation. Patented INL-developed auto steering technology is taken advantage of to provide autonomous parallel path swathing with either manned or unmanned ground vehicles. Aerial look-ahead imagery is utilized to provide a common operating picture for the ground and air vehicle during cooperative missions. This paper will discuss the various robotic vehicles, including sensor integration, used to achieve these missions and anticipated cost and labor savings.

  13. Solid Lithium Ion Conducting Electrolytes Suitable for Manufacturing

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effect Photovoltaics -7541C. Temperature and energy Most basically,Processes -

  14. High elastic modulus polymer electrolytes suitable for preventing thermal

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfate Reducing(Journal Article)lasers (Journal Article)SciTech Connect HighHigh elastic

  15. High elastic modulus polymer electrolytes suitable for preventing thermal

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfate Reducing(Journal Article)lasers (Journal Article)SciTech Connect HighHigh elasticrunaway in

  16. AMO Requests Technical Topics Suitable for a Manufacturing Innovation

    Broader source: Energy.gov (indexed) [DOE]

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustmentsShirleyEnergyTher i n c i p a l De p u t y A s s iof1AGGIEAL2007-04.pdfALF HOUSEWestFeb.|Institute

  17. Request for Information (RFI): Clean Energy Manufacturing Topics Suitable

    Energy Savers [EERE]

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on DeliciousMathematicsEnergyInterestedReplacement-2-A Wholesale Power RateEnergy Exclusionsfor a Manufacturing

  18. Open Archive TOULOUSE Archive Ouverte (OATAO) OATAO is an open access repository that collects the work of Toulouse researchers and

    E-Print Network [OSTI]

    Mailhes, Corinne

    from waste cooking oil: a technological review. (2013) Chemical Engineering Journal, vol. 233 . pp. 201 waste cooking oil in fatty acid methyl esters. Intensified technologies are compared on mass intensification Biodiesel Waste cooking oil Transesterification Esterification Hydrolysis a b s t r a c

  19. Macrophage Polarization And Nitric Oxide Mechanisms In Lymphatic Dysfunction In A Rat Model Of Metabolic Syndrome†

    E-Print Network [OSTI]

    Zawieja, Scott D

    2014-12-10

    ). The reactive oxygen species scavenging agent 4-hydroxy-2,2,6,6-tetramethylpiperidine-N-oxyl (TEMPOL) did not restore flow sensitivity, however control vessels treated with the nitric oxide synthase inhibitor L-NG-nitro arginine methyl ester (LNAME) had...

  20. Formation Kinetics of Nitric Oxide of Biodiesel Relative to Petroleum Diesel under Comparable Oxygen Equivalence Ratio in a Homogeneous Reactor†

    E-Print Network [OSTI]

    Rathore, Gurlovleen K.

    2011-10-21

    of the methyl esters relative to the n-heptane in biodiesel surrogate perhaps indicates the favorable role of fuel-bound oxygen in the fuelís combustion. The low utilization of oxygen by the biodiesel surrogate could not be explained in this study. The dominance...

  1. First-principles investigation of organic photovoltaic materials C[subscript 60],†C[subscript 70],†[C[subscript 60

    E-Print Network [OSTI]

    Qian, Xiaofeng

    We present a first-principles investigation of the excited-state properties of electron acceptors in organic photovoltaics including C[subscript 60],†C[subscript 70], [6,6]-phenyl-C[subscript 61]-butyric-acid-methyl-ester ...

  2. Enantioselective Total Synthesis of Ustiloxin D Hiroko Tanaka, Andrew M. Sawayama, and Thomas J. Wandless*

    E-Print Network [OSTI]

    Wandless, Tom

    , the substituents on the aromatic ring, and the structure of the side chain attached to the macrocycle. Several in their synthesis include the use of a nucleophilic aromatic substitution reaction to construct the chiral tertiaryCO3 in THF and methanol coincidently epimerized the methyl ester and hydrolyzed the aryl acetate

  3. The role of nitric oxide in testosterone-induced vasodilation in pig coronary arteries and rat thoracic aorta†

    E-Print Network [OSTI]

    Piefer, Jason William

    2013-02-22

    arteries from exercised and sedentary, female Yucatan Mini-Swine were treated with N[]-nitro-L-arginine methyl ester (L-NAME) to inhibit nitric oxide synthase (NOS). Following blockade of NOS, seven cumulative doses (5 []M to 300 []M) of testosterone...

  4. www.MaterialsViews.com www.advenergymat.de

    E-Print Network [OSTI]

    Cincinnati, University of

    Solar Cells Using Coaxial Electrospinning Nanofibers consisting of the bulk heterojunction organic methyl ester (P3HT:PCBM) are produced through a coaxial electrospinning process. While P3HT:PCBM blends electrospinning by selec- tively removing the PCL sheath with cyclopentanone (average diameter 120 Ī 30 nm

  5. BEHAVIOR, CHEMICAL ECOLOGY Role of Bacteria in Mediating the Oviposition Responses

    E-Print Network [OSTI]

    these substrates and from an organic infusion made with oak leaves. Through fatty acid-methyl ester analyses, six isolates from oak leaf infusion were identiřed to species. The response of gravid (from soil-contaminated cotton towels), and an undetermined Bacillus species (from oak leaf infusion

  6. Process for the synthesis of unsaturated alcohols

    SciTech Connect (OSTI)

    Maughon, Bob R.; Burdett, Kenneth A.; Lysenko, Zenon

    2007-02-13

    A process of preparing an unsaturated alcohol (olefin alcohol), such as, a homo-allylic mono-alcohol or homo-allylic polyol, involving protecting a hydroxy-substituted unsaturated fatty acid or fatty acid ester, such as methyl ricinoleate, derived from a seed oil, to form a hydroxy-protected unsaturated fatty acid or fatty acid ester; homo-metathesizing or cross-metathesizing the hydroxy-protected unsaturated fatty acid or fatty acid ester to produce a product mixture containing a hydroxy-protected unsaturated metathesis product; and deprotecting the hydroxy-protected unsaturated metathesis product under conditions sufficient to prepare the unsaturated alcohol. Preferably, methyl ricinoleate is converted by cross-metathesis or homo-metathesis into the homo-allylic mono-alcohol 1-decene-4-ol or the homo-allylic polyol 9-octadecene-7,12-diol, respectively.

  7. Fluorine Substituted Conjugated Polymer of Medium Band Gap Yields 7% Efficiency in Polymer--Fullerene Solar Cells

    SciTech Connect (OSTI)

    Price, S C; Stuart, Andrew C.; Yang, L; Zhou, H; You, Wei

    2011-01-01

    Recent research advances on conjugated polymers for photovoltaic devices have focused on creating low band gap materials, but a suitable band gap is only one of many performance criteria required for a successful conjugated polymer. This work focuses on the design of two medium band gap (?2.0 eV) copolymers for use in photovoltaic cells which are designed to possess a high hole mobility and low highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels. The resulting fluorinated polymer PBnDT?FTAZ exhibits efficiencies above 7% when blended with [6,6]-phenyl C{sub 61}-butyric acid methyl ester in a typical bulk heterojunction, and efficiencies above 6% are still maintained at an active layer thicknesses of 1 ?m. PBnDT?FTAZ outperforms poly(3-hexylthiophene), the current medium band gap polymer of choice, and thus is a viable candidate for use in highly efficient tandem cells. PBnDT?FTAZ also highlights other performance criteria which contribute to high photovoltaic efficiency, besides a low band gap.

  8. Copper Catalyzed Oceanic Methyl Halide Production

    E-Print Network [OSTI]

    Robin Kim, Jae Yun; Rhew, Robert

    2014-01-01

    gas exchange between the water and air. After each samplehalides from the water to the air, representing productionhalides from the water to the air. Possible drivers of this

  9. Acute aquatic toxicity of biodiesel fuels

    SciTech Connect (OSTI)

    Wright, B.; Haws, R.; Little, D.; Reese, D.; Peterson, C.; Moeller, G.

