National Library of Energy BETA

Sample records for mono alkyl ester

  1. 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.

  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. 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

  4. Anhydrous aluminum chloride as an alkylation catalyst: identification of mono- and dialkyl-benzenes from the condensation of tertiary butyl alcohol with benzene. 

    E-Print Network [OSTI]

    Scoggins, Lacey E

    1959-01-01

    - alkyl and polyalkyl derivatives. The percentage yield, of monoalkyl derivatives is dependent upon the alcohol, dehydrating agent and. the activation of the aromatic nuclei Anhydrous ferric and alusdnum chloride, hydrogen fluoride with phosphorous...-butyl alcohol with 'benzene in the presence of i'erric chloride and. a 5g yield using aluminum chloride under the same conditions. Simons and. Archer5 reacted t-butyl alcohol with 'benzene using hydrogen fluoride as an alkylation catalyst, obtaining 4Q...

  5. 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.

  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. 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...

  8. 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.

  9. 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.

  10. Mild Catalytic methods for Alkyl-Alkyl Bond Formation

    SciTech Connect (OSTI)

    Vicic, David A

    2009-08-10

    Overview of Research Goals and Accomplishments for the Period 07/01/06 – 06/30/07: Our overall research goal is to transform the rapidly emerging synthetic chemistry involving alkyl-alkyl cross-couplings into more of a mechanism-based field so that that new, rationally-designed catalysts can be performed under energy efficient conditions. Our specific objectives for the previous year were 1) to obtain a proper electronic description of an active catalyst for alkyl-alkyl cross-coupling reactions and 2) to determine the effect of ligand structure on the rate, scope, selectivity, and functional group compatibility of C(sp3)-C(sp3) cross-coupling catalysis. We have completed both of these initial objectives and established a firm base for further studies. The specific significant achievements of the current grant period include: 1) we have performed magnetic and computational studies on (terpyridine)NiMe, an active catalyst for alkyl-alkyl cross couplings, and have discovered that the unpaired electron resides heavily on the terpyridine ligand and that the proper electronic description of this nickel complex is a Ni(II)-methyl cation bound to a reduced terpyridine ligand; 2) we have for the first time shown that alkyl halide reduction by terpyridyl nickel catalysts is substantially ligand based; 3) we have shown by isotopic labeling studies that the active catalyst (terpyridine)NiMe is not produced via a mechanism that involves the formation of methyl radicals when (TMEDA)NiMe2 is used as the catalyst precursor; 4) we have performed an extensive ligand survey for the alkyl-alkyl cross-coupling reactions and have found that electronic factors only moderately influence reactivity in the terpyridine-based catalysis and that the most dramatic effects arise from steric and solubility factors; 5) we have found that the use of bis(dialkylphosphino)methanes as ligands for nickel does not produce active catalysts for cross-coupling but rather leads to bridging hydride complexes of varying geometries; 6) we have determined that the geometry of aforementioned bridging hydride complexes is largely determined by external forces such as hydrogen bonding interactions and crystal packing forces; 7) we have found that the rate of reductive elimination of alkane from a (pyridyl-2-pyrrolide)AuMe2 complex is severely inhibited due to the rigid geometry of the pyridyl-2-pyrrolide ligand; 8) we have prepared, structurally characterized, and explored the reactivity of 1-adamantylzinc reagents as model nucleophiles for sterically challenging alkyl-alkyl cross-coupling reactions. The continued success of this work will lead to alkyl-alkyl cross-coupling catalysts with broad scope and selectivities. The work has potential to significantly impact science and technologies of interest to the DOE as the chemistry is focused on developing useful reactions using reagents that can be directly prepared from petroleum and natural gas feedstocks. Moreover, the developing synthetic chemistry can profoundly affect the way materials, fine chemicals, and drugs are made. Since the methodology we are developing can shorten existing synthetic protocols, proceed at room temperature, and operate under environmentally benign conditions, it can greatly reduce energy expenditures, especially considering the contribution of the chemical manufacturing field to the gross domestic product.

  11. Electrophilic Metal Alkyl Chemistry in New Ligand Environments...

    Office of Scientific and Technical Information (OSTI)

    Electrophilic Metal Alkyl Chemistry in New Ligand Environments Citation Details In-Document Search Title: Electrophilic Metal Alkyl Chemistry in New Ligand Environments The goals...

  12. Alkylate

    Gasoline and Diesel Fuel Update (EIA)

    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 GasAdjustments (Billion Cubic Feet) Wyoming Dry NaturalPrices1 Table 1.10 CoolingNotesShale natural gasU.S.Day)

  13. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, L.A. Jr.; Arganbright, R.P.; Hearn, D.

    1994-06-14

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a molecular sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  14. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, L.A. Jr.; Arganbright, R.P.; Hearn, D.

    1993-09-07

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a molecular sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene to about the mid point of the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 figures.

  15. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A. (Bellaire, TX); Arganbright, Robert P. (Seabrook, TX); Hearn, Dennis (Houston, TX)

    1994-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  16. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    1989-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  17. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  18. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A. (Bellaire, TX); Arganbright, Robert P. (Seabrook, TX); Hearn, Dennis (Houston, TX)

    1993-01-01

    Aromatic compounds are alkylated in a combination reactor/distillation column comprising a vessel suitable for operating between 70.degree. C. and 500.degree. C. and from 0.5 to 20 atmospheres pressure; an inert distillation packing in the lower one-third of said vessel; solid acidic catalytic material such as zeolites or an acidic cation exchange resin supported in the middle one-third of said vessel; and inert distillation packing in the upper one-third of said vessel. A benzene inlet is located near the upper end of the vessel; an olefin inlet is juxtaposed with said solid acidic catalytic material; a bottoms outlet is positioned near the bottom of said vessel for removing said cumene and ethyl benzene; and an overhead outlet is placed at the top of said vessel for removing any unreacted benzene and olefin.