    1995-12-31

    This study develops data on the acute aquatic toxicity of selected biodiesel fuels which may become subject to environmental effects test regulations under the US Toxic Substances Control Act (TSCA). The test substances are Rape Methyl Ester (RME), Rape Ethyl Ester (REE), Methyl Soyate (MS), a biodiesel mixture of 20% REE and 80% Diesel, a biodiesel mixture of 50% REE and diesel, and a reference substance of Phillips D-2 Reference Diesel. The test procedure follows the Daphnid Acute Toxicity Test outlined in 40 CFR {section} 797.1300 of the TSCA regulations. Daphnia Magna are exposed to the test substance in a flow-through system consisting of a mixing chamber, a proportional diluter, and duplicate test chambers. Novel system modifications are described that accommodate the testing of oil-based test substances with Daphnia. The acute aquatic toxicity is estimated by an EC50, an effective concentration producing immobility in 50% of the test specimen.

  10. The rapid synthesis of oxazolines and their heterogeneous oxidation to oxazoles under flow conditions

    E-Print Network [OSTI]

    GlŲckner, Steffen; Tran, Duc N.; Ingham, Richard J.; Fenner, Sabine; Wilson, Zoe E.; Battilocchio, Claudio; Ley, Steven V.

    2014-10-28

    in the Python pro- gramming language35,36 and running on a Raspberry Piģ microcomputer37 controlled the individual reactor components according to a pre-programmed sequence of timed actions, to co- ordinate the pumps and valves to perform the reactions. Using... (4S,5S)-2-(4-Chlorophenyl)-5-methyl-4,5-dihydrooxazole-4-carb- oxylic acid methyl ester (2b). 1H-NMR (600 MHz, CDCl3) ? = Scheme 6 Automated oxidation of oxazolines using a Raspberry Piģ computer and a multiple position valve. Organic & Biomolecular...

  11. Histone methylation marks play important roles in predicting the methylation status of CpG islands

    E-Print Network [OSTI]

    and Bioinformatics Division, TNLIST/Department of Automation, Tsinghua University, FIT Building 1-107, Beijing 100084, China b School of Automation Engineering, University of Electronic Science and Technology of China

  12. The Role of the Ocean in the Atmospheric Budgets of Methyl Bromide, Methyl Chloride and Methane†

    E-Print Network [OSTI]

    Hu, Lei

    2012-10-19

    , which was 700 (490 to 920) Gg yr^-1 and -370 (-440 to -280) Gg yr^-1, respectively. The ocean accounts for 10 - 19 % in the global CH3Cl emission and 6 - 9 % in its global sinks. Methane (CH4) is a potent greenhouse gas, which has a warming potential...

  13. Detailed chemical kinetic reaction mechanism for biodiesel components methyl stearate and methyl oleate

    E-Print Network [OSTI]

    Paris-Sud XI, Universitť de

    with more conventional hydrocarbon fuels for which experimental results are available. Additional;1. Introduction Biofuels have the potential to supplement conventional petroleumbased transportation fuels emissions of CO, unburned hydrocarbons, and soot [14]. The principal components of both soy and rapeseed

  14. Process analysis and optimization of biodiesel production from vegetable oils†

    E-Print Network [OSTI]

    Myint, Lay L.

    2009-05-15

    ???????????????????????? 12 2.3 Fatty Acid Methyl Ester???????????????????. 12 2.4 Comparison of Different Oil Prices in the United States??????... 15 2.5 Biodiesel Production Plant Capacities using Different Feedstocks??... 16 2.6 Molecular Structure of Soap...?????????????????.. 18 2.7 Emulsification of Bioidiesel by Soap??????????????. 18 2.8 Intermediate Steps in Biodiesel Transesterification????????... 21 3.1 Schematic of Proposed Process Design?????????????. 26 4.1 Process Synthesis?????????????????????... 27 4...

  15. LLNL Chemical Kinetics Modeling Group

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  16. Design and Analysis of Flexible Biodiesel Processes with Multiple Feedstocks†

    E-Print Network [OSTI]

    Pokoo-Aikins, Grace Amarachukwu

    2011-10-21

    oil and methyl esters of other oils as diesel fuel (Knothe et al., 1997, Knothe, 2001). Prior to World War II biodiesel continued to be developed and utilized but widespread use of biodiesel was deterred by the low cost of petroleum derived fuels... and non-food crops, wastes, genetically engineered and recombinant sources (such as plants and microorganisms), oils and other sources that do not fit into any of these categories. The focus for a sustainable biorefinery is agricultural, food industry...

  17. Direct conversion of algal biomass to biofuel

    DOE Patents [OSTI]

    Deng, Shuguang; Patil, Prafulla D; Gude, Veera Gnaneswar

    2014-10-14

    A method and system for providing direct conversion of algal biomass. Optionally, the method and system can be used to directly convert dry algal biomass to biodiesels under microwave irradiation by combining the reaction and combining steps. Alternatively, wet algae can be directly processed and converted to fatty acid methyl esters, which have the major components of biodiesels, by reacting with methanol at predetermined pressure and temperature ranges.

  18. Summary and perspectives Chapter 10

    E-Print Network [OSTI]

    van den Brink, Jeroen

    , sterol esters/wax esters (SE/WE), triglycerides (TG) and dihydroxy wax esters (DIOL). All SC barrier

  19. Electronic Trap States in Methanofullerenes

    E-Print Network [OSTI]

    Julia Schafferhans; Carsten Deibel; Vladimir Dyakonov

    2011-07-18

    The trap states in three fullerene derivatives, namely PC61BM ([6,6]-phenyl C61 butyric acid methyl ester), bisPC61BM (bis[6,6]-phenyl C61 butyric acid methyl ester) and PC71BM ([6,6]-phenyl C71 butyric acid methyl ester), are investigated by thermally stimulated current measurements (TSC). Thereby, the lower limit of the trap densities for all studied methanofullerenes exhibits values in the order of 10^22 m^-3 with the highest trap density in bisPC61BM and the lowest in PC61BM. Fractional TSC measurements on PC61BM reveal a broad trap distribution instead of discrete trap levels with activation energies ranging from 15 meV to 270 meV and the maximum at about 75 meV. The activation energies of the most prominent traps in the other two fullerene derivatives are significantly higher, being at 96 meV and 223 meV for PC71BM and 184 meV for bisPC61BM, respectively. The influence of these findings on the performance of organic solar cells is discussed.

  20. Production of Succinic Acid for Lignocellulosic Hydrolysates

    SciTech Connect (OSTI)

    Davison, B.H.; Nghiem, J.

    2002-06-01

    The purpose of this Cooperative Research and Development Agreement (CRADA) is to add and test new metabolic activities to existing microbial catalysts for the production of succinic acid from renewables. In particular, they seek to add to the existing organism the ability to utilize xylose efficiently and simultaneously with glucose in mixtures of sugars or to add succinic acid production to another strain and to test the value of this new capability for production of succinic acid from industrial lignocellulosic hydrolyasates. The Contractors and Participant are hereinafter jointly referred to as the 'Parties'. Research to date in succinic acid fermentation, separation and genetic engineering has resulted in a potentially economical process based on the use of an Escherichia coli strain AFP111 with suitable characteristics for the production of succinic acid from glucose. Economic analysis has shown that higher value commodity chemicals can be economically produced from succinic acid based on repliminary laboratory findings and predicted catalytic parameters. The initial target markets include succinic acid itself, succinate salts, esters and other derivatives for use as deicers, solvents and acidulants. The other commodity products from the succinic acid platform include 1,4-butanediol, {gamma}-butyrolactone, 2-pyrrolidinone and N-methyl pyrrolidinone. Current economic analyses indicate that this platform is competitive with existing petrochemical routes, especially for the succinic acid and derivatives. The report presents the planned CRADA objectives followed by the results. The results section has a combined biocatalysis and fermentation section and a commercialization section. This is a nonproprietary report; additional proprietary information may be made available subject to acceptance of the appropriate proprietary information agreements.

  1. Coordination Compounds of Strontium. Syntheses, Characterizations, and Crystal Structures of [Sr(u-ONc)(2)(HONc(4))]2 and Sr(5)(u(4)-O)(u(3)-ONep)(4)(u-ONep)(4)(HONep)(solv)(4) (ONc=O(2)CCH(2)CMe(3));Nep=CH(2)CMe(3); solv=tetrahydrofuran or 1-methyl-imida

    SciTech Connect (OSTI)

    Boyle, Timothy J.; Tafoya, Cory J.; Scott, Brian L.; Ziller, Joseph W.

    1999-07-21

    The authors have synthesized and characterized two novel Sr compounds: [Sr({mu}-ONc){sub 2}(HONc){sub 4}]{sub 2} (1, ONc = O{sub 2}CCH{sub 2}CMe{sub 3}), and Sr{sub 5}({mu}{sub 4}-O)({mu}{sub 3}-ONep){sub 4}({mu}-ONep){sub 4}(HONep)(solv){sub 4} [ONep = OCH{sub 2}CMe{sub 3}, solv = tetrahydrofuran (THF), 2a; 1-methyl-imidazole (MeIm), (2b)], that demonstrate increased solubility in comparison to the commercially available Sr precursors. The two metal centers of 1 share 4 unidentate bridging {mu}-ONc ligands and complete their octahedral geometry through the coordination of 4 monodentate terminal HONc ligands. The structure arrangement of the central core of 2a and b are identical, wherein 4 octahedral Sr atoms are arranged in a square geometry around a {mu}{sub 4}-O ligand. An additional 7-coordinated Sr atom sits directly atop the {mu}{sub 4}-O to form a square base pyramidal arrangement of the Sr atoms but the apical Sr-O distance is too long to be considered a bond. In solution, compound 1 is disrupted forming a monomer but 2a and b retain their structures.

  2. Biometal Catalyzed Ring-Opening Polymerization of Cyclic Esters: Ligand Design, Catalyst Stereoselectivity, and Copolymer Production†

    E-Print Network [OSTI]

    Karroonnirun, Osit

    2012-07-16

    . The reactivities of the various catalysts were greatly affected by substituents on the Schiff base ligands, with sterically bulky substituents being rate-enhancing. Furthermore, a series of both chiral and achiral aluminium half-salen complexes have been...

  3. DOI: 10.1002/adfm.200700419 Autonomic Healing of Epoxy Vinyl Esters via Ring Opening

    E-Print Network [OSTI]

    Sottos, Nancy R.

    the Grubbs' catalyst is encapsulated in paraffin wax microspheres.[5] These wax micro- spheres serve the dual. Protecting the catalyst from aggressive curing agents by encapsulation in wax microspheres increases chemistry, and demonstrate a viable healing system follow- ing wax protection of the catalyst. The size

  4. High activity of an indium alkoxide complex toward ring opening polymerization of cyclic esters

    E-Print Network [OSTI]

    Quan, SM; Diaconescu, PL

    2015-01-01

    and carbonate monomers 23 make their polymerization a promising area toward finding new biodegradable polymers.

  5. Saponification rates of isomeric butyl esters in aqueous 1,4-dioxane†

    E-Print Network [OSTI]

    Ruhnke, Edward Vincent

    1954-01-01

    stranded RNA ligands with overhangs or a 5í triphosphate group. The Cys951 residue was shown to disrupt stability of the MDA5 RD-RNA complex. Binding analyses were performed using a combination of SDS-PAGE, gel filtration analysis, and nondenaturing gel...

  6. Synthesis of 4-carboxy-4-pyridylpiperidines through palladium-catalyzed őĪ-arylation of esters

    E-Print Network [OSTI]

    Wang, Yong; Nair, Reji

    2007-01-01

    protocol by carrying out palladium-catalyzed a-arylation4-pyridylpiperidines through palladium-catalyzed a-arylationachieved. Key step is the palladium-catalyzed a-arylation of

  7. CuO nanoparticle filled vinyl-ester resin nanocomposites: Fabrication, characterization and property analysis

    E-Print Network [OSTI]

    Guo, John Zhanhu

    Angeles, CA 90095, USA Received 28 August 2006; received in revised form 4 November 2006; accepted 30 such as photovoltaic (solar) cells [11,12] and magnetic data storage. The func- tional groups of the polymer are normally steric interaction forces, van der Waals forces, or Lewis acid≠base interactions. However, in situ

  8. Mechanism of Soluble Epoxide Hydrolase FORMATION OF AN -HYDROXY ESTER-ENZYME INTERMEDIATE THROUGH Asp-333*

    E-Print Network [OSTI]

    Hammock, Bruce D.

    -1,3-diphenylpropene oxide (tDPPO) and cis-9,10-epoxystearic acid were syn- thesized and used that Asp-333 of sEH exhibited an increased mass. The attack by Asp-333 initiates enzymatic activity, lead selectivity for cyclic and arene oxides (4≠6). A great deal of work has provided a clear picture of the regio

  9. Biodegradable microfluidic scaffolds for tissue engineering from amino alcohol-based poly(ester amide) elastomers

    E-Print Network [OSTI]

    Wang, Jane

    Biodegradable polymers with high mechanical strength, flexibility and optical transparency, optimal degradation properties and biocompatibility are critical to the success of tissue engineered devices and drug delivery ...

  10. A quantitative study of the effect of structure on the saponification rates of aliphatic esters

    E-Print Network [OSTI]

    Gonzalez, Federico P

    1961-01-01

    . It has long been established that the basic hydrolyses of 1 eaters are second-order reactionsi The familiar study of rolanyi and Saabo has clearly shown that generally, acyl-oxygen bond 2 breakage occurs in the saponification reaction. In view... of these facts the following mechanism has been proposedt H C+ OH OR' 0 0 R C ? OH ~ k ? C ? OH+ OR' OR' ROOD + R' OH IA 1 ~ Fo Te Harder, Hero, 14 ' 1&61 (1881) ~ 2, H, P j yi d '. i. 8 b, T, ~td ' . , QO, 508 (1954). 5 ~ Xi S. Gould, "Nechanism ahd...

  11. Towards the Development of Biosynthetic Pathways for the Short Chain Acetate Ester Biosynthesis

    E-Print Network [OSTI]

    Palomec, Leidy Iracema

    2014-01-01

    50-fold increased in production of biohydrogen in E. coli (increases in the production of biohydrogen in E. coli 9,

  12. Michael-Stork Addition of Cyclopentyl Enamine to Allenyl Ketones and Esters

    E-Print Network [OSTI]

    Lepore, Salvatore D.

    -oxobicyclo[3.2.1]octane formation, providing evidence for the in situ formation of an enamine intermedi- ate reaction (Table 1). Proton NMR experiments of products 3 and 4 involving NOE enhancement were used

  13. A determination of the reactivity of some esters of oxalic acid with certain organic bases

    E-Print Network [OSTI]

    Rodgers, Charles H.

    1922-01-01

    OF BACHELOR OF SCIENCE IN CHEMICAL ENGINEERING. TP . . ; r i Ir&St 5 Q A 15 . i\\o> RodoQ-f s f\\ { c UA V & BY CHARLES H. RODGERS. 1922. RDDD55 3B45fc> Introduction. The purpose of this work was to determine the per≠ centage yields... to stand several minutes and filtered and washed with water. When the products were dried and the melting points determined it was found that products insoluble in alcohol all melted at 257į to 263į. The melting point of oxatoluid is record≠ -32- e d a...

  14. A Self-Destroying Polycationic Polymer: Biodegradable Poly(4-hydroxy-L-proline ester)

    E-Print Network [OSTI]

    Park, Jong-Sang

    be attached co- valently or noncovalently.12 Poly( -caprolactone) bearing either ketone or hydroxyl pendant-chain amine groups. Because side- chain carboxyl group-containing polymers become polyanionic and those with amine groups become polycationic, they can be used to attach the biologically active compounds via

  15. Synthesis of acid addition salt of delta-aminolevulinic acid from 5-bromo levulinic acid esters

    DOE Patents [OSTI]

    Moens, Luc (Lakewood, CO)

    2003-06-24

    A process of preparing an acid addition salt of delta-aminolevulinc acid comprising: a) dissolving a lower alkyl 5-bromolevulinate and hexamethylenetetramine in a solvent selected from the group consisting of water, ethyl acetate, chloroform, acetone, ethanol, tetrahydrofuran and acetonitrile, to form a quaternary ammonium salt of the lower alkyl 5-bromolevulinate; and b) hydrolyzing the quaternary ammonium salt with an inorganic acid to form an acid addition salt of delta-aminolevulinic acid.

  16. Advanced Biocatalytic Processing of Heterogeneous Lignocellulosic Feedstocks to a Platform Chemical Intermediate (Lactic acid Ester)

    SciTech Connect (OSTI)

    Dr. Sharon Shoemaker

    2004-09-03

    The development of commercial boi-based processes and products derived from agricultural waste biomass has the potential for significant impact on the economy and security of our nation. Adding value, rather than disposing of the waste of agriculture, can solve an environmental problem and reduce our dependence on foreign sources of fossil fuel for production of chemicals, materials and fuels.