  19. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A. (Bellaire, TX); Arganbright, Robert P. (Seabrook, TX); Hearn, Dennis (Houston, TX)

    1993-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene to about the mid point of the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  20. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, L.A. Jr.; Arganbright, R.P.; Hearn, D.

    1993-01-05

    Aromatic compounds are alkylated in a combination reactor/distillation column comprising a vessel suitable for operating between 70 C and 500 C and from 0.5 to 20 atmospheres pressure; an inert distillation packing in the lower one-third of said vessel; solid acidic catalytic material such as zeolites or an acidic cation exchange resin supported in the middle one-third of said vessel; and inert distillation packing in the upper one-third of said vessel. A benzene inlet is located near the upper end of the vessel; an olefin inlet is juxtaposed with said solid acidic catalytic material; a bottoms outlet is positioned near the bottom of said vessel for removing said cumene and ethyl benzene; and an overhead outlet is placed at the top of said vessel for removing any unreacted benzene and olefin.

  1. The Cooling of a Mono-Crystalline Bar

    E-Print Network [OSTI]

    Eindhoven, Technische Universiteit

    The Cooling of a Mono-Crystalline Bar Miguel Patr´icio Robert M.M. Mattheij J.H.M. ten Thije 15 6 The Cooling of a Mono-Crystalline Bar 18 6.1 Introduction of a Mono-Crystalline Bar. We aim to obtain the numerical solution of this problem. Our approach

  2. 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.

  3. Enhancement of alkylation catalysts for improved supercritical fluid regeneration

    DOE Patents [OSTI]

    Ginosar, Daniel M. (Idaho Falls, ID); Petkovic, Lucia M. (Idaho Falls, ID)

    2010-12-28

    A method of modifying an alkylation catalyst to reduce the formation of condensed hydrocarbon species thereon. The method comprises providing an alkylation catalyst comprising a plurality of active sites. The plurality of active sites on the alkylation catalyst may include a plurality of weakly acidic active sites, intermediate acidity active sites, and strongly acidic active sites. A base is adsorbed to a portion of the plurality of active sites, such as the strongly acidic active sites, selectively poisoning the strongly acidic active sites. A method of modifying the alkylation catalyst by providing an alkylation catalyst comprising a pore size distribution that sterically constrains formation of the condensed hydrocarbon species on the alkylation catalyst or by synthesizing the alkylation catalyst to comprise a decreased number of strongly acidic active sites is also disclosed, as is a method of improving a regeneration efficiency of the alkylation catalyst.

  4. Enhancement of alkylation catalysts for improved supercritical fluid regeneration

    DOE Patents [OSTI]

    Ginosar, Daniel M. (Idaho Falls, ID); Petkovic, Lucia (Idaho Falls, ID)

    2009-09-22

    A method of modifying an alkylation catalyst to reduce the formation of condensed hydrocarbon species thereon. The method comprises providing an alkylation catalyst comprising a plurality of active sites. The plurality of active sites on the alkylation catalyst may include a plurality of weakly acidic active sites, intermediate acidity active sites, and strongly acidic active sites. A base is adsorbed to a portion of the plurality of active sites, such as the strongly acidic active sites, selectively poisoning the strongly acidic active sites. A method of modifying the alkylation catalyst by providing an alkylation catalyst comprising a pore size distribution that sterically constrains formation of the condensed hydrocarbon species on the alkylation catalyst or by synthesizing the alkylation catalyst to comprise a decreased number of strongly acidic active sites is also disclosed, as is a method of improving a regeneration efficiency of the alkylation catalyst.

  5. Coaxial Mono-Energetic Gamma Generator for Active Interrogation

    E-Print Network [OSTI]

    Ludewigt, Bernhard A.

    2010-01-01

    Mono-Energetic Gamma Generator for Active Interrogation B.A.4. Coaxial gamma generator installed in the teststand. Thethe design of a gamma generator comparatively small and

  6. Poly(ethyleneoxide) functionalization through alkylation

    DOE Patents [OSTI]

    Sivanandan, Kulandaivelu; Eitouni, Hany Basam; Li, Yan; Pratt, Russell Clayton

    2015-04-21

    A new and efficient method of functionalizing high molecular weight polymers through alkylation using a metal amide base is described. This novel procedure can also be used to synthesize polymer-based macro-initiators containing radical initiating groups at the chain-ends for synthesis of block copolymers.

  7. 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.

  8. 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.

  9. 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.

  10. New mono-organotin (IV) dithiocarbamate complexes

    SciTech Connect (OSTI)

    Muthalib, Amirah Faizah Abdul; Baba, Ibrahim [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi (Malaysia)

    2014-09-03

    Eighteen new mono-organotin dithiocarbamate compounds derived each nine from methyltin(IV) and phenyltin(IV) reacted using in-situ method with various type of N-dialkylamine together with carbon disulphide with the ratio of 1:3:3. Elemental and gravimetric analysis showed that the general formula of these compounds were RSnCl[S{sub 2}CNR?R?]{sub 2} (R= Ph, CH{sub 3}, R? = CH{sub 3}, C{sub 2}H{sub 5}, C{sub 7}H{sub 7} and R? = C{sub 2}H{sub 5}, C{sub 6}H{sub 11}, iC{sub 3}H{sub 7}, C{sub 7}H{sub 7}). These compounds had been characterized by infrared spectroscopy, ultraviolet spectroscopy, {sup 1}H, {sup 13}C NMR spectroscopy and single crystal X-ray crystallography. The infrared spectra of these compounds showed three important peaks indicating the formation of dithiocarbamate compounds, ?(CN), ?(CS) and ?(Sn-S) band which present in the region of 1444–1519, 954–1098 and 318–349 cm{sup ?1} respectively. The ultraviolet-visible spectra showed an absorption band for the ? - ?* transition of NCS group in the range of 253 – 259 nm due to the intramolecular charge transfer of the ligand. The {sup 13}C NMR spectra showed an important shift for ?(N{sup 13}CS{sub 2}) in the range of 196.8 – 201.9 ppm.. Single crystal X-ray diffraction studies showed three new structures with the general formula of PhSnCl[S{sub 2}CN(Et)(i?Pr)]{sub 2}, MeSnCl[S{sub 2}CN(Me)(Cy)]{sub 2} and MeSnCl[S{sub 2}CN(i?Pr)(CH{sub 2}Ph)]{sub 2}. All structures having a distorted octahedral geometry set by CClS{sub 4} donor atom from the two chelating dithiocarbamate ligands.