  17. Lithium Diisopropylamide-Mediated Reactions of Imines, Unsaturated Esters, Epoxides, and Aryl Carbamates

    E-Print Network [OSTI]

    Collum, David B.

    and David B. Collum* Contribution from the Department of Chemistry and Chemical Biology, Baker Laboratory. R. In Encyclopedia of Reagents for Organic Synthesis; Paquette, L. A., Ed.; Wiley: New York, 1995

  18. Vinylogous Esters and Amides: Useful Synthons for Diversity-Oriented and Natural Product Synthesis

    E-Print Network [OSTI]

    Leighty, Matthew

    2009-05-04

    step at the end of the sequence and results in moderate to good yields of the isolated chromones. This method was applied toward the synthesis of 5-hydroxy-2-(2-phenylethyl)chromone, a neuroprotective chromone. The reduction of tertiary amides using Cp2...

  19. Electrochemical method for producing a biodiesel mixture comprising fatty acid alkyl esters and glycerol

    DOE Patents [OSTI]

    Lin, YuPo J; St. Martin, Edward J

    2013-08-13

    The present invention relates to an integrated method and system for the simultaneous production of biodiesel from free fatty acids (via esterification) and from triglycerides (via transesterification) within the same reaction chamber. More specifically, one preferred embodiment of the invention relates to a method and system for the production of biodiesel using an electrodeionization stack, wherein an ion exchange resin matrix acts as a heterogeneous catalyst for simultaneous esterification and transesterification reactions between a feedstock and a lower alcohol to produce biodiesel, wherein the feedstock contains significant levels of free fatty acid. In addition, because of the use of a heterogeneous catalyst, the glycerol and biodiesel have much lower salt concentrations than raw biodiesel produced by conventional transesterification processes. The present invention makes it much easier to purify glycerol and biodiesel.

  20. Cultured human astrocytes secrete large cholesteryl ester- andtriglyceride-rich lipoproteins along with endothelial lipase

    SciTech Connect (OSTI)

    Yang, Lin; Liu, Yanzhu; Forte, Trudy M.; Chisholm, Jeffrey W.; Parks, John S.; Shachter, Neil S.

    2003-12-01

    We cultured normal human astrocytes and characterized their secreted lipoproteins. Human astrocytes secreted lipoproteins in the size range of plasma VLDL (Peak 1), LDL (Peak 2), HDL (Peak 3) and a smaller peak (Peak 4), as determined by gel filtration chromatography, nondenaturing gradient gel electrophoresis and transmission electron microscopy. Cholesterol enrichment of astrocytes led to a particular increase in Peak 1. Almost all Peak 2, 3 and 4 cholesterol and most Peak 1 cholesterol was esterified (unlike mouse astrocyte lipoproteins, which exhibited similar peaks but where cholesterol was predominantly non-esterified). Triglycerides were present at about 2/3 the level of cholesterol. LCAT was detected along with two of its activators, apolipoprotein (apo) A-IV and apoC-I. ApoA-I and apoA-II mRNA and protein were absent. ApoJ was present equally in all peaks but apoE was present predominantly in peaks 3 and 4. ApoB was not detected. The electron microscopic appearance of Peak 1 lipoproteins suggested partial lipolysis leading to the detection of a heparin-releasable triglyceride lipase consistent with endothelial lipase. The increased neuronal delivery of lipids from large lipoprotein particles, for which apoE4 has greater affinity than does apoE3, may be a mechanism whereby the apoE {var_epsilon}4 allele contributes to neurodegenerative risk.

  1. The comparative reactivity of some esters of benzoic acid with aniline

    E-Print Network [OSTI]

    Smith, Howard V.

    1921-01-01

    added careful ly, the f lask being kept cold meanwhile. The benzoic acid was added to the cold solut ion, and the f lask then heat≠ ed on a water bath under a reflux condenser for two hours The mixture boiled gently and became very dark in col≠ or... added careful ly, the f lask being kept cold meanwhile. The benzoic acid was added to the cold solut ion, and the f lask then heat≠ ed on a water bath under a reflux condenser for two hours The mixture boiled gently and became very dark in col≠ or...

  2. Membrane-permeant Esters of Phosphatidylinositol 3,4,5-Trisphosphate*

    E-Print Network [OSTI]

    Tsien, Roger Y.

    and Howard Hughes Medical Institute, University of California San Diego, La Jolla, California 92093, University of California San Diego, La Jolla, California 92093 Phosphoinositide 3-OH kinases for stim- ulation of hexose transport. In T84 epithelial monolay- ers, di-C12-PIP3/AM mimicked epidermal

  3. AN INTERLABORATORY COMPARISON STUDY FOR THE DETERMINATION OF DIALKYL PHTHALATE ESTERS IN ENVIRONMENTAL AND BIOLOGICAL SAMPLES

    E-Print Network [OSTI]

    Gobas, Frank

    laboratory determined DPE residue concentrations in 20 municipal sewage sludge samples, previously analyzed as part of the 2006/2007 U.S. Environmental Protection Agency's Targeted National Sewage Sludge Survey, DEHP concentration measurements in sewage sludge samples showed good agreement with those reported

  4. Phosphine-catalyzed asymmetric additions of malonate esters to gamma-substituted allenoates and allenamides

    E-Print Network [OSTI]

    Sinisi, Riccardo

    Because carbonyl groups are ubiquitous in organic chemistry, the ability to synthesize functionalized carbonyl compounds, particularly enantioselectively, is an important objective. We have developed a straightforward and ...

  5. Rotatory Power of optically active Benzoic Esters containing Ionisable ortho-substituents.†

    E-Print Network [OSTI]

    Hill, John M.

    1931-01-01

    Among the many and varied fields of present day chemistry, that of optical activity occupies a not unimportant position. The rotatory powers of the alkali and ammonium salts of d-sec-?octyl hydrogen phthalate have been ...

  6. ESTER, Enel integrated System for TEsts on stoRage (Smart Grid Project) |

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar2-0057-EA Jump to:of the NationalDynetek EuropeEPG Fuel Cell LLcESPESPE

  7. Rheinische Bio Ester GmbH Co KG | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX ECoop Inc Jump to:Newberg,EnergyEast Jump to: navigation,ReportVelho Energ

  8. Preparation of Propylene Glycol Fatty Acid Ester or Other Glycol, or Polyol

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass mapSpeedingProgram Guidelines This document w1.ĀĹtankSurfaceSciTechenergyand*

  9. 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.

  10. Is space-time symmetry a suitable generalization of parity-time symmetry?

    SciTech Connect (OSTI)

    Amore, Paolo; FernŠndez, Francisco M.; Garcia, Javier

    2014-11-15

    We discuss space-time symmetric Hamiltonian operators of the form H=H{sub 0}+igH{sup ?}, where H{sub 0} is Hermitian and g real. H{sub 0} is invariant under the unitary operations of a point group G while H{sup ?} is invariant under transformation by elements of a subgroup G{sup ?} of G. If G exhibits irreducible representations of dimension greater than unity, then it is possible that H has complex eigenvalues for sufficiently small nonzero values of g. In the particular case that H is parity-time symmetric then it appears to exhibit real eigenvalues for all 00. We illustrate the main theoretical results and conclusions of this paper by means of two- and three-dimensional Hamiltonians exhibiting a variety of different point-group symmetries. - Highlights: ē Space-time symmetry is a generalization of PT symmetry. ē The eigenvalues of a space-time Hamiltonian are either real or appear as pairs of complex conjugate numbers. ē In some cases all the eigenvalues are real for some values of a potential-strength parameter g. ē At some value of g space-time symmetry is broken and complex eigenvalues appear. ē Some multidimensional oscillators exhibit broken space-time symmetry for all values of g.

  11. 1 INTRODUCTION Suitable sites for wind farms on land are scarce in

    E-Print Network [OSTI]

    Heinemann, Detlev

    viability of offshore wind farms depends on the compensation of the additional installation cost by a higher. In the current planing phase offshore wind measure- ments are being made at three prospective wind farm sites offshore wind farm which is lo- cated about 2 km from the coast. Thus the measure- ments cover

  12. Effects of Regulated River Flows on Habitat Suitability for the Robust Redhorse

    E-Print Network [OSTI]

    Kwak, Thomas J.

    , with wild populations occurring in three drainages from North Carolina to Georgia. Hydroelectric dams have Robust Redhorse habitat was recently prescribed for Blewett Falls Dam, a hydroelectric facility frag- mentation as a result of hydroelectric dams (Warren et al. 1997, 2000; Ricciardi and Rasmussen

  13. Power System Planning: Emerging Practices Suitable for Evaluating the Impact of High-Penetration Photovoltaics

    SciTech Connect (OSTI)

    Bebic, J.

    2008-02-01

    This report explores the impact of high-penetration renewable generation on electric power system planning methodologies and outlines how these methodologies are evolving to enable effective integration of variable-output renewable generation sources.

  14. Identifying beef muscles and processing treatments suitable for use in fajita application†

    E-Print Network [OSTI]

    Huerta Sanchez, Diana Lorena

    2009-06-02

    Beef fajitas have become a popular food item, but the supply of traditional muscles is insufficient to meet the growing demand. There is a need for alternative muscles that have similar eating characteristics to those currently marketed as beef...

  15. CITE Suitability : an exploration of product evaluation methodologies for developing world technologies

    E-Print Network [OSTI]

    Pombrol, Christopher Anthony

    2014-01-01

    There are a multitude of technological products that have been developed to improve the lives of bottom of pyramid consumers in the developing world. Unfortunately, many of these products fail to have the desired impact ...

  16. Biomass waste gasification - Can be the two stage process suitable for tar reduction and power generation?

    SciTech Connect (OSTI)

    Sulc, Jindrich; Stojdl, Jiri; Richter, Miroslav; Popelka, Jan [Faculty of the Environment, Jan Evangelista Purkyne University in Usti nad Labem, Kralova Vysina 7, 400 96 Usti nad Labem (Czech Republic); Svoboda, Karel, E-mail: svoboda@icpf.cas.cz [Faculty of the Environment, Jan Evangelista Purkyne University in Usti nad Labem, Kralova Vysina 7, 400 96 Usti nad Labem (Czech Republic); Institute of Chemical Process Fundamentals of the ASCR, v.v.i., Rozvojova 135, 165 02 Prague 6 (Czech Republic); Smetana, Jiri; Vacek, Jiri [D.S.K. Ltd., Ujezdecek - Dukla 264, 415 01 Teplice I (Czech Republic); Skoblja, Siarhei; Buryan, Petr [Dept. of Gas, Coke and Air protection, Institute of Chemical Technol., Technicka 5, 166 28 Prague 6 (Czech Republic)

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer Comparison of one stage (co-current) and two stage gasification of wood pellets. Black-Right-Pointing-Pointer Original arrangement with grate-less reactor and upward moving bed of the pellets. Black-Right-Pointing-Pointer Two stage gasification leads to drastic reduction of tar content in gas. Black-Right-Pointing-Pointer One stage gasification produces gas with higher LHV at lower overall ER. Black-Right-Pointing-Pointer Content of ammonia in gas is lower in two stage moving bed gasification. - Abstract: A pilot scale gasification unit with novel co-current, updraft arrangement in the first stage and counter-current downdraft in the second stage was developed and exploited for studying effects of two stage gasification in comparison with one stage gasification of biomass (wood pellets) on fuel gas composition and attainable gas purity. Significant producer gas parameters (gas composition, heating value, content of tar compounds, content of inorganic gas impurities) were compared for the two stage and the one stage method of the gasification arrangement with only the upward moving bed (co-current updraft). The main novel features of the gasifier conception include grate-less reactor, upward moving bed of biomass particles (e.g. pellets) by means of a screw elevator with changeable rotational speed and gradual expanding diameter of the cylindrical reactor in the part above the upper end of the screw. The gasifier concept and arrangement are considered convenient for thermal power range 100-350 kW{sub th}. The second stage of the gasifier served mainly for tar compounds destruction/reforming by increased temperature (around 950 Degree-Sign C) and for gasification reaction of the fuel gas with char. The second stage used additional combustion of the fuel gas by preheated secondary air for attaining higher temperature and faster gasification of the remaining char from the first stage. The measurements of gas composition and tar compound contents confirmed superiority of the two stage gasification system, drastic decrease of aromatic compounds with two and higher number of benzene rings by 1-2 orders. On the other hand the two stage gasification (with overall ER = 0.71) led to substantial reduction of gas heating value (LHV = 3.15 MJ/Nm{sup 3}), elevation of gas volume and increase of nitrogen content in fuel gas. The increased temperature (>950 Degree-Sign C) at the entrance to the char bed caused also substantial decrease of ammonia content in fuel gas. The char with higher content of ash leaving the second stage presented only few mass% of the inlet biomass stream.

  17. On the Suitability of Framed Slotted Aloha based RFID Anti-collision Protocols for Use in

    E-Print Network [OSTI]

    Chin, Kwan-Wu

    RFID tags that are fastened on household objects, thereby allowing the system to record when tags can be active, passive

  18. Supplementary material for "Coherent Josephson qubit suitable for scalable quantum integrated circuits"

    E-Print Network [OSTI]

    Martinis, John M.

    J. Mutus,1 C. Neill,1 P. O'Malley,1 P. Roushan,1 J. Wenner,1 T. C. White,1 A. N. Cleland,1 and John. The right inset is a cross section at Z = 0 (squares) and Z = Zamp (circles), as indicated by the arrows population is plotted in Fig. S2 as a function of time and amplitude. A cross section of the main figure at Z

  19. Small Fast Spectrum Reactor Designs Suitable for Direct Nuclear Thermal Propulsion

    SciTech Connect (OSTI)

    Bruce G. Schnitzler; Stanley K. Borowski

    2012-07-01

    Advancement of U.S. scientific, security, and economic interests through a robust space exploration program requires high performance propulsion systems to support a variety of robotic and crewed missions beyond low Earth orbit. Past studies, in particular those in support of both the Strategic Defense Initiative (SDI) and Space Exploration Initiative (SEI), have shown nuclear thermal propulsion systems provide superior performance for high mass high propulsive delta-V missions. The recent NASA Design Reference Architecture (DRA) 5.0 Study re-examined mission, payload, and transportation system requirements for a human Mars landing mission in the post-2030 timeframe. Nuclear thermal propulsion was again identified as the preferred in-space transportation system. A common nuclear thermal propulsion stage with three 25,000-lbf thrust engines was used for all primary mission maneuvers. Moderately lower thrust engines may also have important roles. In particular, lower thrust engine designs demonstrating the critical technologies that are directly extensible to other thrust levels are attractive from a ground testing perspective. An extensive nuclear thermal rocket technology development effort was conducted from 1955-1973 under the Rover/NERVA Program. Both graphite and refractory metal alloy fuel types were pursued. Reactors and engines employing graphite based fuels were designed, built and ground tested. A number of fast spectrum reactor and engine designs employing refractory metal alloy fuel types were proposed and designed, but none were built. The Small Nuclear Rocket Engine (SNRE) was the last engine design studied by the Los Alamos National Laboratory during the program. At the time, this engine was a state-of-the-art graphite based fuel design incorporating lessons learned from the very successful technology development program. The SNRE was a nominal 16,000-lbf thrust engine originally intended for unmanned applications with relatively short engine operations and the engine and stage design were constrained to fit within the payload volume of the then planned space shuttle. The SNRE core design utilized hexagonal fuel elements and hexagonal structural support elements. The total number of elements can be varied to achieve engine designs of higher or lower thrust levels. Some variation in the ratio of fuel elements to structural elements is also possible. Options for SNRE-based engine designs in the 25,000-lbf thrust range were described in a recent (2010) Joint Propulsion Conference paper. The reported designs met or exceeded the performance characteristics baselined in the DRA 5.0 Study. Lower thrust SNRE-based designs were also described in a recent (2011) Joint Propulsion Conference paper. Recent activities have included parallel evaluation and design efforts on fast spectrum engines employing refractory metal alloy fuels. These efforts include evaluation of both heritage designs from the Argonne National Laboratory (ANL) and General Electric Company GE-710 Programs as well as more recent designs. Results are presented for a number of not-yet optimized fast spectrum engine options.

  20. Project Profile: Deep Eutectic Salt Formulations Suitable as Advanced Heat Transfer Fluids

    Broader source: Energy.gov [DOE]

    Halotechnics, under the Thermal Storage FOA, is conducting high-throughput, combinatorial research and development of salt formulations for use as highly efficient heat transfer fluids (HTFs).