  11. Pairing preferences of the model mono-valence mono-atomic ions investigated by molecular simulation

    SciTech Connect (OSTI)

    Zhang, Qiang [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning (China) [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning (China); Department of Chemistry, Bohai University, Jinzhou 121000 (China); Zhang, Ruiting; Zhao, Ying; Li, HuanHuan; Zhuang, Wei, E-mail: wzhuang@dicp.ac.cn, E-mail: gaoyq@pku.edu.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning (China)] [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning (China); Gao, Yi Qin, E-mail: wzhuang@dicp.ac.cn, E-mail: gaoyq@pku.edu.cn [College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871 (China)

    2014-05-14

    We carried out a series of potential of mean force calculations to study the pairing preferences of a series of model mono-atomic 1:1 ions with evenly varied sizes. The probabilities of forming the contact ion pair (CIP) and the single water separate ion pair (SIP) were presented in the two-dimensional plots with respect to the ion sizes. The pairing preferences reflected in these plots largely agree with the empirical rule of matching ion sizes in the small and big size regions. In the region that the ion sizes are close to the size of the water molecule; however, a significant deviation from this conventional rule is observed. Our further analysis indicated that this deviation originates from the competition between CIP and the water bridging SIP state. The competition is mainly an enthalpy modulated phenomenon in which the existing of the water bridging plays a significant role.

  12. Looking through the Pseudo-Scalar Portal into Dark Matter: Novel Mono-Higgs and Mono-$Z$ Signatures at LHC

    E-Print Network [OSTI]

    Jose Miguel No

    2015-09-03

    Mono-$X$ signatures are a powerful collider probe of the nature of dark matter. We show that mono-Higgs and mono-$Z$ may be key signatures of pseudo-scalar portal interactions between dark matter and the SM. We demonstrate this using a simple renormalizable version of the portal, with a Two-Higgs-Doublet-Model as electroweak symmetry breaking sector. Mono-$Z$ and mono-Higgs signatures in this scenario are of resonant type, which constitutes a novel type of dark matter signature at LHC.

  13. Cross-coupling reactions of unactivated alkyl halides

    E-Print Network [OSTI]

    Zhou, Jianrong (Jianrong Steve)

    2005-01-01

    My graduate research at MIT has been focused on the development of palladium- or nickel-catalyzed cross-coupling reactions using unactivated alkyl electrophiles (e.g., halides and sulfonates). Although aryl and alkenyl ...

  14. Batch polymerization of styrene initiated by alkyl lithiums 

    E-Print Network [OSTI]

    Desai, Rashmi R

    1970-01-01

    BATCH POLYYIERIZATION OF STYRENE INITIATED BY ALKYL LITHIUMS A Thesis by RASHMI R. DESAI Submitted to the Graduate College of Texas ASM University partial fulfillment of the requirement for the degree of MASTER OF SCIFNCE May 1970 Major... Subject: Chemical Fngineering BATCH POLYMERI2ATION OF STYRENE INITIATED BY ALKYL LITHIUMS A Thesis by RASHMI R. DESAI Approved as to style and content by: / . I ?ii' (Chairman of Committee) (Head of Depar tment) ( ember) (Member) May 1970 111...

  15. Final Technical Report [Development of Catalytic Alkylation and Fluoroalkylation Methods

    SciTech Connect (OSTI)

    Vicic, David A.

    2014-05-01

    In the early stages of this DOE-funded research project, we sought to prepare and study a well-defined nickel-alkyl complex containing tridentate nitrogen donor ligands. We found that reaction of (TMEDA)NiMe2 (1) with terpyridine ligand cleanly led to the formation of (terpyridyl)NiMe (2), which we also determined to be an active alkylation catalyst. The thermal stability of 2 was unlike that seen for any of the active pybox ligands, and enabled a number of key studies on alkyl transfer reactions to be performed, providing new insights into the mechanism of nickel-mediated alkyl-alkyl cross-coupling reactions. In addition to the mechanistic studies, we showed that the terpyridyl nickel compounds can catalytically cross-couple alkyl iodides in yields up to 98% and bromides in yields up to 46 %. The yields for the bromides can be increased up to 67 % when the new palladium catalyst [(tpy’)Pd-Ph]I is used. The best route to the targeted [(tpy)NiBr] (1) was found to involve the comproportionation reaction of [(dme)NiBr{sub 2}] and [Ni(COD){sub 2}] in the presence of two equivalents of terpyridine. This reaction was driven to high yields of product formation (72 % isolated) by the precipitation of 1 from THF solvent.