  1. Suitability of Red Hake, Urophycis chuss, and Silver Hake, Merluccius bilinearis, for Processing Into Surimi

    E-Print Network [OSTI]

    which is widely used to make analog seafood products resembling crab meat, scallops, shrimp, etc substrate TMAO, and the addition of sucrose and sorbitol, which retards freeze denaturation of proteins

  2. Solar Energy to Drive Absorption Cooling Systems Suitable for Small Building Applications†

    E-Print Network [OSTI]

    Gomri, R.

    2010-01-01

    Air conditioning systems have a major impact on energy demand. With fossil fuels fast depleting, it is imperative to look for cooling systems that require less high-grade energy for their operation. In this context, ...

  3. Is XTP Suitable for Distributed RealTime Systems? 1 W. Timothy Strayer

    E-Print Network [OSTI]

    Strayer, William Timothy

    University of Virginia Charlottesville, Virginia wts4x@virginia.edu acw@virginia.edu Abstract XTP is already

  4. Cell density signal protein suitable for treatment of connective tissue injuries and defects

    DOE Patents [OSTI]

    Schwarz, Richard I. (Oakland, CA)

    2002-08-13

    Identification, isolation and partial sequencing of a cell density protein produced by fibroblastic cells. The cell density signal protein comprising a 14 amino acid peptide or a fragment, variant, mutant or analog thereof, the deduced cDNA sequence from the 14 amino acid peptide, a recombinant protein, protein and peptide-specific antibodies, and the use of the peptide and peptide-specific antibodies as therapeutic agents for regulation of cell differentiation and proliferation. A method for treatment and repair of connective tissue and tendon injuries, collagen deficiency, and connective tissue defects.

  5. An Empirical Chart Analysis of the Suitability of Telemedicine for Hospice Visits

    E-Print Network [OSTI]

    Doolittle, Gary C.; Whitten, Pamela; Mccartney, Michael; Cook, David J.; Nazir, Niaman

    2005-03-22

    Telehospiceģ (TH) utilizes telemedicine technology to provide care at the end of life. A bistate project was launched in 1998 to study the use of home-based telemedicine for routine hospice care. Videophones were deployed for telenursing visits...

  6. Compositions of corrosion-resistant Fe-based amorphous metals suitable for producing thermal spray coatings

    DOE Patents [OSTI]

    Farmer, Joseph C; Wong, Frank M.G.; Haslam, Jeffery J; Ji, Xiaoyan; Day, Sumner D; Blue, Craig A; Rivard, John D.K.; Aprigliano, Louis F; Kohler, Leslie K; Bayles, Robert; Lemieux, Edward J; Yang, Nancy; Perepezko, John H; Kaufman, Larry; Heuer, Arthur; Lavernia, Enrique J

    2013-09-03

    A method of coating a surface comprising providing a source of amorphous metal that contains manganese (1 to 3 atomic %), yttrium (0.1 to 10 atomic %), and silicon (0.3 to 3.1 atomic %) in the range of composition given in parentheses; and that contains the following elements in the specified range of composition given in parentheses: chromium (15 to 20 atomic %), molybdenum (2 to 15 atomic %), tungsten (1 to 3 atomic %), boron (5 to 16 atomic %), carbon (3 to 16 atomic %), and the balance iron; and applying said amorphous metal to the surface by a spray.

  7. Compositions of corrosion-resistant Fe-based amorphous metals suitable for producing thermal spray coatings

    DOE Patents [OSTI]

    Farmer, Joseph C.; Wong, Frank M. G.; Haslam, Jeffery J.; Ji, Xiaoyan (Jane); Day, Sumner D.; Blue, Craig A.; Rivard, John D. K.; Aprigliano, Louis F.; Kohler, Leslie K.; Bayles, Robert; Lemieux, Edward J.; Yang, Nancy; Perepezko, John H.; Kaufman, Larry; Heuer, Arthur; Lavernia, Enrique J.

    2013-07-09

    A method of coating a surface comprising providing a source of amorphous metal that contains manganese (1 to 3 atomic %), yttrium (0.1 to 10 atomic %), and silicon (0.3 to 3.1 atomic %) in the range of composition given in parentheses; and that contains the following elements in the specified range of composition given in parentheses: chromium (15 to 20 atomic %), molybdenum (2 to 15 atomic %), tungsten (1 to 3 atomic %), boron (5 to 16 atomic %), carbon (3 to 16 atomic %), and the balance iron; and applying said amorphous metal to the surface by a spray.

  8. New AC-DC Power Factor Correction Architecture Suitable for High Frequency Operation

    E-Print Network [OSTI]

    Lim, Seungbum

    This paper presents a novel ac-dc power factor correction (PFC) power conversion architecture for single-phase grid interface. The proposed architecture has significant advantages for achieving high efficiency, good power ...

  9. Soil suitability index identifies potential areas for groundwater banking on agricultural lands

    E-Print Network [OSTI]

    2015-01-01

    capture Ė Addressing flood risks and ground- water overdraftre- ducing downstream flood risks (Bachand et al. 2011). The

  10. Assessment of Rooftop Area in Austin Energy's Service Territory Suitable for PV Development

    Office of Energy Efficiency and Renewable Energy (EERE)

    As part of the Solar America Cities program, Austin Energy proposed to perform an assessment of the rooftop area available for PV development within its service area. Austin Energy contracted with Clean Energy Associates (CEA) to perform the analysis. This report summarizes the project objectives, data sources and methodological approach employed, and results.

  11. GENERAL TECHNICAL REPORT PSW-GTR-245 Land Suitability for Establishing Rainwater

    E-Print Network [OSTI]

    and Tlalmanalco) located in the eastern part of the state of Mexico, Mexico. Five variables were used for site selection: wind speed, distance to roads, runoff, evaporation and wildfire density. Each variable was graded fighting. Introduction Mexico, like other countries, has been impacted by the increasing occurrence

  12. The Hardness of Cottonseed Cake as Related to its Suitability for Feeding.†

    E-Print Network [OSTI]

    Fraps, G. S. (George Stronach); Marrs, C. D. (Cecil Douglas)

    1936-01-01

    and specialists alike. R. J. W. Evans and Alexander Marr, eds. Curiosity and Wonder from the Renaissance to the Enlightenment. Aldershot: Ashgate, 2006. Xvi + 265pp. $99.95. Review by darin hayton, haverford college. Robert Evans and Alexander Marr, the editors..., consider curiosity and wonder particularly fruitful lenses through which to investigate linkages between objects, texts, individuals, voyages of discovery and medical practices. In his lucid introduction, Marr surveys the scholar- ship on curiosity...

  13. Soil suitability index identifies potential areas for groundwater banking on agricultural lands

    E-Print Network [OSTI]

    2015-01-01

    Ward FA, Pulido-Velazquez M. 2008. Water conservation inirrigation can increase water use. P Natl Acad Sci USA 105:10.1073/pnas.0805554105. Water Association of Kern County.

  14. Achieving clean epitaxial graphene surfaces suitable for device applications by improved lithographic process

    SciTech Connect (OSTI)

    Nath, A., E-mail: anath@gmu.edu; Rao, M. V. [George Mason University, 4400 University Dr., Fairfax, Virginia 22030 (United States); Koehler, A. D.; Jernigan, G. G.; Wheeler, V. D.; Hite, J. K.; HernŠndez, S. C.; Robinson, Z. R.; Myers-Ward, R. L.; Eddy, C. R.; Gaskill, D. K. [U.S. Naval Research Laboratory, 4555 Overlook Ave. SW, Washington, D.C. 20375 (United States); Garces, N. Y. [Sotera Defense Solutions, 2200 Defense Hwy. Suite 405, Crofton, Maryland 21114 (United States)

    2014-06-02

    It is well-known that the performance of graphene electronic devices is often limited by extrinsic scattering related to resist residue from transfer, lithography, and other processes. Here, we report a polymer-assisted fabrication procedure that produces a clean graphene surface following device fabrication by a standard lithography process. The effectiveness of this improved lithography process is demonstrated by examining the temperature dependence of epitaxial graphene-metal contact resistance using the transfer length method for Ti/Au (10?nm/50?nm) metallization. The Landauer-Buttiker model was used to explain carrier transport at the graphene-metal interface as a function of temperature. At room temperature, a contact resistance of 140 ?-?m was obtained after a thermal anneal at 523?K for 2?hr under vacuum, which is comparable to state-of-the-art values.

  15. On the suitability of applications for GMPLS Malathi Veeraraghavan, Xiuduan Fang, Xuan Zheng

    E-Print Network [OSTI]

    Huang, Wei

    /MPLS interface card Circuit/VC gateway Circuit/VC gateway Controlcard Controlcard SONET/ WDM/ MPLS switch Fig. 1 on to SONET/SDH circuits, WDM lightpaths or MPLS tunnels. Such mapping is performed at nodes we call "circuit-based gateways." As an example of such a gateway, consider Sycamore's SN16000 switch. It can be configured to map

  16. DESIGN OF A MICROFABRICATED, TWO-ELECTRODE PHASE-CONTRAST ELEMENT SUITABLE FOR ELECTRON MICROSCOPY

    E-Print Network [OSTI]

    Cambie, Rossana; Downing, Kenneth H.; Typke, Dieter; Glaeser, Robert M.; Jin, Jian

    2006-01-01

    and a 2 Ķm thick buried-oxide layer located below the devicewafer and then deposit an oxide layer that serves as a maskmask was etched into the oxide layer, which serves as a ď

  17. Soil suitability index identifies potential areas for groundwater banking on agricultural lands

    E-Print Network [OSTI]

    2015-01-01

    R. 1981. Range claypan soil improvement: response fromdoi:10.2134/ agronj2001.932281x Soil Survey Division Staff.1993. Soil survey manual. Soil Conservation Service. US

  18. Time Room Title Speaker Suitable for 08:00 AM Atrium Registration

    E-Print Network [OSTI]

    Priestley, Hilary

    and Welcome 09:20 AM MECH-G31 Tony Hey 10:20 AM Atrium Refreshments A: Seminars and Workshops 11:00 AM MECH

  19. Antipatharian Diversity and Habitat Suitability Mapping in the Mesophotic Zone of the Northwestern Gulf of Mexico†

    E-Print Network [OSTI]

    Nuttall, Marissa F

    2013-04-03

    Little is known about the distribution of black corals in the northwestern Gulf of Mexico. Of thirty-nine species of black coral documented in the Western Atlantic, thirty have been previously documented by various studies in the Gulf of Mexico...

  20. Digial Technology Qualification Task 2 - Suitability of Digital Alternatives to Analog Sensors and Actuators

    SciTech Connect (OSTI)

    Ted Quinn; Jerry Mauck

    2012-09-01

    The next generation reactors in the U.S. are an opportunity for vendors to build new reactor technology with advanced Instrumentation and Control Systems (control rooms, DCS, etc.). The advances made in the development of many current generation operating reactors in other parts of the world are being used in the design and construction of new plants. These new plants are expected to have fully integrated digital control rooms, computerized procedures, integrated surveillance testing with on-line monitoring and a major effort toward improving the O&M and fault survivability of the overall systems. In addition the designs are also incorporating major improvements in the man-machine interface based on lessons learned in nuclear and other industries. The above relates primarily to the scope of supply in instrumentation and control systems addressed by Chapter 7 of the Standard Review Plan (SRP) NUREG-0800 (Reference 9.5), and the associated Balance of Plant (BOP) I&C systems. This does not relate directly to the actuator and motor, breaker, initiation circuitry, valve position, etc. which is the subject of this report and normally outside of the traditional Distributed Control System (DCS), for both safety and non-safety systems. The recommendations presented in this report will be used as input to I&C research programming for the implementation of lessons learned during the early phases of new build both for large light water reactors (LWR) and also small modular reactors (SMR). This report is intended to support current research plans and provide user (vendor, owner-operator) input to the optimization of these research plans.

  1. Long-Term Trends in Summertime Habitat Suitability for Delta Smelt, Hypomesus transpacificus

    E-Print Network [OSTI]

    Nobriga, Matthew L.; Sommer, Ted R.; Feyrer, Frederick; Fleming, Kevin

    2008-01-01

    in 1986 (Kimmerer 2002a; Sommer et al. 2007); however, mostNobriga, Matthew L. ; Ted R. Sommer; Frederick Feyrer; KevinFeyrer F, Nobriga, ML, Sommer, TR. 2007. Multi- decadal

  2. Soil suitability index identifies potential areas for groundwater banking on agricultural lands

    E-Print Network [OSTI]

    2015-01-01

    Saal, Helen Dahlke, David Doll, Rachel Elkins, Allan Fulton,basins for groundwater recharge. David Doll http://Josh Viers, UC Merced David Doll estimate assumes 1 foot per

  3. Models to evaluate magnicon architectures and designs suitable for high-perveance beams

    SciTech Connect (OSTI)

    Rees, D.E.

    1994-03-01

    The magnicon, a new high-power, radio frequency (rf) deflection- modulated amplifier, was recently developed at the Institute for Nuclear Physics in Novosibirsk, Russia. The first magnicon achieved a peak output power of 2.6 MW for 50-{mu}s pulses at a frequency of 915 MHz with a dc-to-rf conversion efficiency of 73%. The conversion efficiency achieved by the original magnicon represents a significant improvement over state-of-the-art conventional velocity- and density-modulated devices. Therefore, if properly exploited, the magnicon could substantially reduce the operating expenses of industrial, scientific, and military facilities that require large amounts of rf power. This dissertation describes the operational principles of the magnicon, provides small-signal analytical theory (where practical), presents a large-signal numerical model to characterize magnicon performance, and then utilizes this model to investigate the characteristics of the component magnicon structures. Using these modeling tools, the first-generation magnicon architecture is analyzed for its performance sensitivity to electron-beam size and is found to support beams of only limited diameter. Finally, an alternate magnicon geometry, called a ``uniform-field`` magnicon, is presented and shown to support beams of larger diameter.

  4. Soil suitability index identifies potential areas for groundwater banking on agricultural lands

    E-Print Network [OSTI]

    2015-01-01

    2015. Californiaís Groundwater Update 2013. A Compilation ofpotential areas for groundwater banking on agriculturaland Mike Walkinshaw Groundwater pumping chronically exceeds

  5. A Fuzzy Model to Evaluate the Suitability of Installing an ERP System

    E-Print Network [OSTI]

    Granada, Universidad de

    on the size, future profits and other features of the company. Therefore, different parameters (features of the organizations. Companies have implemented systems such as En- terprise Resource Planning [15,20], Material Abstract The use of Enterprise Resource Planning (ERP) as a foundation for the integration of the complete

  6. Temperature-controlled neutron reflectometry sample cell suitable for study of photoactive thin films

    E-Print Network [OSTI]

    Barrett, Christopher

    Fritzschee Chalk River Laboratories, Building 459, Station 18, Chalk River, Ontario K0J 1J0, Canada Received

  7. A Secure and efficient elliptic curve based authentication and key agreement protocol suitable for WSN

    E-Print Network [OSTI]

    International Association for Cryptologic Research (IACR)

    for WSN Majid Bayat bayat@khu.ac.ir Department of Mathematical Sciences and Computer, University protocols for WSN which in this paper we show that the protocol has some security flaws. Also we introduce an enhanced authentication and key agreement protocol for WSN satisfying all the security requirements

  8. Soil suitability index identifies potential areas for groundwater banking on agricultural lands

    E-Print Network [OSTI]

    2015-01-01

    the Department of Land, Air and Water Resources at UC Davis;the Department of Land, Air and Water Resources at UC Davis;the Department of Land, Air and Water Resources at UC Davis;

  9. Transparent and Conductive Carbon Nanotube Multilayer Thin Films Suitable as an Indium Tin Oxide Replacement†

    E-Print Network [OSTI]

    Park, Yong Tae

    2012-07-16

    of several methods for carbon nanotube film fabrication: (a) vacuum filtration, (b) air-spraying, (c) transfer printing, and (d) rod coating (reproduced from [91], [92], [37], and [42], respectively). .................................... 16 2.8 (a...) Graphene oxide structure. (b) Deposition of graphene oxide sheet by dip coating and an SEM image of deposited graphene oxide pieces (reproduced from [172]). (c) Photo reduction lithography approach for fabrication of patterns on (PDDA/Graphene Oxide...

  10. Exploring the Suitability of Existing Tools for Constructing Executable Java Slices

    E-Print Network [OSTI]

    Iyer, Divya

    2012-05-31

    Java is a managed programming language, and Java programs are executed in a virtual machine (VM) environment. Java VMs not only execute the primary application program, but also perform several other auxiliary tasks at runtime. Some...