  16. WHAT'S GRAPHENE? Mono or few layers of sp2 bonded

    E-Print Network [OSTI]

    Mellor-Crummey, John

    WHAT'S GRAPHENE? · Mono or few layers of sp2 bonded carbon atoms in a honeycomb lattice 105cm2/Vs at RT. 1 Due to its unique transport properties, graphene is suitable for implementation sampling (EOS) timeresolved spectroscopy to optically pump and THz probe exfoliated graphene ribbons (GR

  17. The Unique Ecosystem of Mono Lake Aidan Geissler

    E-Print Network [OSTI]

    Polly, David

    the life in Mono Lake. And as this lake is vital to the migration and life of millions of birds with an abundance of food (Hill). Thus the lake has come to play a critical role in regional bird migration, Idaho, Utah, Arizona, New Mexico, Texas, and Mexico (Introduction to the Basin and Range). FIGURE 1: Map

  18. 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

  19. Topical AC-11 abates actinic keratoses and early squamous cell cancers in hairless mice exposed to Ultraviolet A (UVA) radiation

    E-Print Network [OSTI]

    Mentor, Julian M; Etemadi, Amir; Patta, Abrienne M; Scheinfeld, Noah

    2015-01-01

    8% carboxy alkyl esters (CAEs) as their active ingredients.8% carboxy alkyl esters (CAEs) as their active ingredients [

  20. 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

  1. 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.

  2. A Continuous Homologation of Esters: An Efficient Telescoped Reduction–Olefination 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 Horner–Wadsworth–Emmons ...

  3. 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.

  4. 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.

  5. DYNAMIC SIMULATION OF MONO-TUBE CAVITY RECEIVERS FOR DIRECT STEAM GENERATION

    E-Print Network [OSTI]

    for intended deployment in large arrays of dishes, with steam directed to a central large steam turbine powerDYNAMIC SIMULATION OF MONO-TUBE CAVITY RECEIVERS FOR DIRECT STEAM GENERATION José Zapata 1 , John dish has been in operation since 2010 with a mono-tube steam cavity receiver, the SG4 system

  6. ESTIMATION OF OUTLET MASS FLOW FOR A MONO-TUBE CAVITY RECEIVER FOR DIRECT STEAM GENERATION

    E-Print Network [OSTI]

    arrays of parabolic dishes, where each collector contributes steam to a central steam-turbine power blockESTIMATION OF OUTLET MASS FLOW FOR A MONO-TUBE CAVITY RECEIVER FOR DIRECT STEAM GENERATION José This paper presents recent developments on a dynamic model for a mono-tube cavity receiver for direct steam

  7. Turning Tangent Empirical Mode Decomposition: a framework for mono-and multivariate signals

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    processing with a very important topic of research and development in various fields such as biomedical1 Turning Tangent Empirical Mode Decomposition: a framework for mono- and multivariate signals-EMD, for both mono- and multivariate signals is proposed in this paper. It differs from the other approaches

  8. 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.

  9. ADSORPTION/DESORPTION STUDIES ON SOLID ACID ALKYLATION CATALYSTS USING A TAPERED ELEMENT OSCILLATING MICROBALANCE (TEOM)

    E-Print Network [OSTI]

    Gong, Kening

    2008-10-23

    2-1. Key Operating Parameters of the Reactors for Each Process 20 Table 2-2. Comparison of Material Balance, Raw Material Costs, and Product Sales Revenues for Sulfuric Acid Alkylation Process and Solid Acid/CO2 Alkylation Process 31 Table 2... effluent refrigeration alkylation process. 17 Figure 2-2. Proposed solid acid/CO2 alkylation process. 19 Figure 2-3. Sensitivity analysis of installed reactor cost, total capital investment, and utility and chemical costs to OSV (golefin/gcatalysth). 38...

  10. Versatile assembly of p-carboxylatocalix[4]arene-O-alkyl ethers

    E-Print Network [OSTI]

    Kennedy, Stuart

    2011-01-01

    Chem. , 2007, 72, 1675; j) S. Kennedy, S. J. Dalgarno, Chem.0-alkyl ethers Stuart Kennedy," Simon J. Teat* and Scott J.

  11. Methods of producing alkylated hydrocarbons from an in situ heat treatment process liquid

    DOE Patents [OSTI]

    Roes, Augustinus Wilhelmus Maria (Houston, TX); Mo, Weijian (Sugar Land, TX); Muylle, Michel Serge Marie (Houston, TX); Mandema, Remco Hugo (Houston, TX); Nair, Vijay (Katy, TX)

    2009-09-01

    A method for producing alkylated hydrocarbons is disclosed. Formation fluid is produced from a subsurface in situ heat treatment process. The formation fluid is separated to produce a liquid stream and a first gas stream. The first gas stream includes olefins. The liquid stream is fractionated to produce at least a second gas stream including hydrocarbons having a carbon number of at least 3. The first gas stream and the second gas stream are introduced into an alkylation unit to produce alkylated hydrocarbons. At least a portion of the olefins in the first gas stream enhance alkylation.

  12. 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.

  13. Assembly of carbon nanotubes and alkylated fullerenes: nanocarbon hybrid towards photovoltaic applications

    E-Print Network [OSTI]

    Nabben, Reinhard

    Assembly of carbon nanotubes and alkylated fullerenes: nanocarbon hybrid towards photovoltaic and a fullerene (C60) derivative with long alkyl chains was constructed as a donor­acceptor pair for photovoltaics as attractive candidates for the development of light- energy harvesting and photovoltaic materials because

  14. Synthesis of mono-to-multi-layer graphene for transparent electrode applications

    E-Print Network [OSTI]

    Choi, Minseok

    2012-01-01

    In this thesis, mono-to-multilayer graphene for transparent electrode applications was synthesized by Atmospheric Pressure Chemical Vapor Deposition (APCVD) and the key factors that determine the electrical and optical ...

  15. Investigation of the electronic structure of mono(1,1?- diamidoferrocene) uranium(IV) complexes

    E-Print Network [OSTI]

    Duhovi?, S; Oria, JV; Odoh, SO; Schreckenbach, G; Batista, ER; Diaconescu, PL

    2013-01-01

    1,1’- Diamidoferrocene) Uranium(IV) Complexes Selma Duhovi?,mono(1,1’- diamidoferrocene) uranium complexes (NN R )UX 2 (as actinides. 17-19 For uranium, we have observed a wide

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

    SciTech Connect (OSTI)

    Hohl, G.H.

    1995-12-31

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

  17. CHAPTER 1 --Expanding Insight into Asymmetric Palladium-Catalyzed Allylic Alkylation 1 Expanding Insight into the Asymmetric Palladium-Catalyzed

    E-Print Network [OSTI]

    Stoltz, Brian M.

    CHAPTER 1 -- Expanding Insight into Asymmetric Palladium-Catalyzed Allylic Alkylation 1 CHAPTER 1 Expanding Insight into the Asymmetric Palladium-Catalyzed Allylic Alkylation of N-Heterocyclic Molecules this motif,1 palladium-catalyzed decarboxylative allylic alkylation2,3 has proven particularly effective and

  18. The relative reactivity of formic esters with aromatic amines

    E-Print Network [OSTI]

    Markley, Max C.

    1922-01-01

    at 100° 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 100° 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...

  19. A Mild, Palladium-Catalyzed Method for the Dehydrohalogenation of Alkyl Bromides: Synthetic and Mechanistic Studies

    E-Print Network [OSTI]

    Bissember, Alex C.

    We have exploited a typically undesired elementary step in cross-coupling reactions, ?-hydride elimination, to accomplish palladium-catalyzed dehydrohalogenations of alkyl bromides to form terminal olefins. We have applied ...

  20. Rapid Conversion of Hindered Arylsulfonates to Alkyl Chlorides with Retention of Configuration

    E-Print Network [OSTI]

    Lepore, Salvatore D.

    Rapid Conversion of Hindered Arylsulfonates to Alkyl Chlorides with Retention of Configuration of highly efficient leaving groups containing chelating units capable of attracting incoming nucleophiles assisting leaving groups (NALGs) that contain a polyether unit (including macrocyclic) attached to the aryl

  1. 1208 Organometallics1988,7,1208-1213 Copper(I) Alkyls. Synthesis and Characterization of Tertiary

    E-Print Network [OSTI]

    Girolami, Gregory S.

    -Champaign, Urbana, Illinois 61801 Received December 28. 1986 Alkylation of copper(I1)acetate reflections and 62 variables. Introduction Lithium dialkylcuprates, LiCuR2,are used extensively in organic

  2. Balancing repair and tolerance of DNA damage caused by alkylating agents

    E-Print Network [OSTI]

    Fu, Dragony

    Alkylating agents constitute a major class of frontline chemotherapeutic drugs that inflict cytotoxic DNA damage as their main mode of action, in addition to collateral mutagenic damage. Numerous cellular pathways, including ...

  3. Intramolecular Heck couplings of unactivated alkyl electrophiles : synthetic and mechanistic studies

    E-Print Network [OSTI]

    Firmansjah, Luke

    2007-01-01

    A method for the palladium-catalyzed intramolecular Heck coupling of unactivated alkyl bromides and chlorides is described. The optimal catalyst system was composed of Pd2(MeO-dba)3 as the metal source and N-heterocyclic ...

  4. 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

  5. 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

  6. 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...

  7. 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

  8. Nickel-catalyzed cross-couplings of unactivated secondary and tertiary alkyl halides and photoinduced copper-mediated asymmetric C-N cross-couplings

    E-Print Network [OSTI]

    Zultanski, Susan L. (Susan Lyn)

    2013-01-01

    Chapter 1 describes the development of two nickel-catalyzed Suzuki cross-coupling methodologies that employ alkyl halides as electrophiles. In Section 1.1, asymmetric [gamma]-alkylation relative to a carbonyl group is ...

  9. High-efficiency graphene nanomesh magnets realized by controlling mono-hydrogenation of pore edges

    SciTech Connect (OSTI)

    Kato, T.; Kamijyo, J.; Kobayashi, T.; Yagi, Y.; Haruyama, J.; Nakamura, T.

    2014-06-23

    We demonstrate a drastic improvement in the efficiency of rare-element-free graphene nanomesh (GNM) magnets with saturation magnetization values as large as ?10{sup ?4?}emu/mm{sup 2}, which are 10–100 times greater than those in previous GNM magnets hydrogenated by only annealing under a hydrogen molecule (H{sub 2}) atmosphere, even at room temperature. This improvement is realized by a significant increase in the area of the mono-H-terminated pore edges by using hydrogen silsesquioxane resist treatment with electron beam irradiation, which can produce mono-H by detaching H-silicon (Si) bonds. This result must open the door for industrial applications of graphene magnets to rare-element-free magnetic and spintronic systems.

  10. Suppression of alkylating agent induced cell transformation and gastric ulceration by low-dose alkylating agent pretreatment

    SciTech Connect (OSTI)

    Onodera, Akira; Department of Pharmaceutical Sciences, Kobegakuin University, 1-1-3 Minatojima, Chuo-ku, Kobe 650-8586 ; Kawai, Yuichi; Kashimura, Asako; Ogita, Fumiya; Tsutsumi, Yasuo; Itoh, Norio