  11. High Frequency Characteristicsof NanocompositeThin Film "Supercapacitors" and their Suitability For EmbeddedDecoupling

    E-Print Network [OSTI]

    Swaminathan, Madhavan

    the world over the past decade. Currently popular ceramic-polymer composites can only provide limited on the top of the dielectrics. Though the nanostructured carbon black epoxy composites showed high dielectric to be only up to 1OX that of the base polymer matrix. The measured dielectric constant at GHz frequencies

  12. Determining suitable monetization approaches for mobile phone applications within the smart phones industry

    E-Print Network [OSTI]

    Chai, Chengran

    2013-01-01

    Smart Phone Ecosystems revolve around developers, applications and users. One of Nokia's own platforms, the S40, targets the low end of the smart phone market. Nokia's Content & Ecosystem Sourcing group is constantly looking ...

  13. Process for producing an aggregate suitable for inclusion into a radiation shielding product

    DOE Patents [OSTI]

    Lessing, Paul A. (Idaho Falls, ID); Kong, Peter C. (Idaho Falls, ID)

    2000-01-01

    The present invention is directed to methods for converting depleted uranium hexafluoride to a stable depleted uranium silicide in a one-step reaction. Uranium silicide provides a stable aggregate material that can be added to concrete to increase the density of the concrete and, consequently, shield gamma radiation. As used herein, the term "uranium silicide" is defined as a compound generically having the formula U.sub.x Si.sub.y, wherein the x represents the molecules of uranium and the y represent the molecules of silicon. In accordance with the present invention, uranium hexafluoride is converted to a uranium silicide by contacting the uranium hexafluoride with a silicon-containing material at a temperature in a range between about 1450.degree. C. and about 1750.degree. C. The stable depleted uranium silicide is included as an aggregate in a radiation shielding product, such as a concrete product.

  14. Efficient graphite ring heater suitable for diamond-anvil cells to 1300 K

    SciTech Connect (OSTI)

    Du Zhixue; Amulele, George; Lee, Kanani K. M.; Miyagi, Lowell

    2013-02-15

    In order to generate homogeneous high temperatures at high pressures, a ring-shaped graphite heater has been developed to resistively heat diamond-anvil cell (DAC) samples up to 1300 K. By putting the heater in direct contact with the diamond anvils, this graphite heater design features the following advantages: (1) efficient heating: sample can be heated to 1300 K while the DAC body temperature remains less than 800 K, eliminating the requirement of a special alloy for the DAC; (2) compact design: the sample can be analyzed with in situ measurements, e.g., x-ray, optical, and electrical probes are possible. In particular, the side access of the heater allows for radial x-ray diffraction (XRD) measurements in addition to traditional axial XRD.

  15. A model of suboxic sedimentary diagenesis suitable for automatic tuning and gridded global domains

    E-Print Network [OSTI]

    Scherer, Norbert F.

    tuned to minimize the misfit to observations from 53 sedimentary locations throughout the ocean at predicting organic carbon concentration, depth of NO3 ņ penetration, and pore water Fe2+ , and less so for Mn ocean, with sediment area as a function of overlying oxygen concentration and average depth related

  16. Selecting the suitable dopants: electronic structures of transition metal and rare earth doped thermoelectric sodium cobaltate

    E-Print Network [OSTI]

    Assadi, M H N; Yu, A B

    2012-01-01

    Engineered Na0.75CoO2 is considered a prime candidate to achieve high efficiency thermoelectric systems to regenerate electricity from waste heat. In this work, three elements with outmost electronic configurations, (1) an open d shell (Ni), (2) a closed d shell (Zn), and (3) an half fill f shell (Eu) with a maximum unpaired electrons, were selected to outline the dopants' effects on electronic and crystallographic structures of Na0.75CoO2. Systematic ab initio density functional calculations showed that the formation energy of these dopants was found to be lowest when residing on sodium layer and ranked as -1.1 eV, 0.44 eV and 3.44 eV for Eu, Ni and Zn respectively. Furthermore Ni was also found to be stable when substituting Co ion. As these results show great harmony with existing experimental data, they provide new insights into the fundamental principle of dopant selection for manipulating the physical properties in the development of high performance sodium cobaltate based thermoelectric materials.

  17. Assessment of Managed Aquifer Recharge Site Suitability Using a GIS and Modeling

    E-Print Network [OSTI]

    Fisher, Andrew

    scenarios. For the region evaluated in this study, the Pajaro Valley Groundwater Basin, California, GIS), and infiltration basins. Injection wells and ASR may offer advantages such as a limited land require- ments creation and maintenance of conveyance and pumping systems (Bouwer 2002). In contrast, surface infiltration

  18. Is a Swine Model of Arteriovenous Malformation Suitable for Human Extracranial Arteriovenous Malformation? A Preliminary Study

    SciTech Connect (OSTI)

    Lv, Ming-ming, E-mail: lvmingming001@163.com [Ninth People's Hospital, Shanghai Jiao Tong University School of Medicine, Department of Oral and Maxillofacial Surgery, Shanghai Key Laboratory of Stomatology (China)] [Ninth People's Hospital, Shanghai Jiao Tong University School of Medicine, Department of Oral and Maxillofacial Surgery, Shanghai Key Laboratory of Stomatology (China); Fan, Xin-dong, E-mail: fanxindong@yahoo.com.cn [Ninth People's Hospital, Shanghai Jiao Tong University School of Medicine, Department of Radiology (China)] [Ninth People's Hospital, Shanghai Jiao Tong University School of Medicine, Department of Radiology (China); Su, Li-xin, E-mail: sulixin1975@126.com [Ninth People's Hospital, Shanghai Jiao Tong University School of Medicine, Department of Oral and Maxillofacial Surgery, Shanghai Key Laboratory of Stomatology (China)] [Ninth People's Hospital, Shanghai Jiao Tong University School of Medicine, Department of Oral and Maxillofacial Surgery, Shanghai Key Laboratory of Stomatology (China)

    2013-10-15

    Objective: A chronic arteriovenous malformation (AVM) model using the swine retia mirabilia (RMB) was developed and compared with the human extracranial AVM (EAVM) both in hemodynamics and pathology, to see if this brain AVM model can be used as an EAVM model. Methods: We created an arteriovenous fistula between the common carotid artery and the external jugular vein in eight animals by using end-to-end anastomosis. All animals were sacrificed 1 month after surgery, and the bilateral retia were obtained at autopsy and performed hematoxylin and eosin staining and immunohistochemistry. Pre- and postsurgical hemodynamic evaluations also were conducted. Then, the blood flow and histological changes of the animal model were compared with human EAVM. Results: The angiography after operation showed that the blood flow, like human EAVM, flowed from the feeding artery, via the nidus, drained to the draining vein. Microscopic examination showed dilated lumina and disrupted internal elastic lamina in both RMB of model and nidus of human EAVM, but the thickness of vessel wall had significant difference. Immunohistochemical reactivity for smooth muscle actin, angiopoietin 1, and angiopoietin 2 were similar in chronic model nidus microvessels and human EAVM, whereas vascular endothelial growth factor was significant difference between human EAVM and RMB of model. Conclusions: The AVM model described here is similar to human EAVM in hemodynamics and immunohistochemical features, but there are still some differences in anatomy and pathogenetic mechanism. Further study is needed to evaluate the applicability and efficacy of this model.

  19. Measuring the value of workspace architectural design : construction of the Workspace Communication Suitability Index (WOCSIT)

    E-Print Network [OSTI]

    Tsakonas, Konstantinos Georgios

    2008-01-01

    The aim of this dissertation is to measure the impact of workspace architectural design on the value it generates for tenant organizations in terms of, without loss of generality, strengthening organizational identity and ...

  20. The Relationship Between Use and Suitability of Resources and Its Consequences to Insect Population Size

    E-Print Network [OSTI]

    Soberó n, Jorge

    1986-03-01

    insects. There are also cases of herbivores gaining benefits from the associated fauna of the food plants, as in many myrmecophilous associa- tions (Hinton 1951; Atsatt 1981). It is also possible that the physical position of a host plant within...:117-127. . 1977. Coevolution of pierid butterflies and their cruciferous food plants. II. The distribution of eggs on potential food plants. Evolution 31:568-579. Clark, L. R., P. W. Geier, R. D. Hughes, and R. F. Morris. 1967. The ecology of insect populations...