    2013-06-14

    Highlights: •Low-dose MNNG pretreatment suppresses high-dose MNNG induced in vitro transformation. •Gastric ulcers induced by high-dose MNNG decreased after low-dose MNNG pretreatment. •Efficacy of low-dose MNNG related to resistance of mutation and oxidative stress. -- Abstract: Exposure to mild stress by chemicals and radiation causes DNA damage and leads to acquired stress resistance. Although the linear no-threshold (LNT) model of safety assessment assumes risk from any dose, evidence from radiological research demonstrates a conflicting hormetic phenomenon known as the hormesis effect. However, the mechanisms underlying radiation hormesis have not yet been clarified, and little is known about the effects of low doses of chemical carcinogens. We analyzed the efficacy of pretreatment with low doses of the alkylating agent N-methyl-N?-nitro-N-nitrosoguanidine (MNNG) on the subsequent induction of cell transformation and gastric ulceration by high-dose MNNG. We used an in vitro Balb/3T3 A31-1-1 cell transformation test and monitored the formation of gastric ulcers in 5-week-old male ICR mice that were administered MNNG in drinking water. The treatment concentrations of MNNG were determined by the cell survival rate and past reports. For low-dose in vitro and in vivo experiments, MNNG was used at 0.028 ?M, and 2.8 ?g/mL, respectively. The frequency of cell transformation induced by 10 ?m MNNG was decreased by low-dose MNNG pretreatment to levels similar to that of spontaneous transformation. In addition, reactive oxygen species (ROS) and mutation frequencies induced by 10 ?m MNNG were decreased by low-dose MNNG pretreatment. Importantly, low-dose MNNG pretreatment had no effect on cell proliferation. In vivo studies showed that the number of gastric ulcers induced by 1 mg/mL MNNG decreased after low-dose MNNG pretreatment. These data indicate that low-dose pretreatment with carcinogens may play a beneficial role in the prevention of chemical toxicity under specified conditions.

  11. 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

  12. Oligonucleoside alkyl or arylphosphonate derivatives capable of crosslinking with or cleaving nucleic acids

    DOE Patents [OSTI]

    Miller, Paul S. (Baltimore, MD); Ts'o, Paul O.P. (Lutherville, MD)

    1999-06-15

    A composition for inactivating a target nucleic acid which comprises an oligonucleoside alkyl or arylphosphonate analogue which is complementary to the sequence of the target nucleic acid and includes a functional group which reacts with the target nucleic acid to render the target nucleic acid inactive or nonfunctional.

  13. Preparation of alkyl (R)-( )-3-hydroxybutyrate by acidic alcoholysis of poly-(R)-( )-3-hydroxybutyrate

    E-Print Network [OSTI]

    ]; 2) microbial hydroxylation of butyric acid; and 3) microbial or enzymatic reduction of alkyl 3-(R)-( )-3-hydroxybutyrate (PHB) is an energy and carbon storage compound synthesized and intracellular ac- cumulated by numerous bacteria [9,10]. Due to the ste- reospecificity of microbial PHB biosynthetic enzymes

  14. ON-LINE OPTIMIZATION, ENERGY ANALYSIS AND ENVIRONMENTAL IMPACT ASSESSMENT OF SULFURIC ACID CATALYZED ALKYLATION

    E-Print Network [OSTI]

    Pike, Ralph W.

    and energy savings were projected through reduced steam usage in the distillation columns. A small decrease of the most important refinery processes for producing conventional gasoline. Alkylation offers several key advantages to refiners, including the highest average quality of all components available to the gasoline

  15. Oligonucleoside alkyl or arylphosphonate derivatives capable of crosslinking with or cleaving nucleic acids

    DOE Patents [OSTI]

    Miller, P.S.; Ts'o, P.O.P.

    1999-06-15

    A composition for inactivating a target nucleic acid which comprises an oligonucleoside alkyl or arylphosphonate analogue which is complementary to the sequence of the target nucleic acid is provided. It includes a functional group which reacts with the target nucleic acid to render the target nucleic acid inactive or nonfunctional. 16 figs.

  16. 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].

  17. 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

  18. 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

  19. 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.

  20. 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

  1. Nickel/Bis(oxazoline)-Catalyzed Asymmetric Kumada Reactions of Alkyl Electrophiles: Cross-Couplings of Racemic alpha-Bromoketones

    E-Print Network [OSTI]

    Lou, Sha

    The first asymmetric Kumada reactions of alkyl electrophiles are described, specifically, cross-couplings of racemic ?-bromoketones with aryl Grignard reagents. Several features of this investigation are of interest. First, ...

  2. Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the ?-Fluorination of Ketenes: Synthetic and Mechanistic Studies

    E-Print Network [OSTI]

    Lee, Sarah Yunmi

    The catalytic asymmetric synthesis of alkyl fluorides, particularly ?-fluorocarbonyl compounds, has been the focus of substantial effort in recent years. While significant progress has been described in the formation of ...

  3. ON THE PURPORTED FISCHER-TROPSCH ALKYLATION OF BENZENE: THE REACTION OF BENZENE WITH ALUMINUM TRICHLORIDE REVISITED

    E-Print Network [OSTI]

    Benner, Linda S.

    2014-01-01

    of AlC1 3 in boiling benzene. (8) M. Siskin and J. Porcelli,ON THE PURPORTED FISCHER-TROPSCH ALKYLATION OF BENZENE: THEREACTION OF BENZENE WITH ALUMINUM TRICHLORIDE REVISITED

  4. Single event kinetic modeling of solid acid alkylation of isobutane with butenes over proton-exchanged Y-Zeolites 

    E-Print Network [OSTI]

    Martinis Coll, Jorge Maximiliano

    2006-04-12

    Complex reaction kinetics of the solid acid alkylation of isobutane with butenes over a proton-exchanged Y-zeolite has been modeled at the elementary step level. Starting with a computer algorithm that generated the reaction network based...

  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 packing—in the solid-state—to be scrutinized in detail.

  6. Solid catalyzed isoparaffin alkylation at supercritical fluid and near-supercritical fluid conditions

    DOE Patents [OSTI]

    Ginosar, Daniel M. (Idaho Falls, ID); Fox, Robert V. (Idaho Falls, ID); Kong, Peter C. (Idaho Falls, ID)

    2000-01-01

    This invention relates to an improved method for the alkylation reaction of isoparaffins with olefins over solid catalysts including contacting a mixture of an isoparaffin, an olefin and a phase-modifying material with a solid acid catalyst member under alkylation conversion conditions at either supercritical fluid, or near-supercritical fluid conditions, at a temperature and a pressure relative to the critical temperature(T.sub.c) and the critical pressure(P.sub.c) of the reaction mixture. The phase-modifying phase-modifying material is employed to promote the reaction's achievement of either a supercritical fluid state or a near-supercritical state while simultaneously allowing for decreased reaction temperature and longer catalyst life.

  7. Infrared investigations of the alkylation of toluene with methanol by alkali-modified zeolites

    SciTech Connect (OSTI)

    Mielczarski, E.; Davis, M.E. (Dept. of Chemical Engineering, Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (US))

    1991-08-01

    This paper reports on the infrared spectra of zeolite NaX, ion-exchanged CsNaX, and cesium acetate impregnated CsNaY (CsAce/CsNaY) exposed to methanol and toluene at batch and continuous flow conditions over the temperature range 200-420{degrees} C that have been recorded in situ in order to investigate the types of adsorbed species that may exist on these catalysts during side-chain alkylation of toluene with methanol to form styrene. The results from all three materials indicate that methanol and toluene adsorb at different sites within the zeolite. Zeolites with no acidity (CsAce/CsNaY) do not show the presence of formaldehyde. These data and those from the authors' previous catalytic experiments on side-chain alkylation are used to speculate on new catalyst designs necessary for further rate/selectivity enhancements over existing technology.

  8. Mono-hydroxy methoxychlor alters levels of key sex steroids and steroidogenic enzymes in cultured mouse antral follicles

    SciTech Connect (OSTI)

    Craig, Zelieann R., E-mail: zelieann@gmail.co [Department of Comparative Biosciences, University of Illinois, Urbana, IL (United States); Leslie, Traci C., E-mail: traci.leslie@gmail.co [Department of Comparative Biosciences, University of Illinois, Urbana, IL (United States); Hatfield, Kimberly P., E-mail: kpm9786@yahoo.co [Program in Toxicology and Department of Epidemiology and Preventive Medicine, University of Maryland School of Medicine, Baltimore, MD 21201 (United States); Gupta, Rupesh K., E-mail: drrupesh@illinois.ed [Department of Comparative Biosciences, University of Illinois, Urbana, IL (United States); Flaws, Jodi A., E-mail: jflaws@illinois.ed [Department of Comparative Biosciences, University of Illinois, Urbana, IL (United States)

    2010-12-01

    Methoxychlor (MXC) is an organochlorine pesticide that reduces fertility in female rodents by decreasing antral follicle numbers and increasing follicular death. MXC is metabolized in the body to mono-hydroxy MXC (mono-OH). Little is known about the effects of mono-OH on the ovary. Thus, this work tested the hypothesis that mono-OH exposure decreases production of 17{beta}-estradiol (E{sub 2}) by cultured mouse antral follicles. Antral follicles were isolated from CD-1 mice (age 35-39 days) and exposed to dimethylsulfoxide (DMSO), or mono-OH (0.1-10 {mu}g/mL) for 96 h. Media and follicles were collected for analysis of sex steroid levels and mRNA expression, respectively. Mono-OH treatment (10 {mu}g/mL) decreased E{sub 2} (DMSO: 3009.72 {+-} 744.99 ng/mL; mono-OH 0.1 {mu}g/mL: 1679.66 {+-} 461.99 ng/mL; 1 {mu}g/mL: 1752.72 {+-} 532.41 ng/mL; 10 {mu}g/mL: 45.89 {+-} 33.83 ng/mL), testosterone (DMSO: 15.43 {+-} 2.86 ng/mL; mono-OH 0.1 {mu}g/mL: 17.17 {+-} 4.71 ng/mL; 1 {mu}g/mL: 13.64 {+-} 3.53 ng/mL; 10 {mu}g/mL: 1.29 {+-} 0.23 ng/mL), androstenedione (DMSO: 1.92 {+-} 0.34 ng/mL; mono-OH 0.1 {mu}g/mL: 1.49 {+-} 0.43 ng/mL; 1 {mu}g/mL: 0.64 {+-} 0.31 ng/mL; 10 {mu}g/mL: 0.12 {+-} 0.06 ng/mL) and progesterone (DMSO: 24.11 {+-} 4.21 ng/mL; mono-OH 0.1 {mu}g/mL: 26.77 {+-} 4.41 ng/mL; 1 {mu}g/mL: 20.90 {+-} 3.75 ng/mL; 10 {mu}g/mL: 9.44 {+-} 2.97 ng/mL) levels. Mono-OH did not alter expression of Star, Hsd3b1, Hsd17b1 and Cyp1b1, but it did reduce levels of Cyp11a1, Cyp17a1 and Cyp19a1 mRNA. Collectively, these data suggest that mono-OH significantly decreases levels of key sex steroid hormones and the expression of enzymes required for steroidogenesis.

  9. Pseudo-hydroxide extraction in the separation of sodium hydroxide from aqueous solutions using alkyl phenols

    SciTech Connect (OSTI)

    Kang, Hyun Ah; Moyer, Bruce A

    2006-01-01

    Pseudo-hydroxide extraction of sodium hydroxide from aqueous solution using four alkyl phenols of nearly identical molecular weight in 1-octanol at 25 degrees C was examined to understand the effect of alkyl substituents. The order of extraction strength among the four alkyl phenols tested was 4-tert-octylphenol. 3,5-di-tertbutylphenol. 2,4-di-tert-butylphenol. 2,6-di-tert-butyl-4-methylphenol. A good correlation with phenol pK(a) was observed, indicating that extraction strength is determined by phenol acidity, as modified by steric effects in proximity to the phenol - OH group. The effective partition ratios (P-eff) of two phenols from 1 M NaOH solution were determined, showing that the phenols remain predominantly in the 1-octanol phase even when converted to their sodium salts. However, the hydrophobicity of the tested phenols may not be sufficient for process purposes. The equilibrium constants for the governing extraction equilibria were determined by modeling the data using the program SXLSQI, supporting the cation-exchange extraction mechanism. The proposed mechanism consists of two simple sets of equilibria for a. Ion-pair extraction to give Na+OH- ion pairs and corresponding free ions in 1-octanol the phase and b. Cation exchange by monomeric phenol molecules (HAs) to form monomeric organic-phase Na(+)A(-) ion pairs and corresponding free organic-phase ions.

  10. 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.

  11. Pregnenolone co-treatment partially restores steroidogenesis, but does not prevent growth inhibition and increased atresia in mouse ovarian antral follicles treated with mono-hydroxy methoxychlor

    SciTech Connect (OSTI)

    Craig, Zelieann R., E-mail: zelieann@illinois.edu; Hannon, Patrick R., E-mail: phannon2@illinois.edu; Flaws, Jodi A., E-mail: jflaws@illinois.edu

    2013-11-01

    Mono-hydroxy methoxychlor (mono-OH MXC) is a metabolite of the pesticide, methoxychlor (MXC). Although MXC is known to decrease antral follicle numbers, and increase follicle death in rodents, not much is known about the ovarian effects of mono-OH MXC. Previous studies indicate that mono-OH MXC inhibits mouse antral follicle growth, increases follicle death, and inhibits steroidogenesis in vitro. Further, previous studies indicate that CYP11A1 expression and production of progesterone (P{sub 4}) may be the early targets of mono-OH MXC in the steroidogenic pathway. Thus, this study tested whether supplementing pregnenolone, the precursor of progesterone and the substrate for HSD3B, would prevent decreased steroidogenesis, inhibited follicle growth, and increased follicle atresia in mono-OH MXC-treated follicles. Mouse antral follicles were exposed to vehicle (dimethylsulfoxide), mono-OH MXC (10 ?g/mL), pregnenolone (1 ?g/mL), or mono-OH MXC and pregnenolone together for 96 h. Levels of P{sub 4}, androstenedione (A), testosterone (T), estrone (E{sub 1}), and 17?-estradiol (E{sub 2}) in media were determined, and follicles were processed for histological evaluation of atresia. Pregnenolone treatment alone stimulated production of all steroid hormones except E{sub 2}. Mono-OH MXC-treated follicles had decreased sex steroids, but when given pregnenolone, produced levels of P{sub 4}, A, T, and E{sub 1} that were comparable to those in vehicle-treated follicles. Pregnenolone treatment did not prevent growth inhibition and increased atresia in mono-OH MXC-treated follicles. Collectively, these data support the idea that the most upstream effect of mono-OH MXC on steroidogenesis is by reducing the availability of pregnenolone, and that adding pregnenolone may not be sufficient to prevent inhibited follicle growth and survival. - Highlights: • Mono-OH MXC inhibited antral follicle steroidogenesis, growth, and survival. • Pregnenolone partially restored steroidogenesis in mono-OH MXC-treated follicles. • Pregnenolone did not prevent mono-OH MXC-induced inhibition of growth and survival.

  12. 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 ...

  13. 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 ...

  14. Atmos. Chem. Phys., 8, 27732796, 2008 www.atmos-chem-phys.net/8/2773/2008/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    are considered: molecular carbon, alkyl hydroxyl, aromatic hydroxyl, alkyl ether, alkyl ring ether, aromatic ether, aldehyde, ketone, carboxylic acid, ester, nitrate, nitro, alkyl amine (primary, secondary, and tertiary), aromatic amine, amide (primary, secondary, and tertiary), peroxide, hydroperoxide, peroxy acid

  15. On the semimetal-insulator transition and Lifshitz transition in simulations of mono-layer graphene

    E-Print Network [OSTI]

    Dominik Smith; Michael Körner; Lorenz von Smekal

    2014-10-28

    We report on the status of ongoing Hybrid-Monte-Carlo simulations of the tight-binding model of mono-layer graphene. We present results concerning the semimetal-insulator phase transition, whereby two-body interactions are modeled by a partially screened Coulomb potential which takes into account screening by electrons in the lower $\\sigma$-orbitals. We obtain evidence that finite-size effects may still be present in the current estimate of the critical coupling strength $\\alpha_C$, which was previously extracted from simulations on lattice-sizes up to $N_x=N_y=18$. We also present preliminary results concerning the Neck-disrupting Lifshitz transition which occurs at finite Fermion-density in the limit of vanishing two-body interactions. A sign-problem is circumvented by using a spin-dependent chemical potential in our simulations.

  16. Cloning and salt-induced, ABA-independent expression of choline mono-oxygenase in Atriplex prostrata

    E-Print Network [OSTI]

    Showalter, Allan M.

    Cloning and salt-induced, ABA-independent expression of choline mono-oxygenase in Atriplex transcript and glycinebetaine both increased in response to NaCl treatment. Without salt treatment, CMO mRNA was detected in stems and 5-day-old seedlings, but not in leaves, roots and older seedlings. With salt

  17. A Stable Fluorinated and Alkylated Lithium Malonatoborate Salt for Lithium Ion Battery Application

    SciTech Connect (OSTI)

    Wan, Shun; Jiang, Xueguang; Guo, Bingkun; Dai, Sheng; Sun, Xiao-Guang

    2015-01-01

    A new fluorinated and alkylated lithium malonatoborate salt, lithium bis(2-methyl-2-fluoromalonato)borate (LiBMFMB), has been synthesized for lithium ion battery application. A 0.8 M LiBMFMB solution is obtained in a mixture of ethylene carbonate (EC) and ethyl methyl carbonate (EMC) (1:2 by wt.). The new LiBMFMB based electrolyte exhibits good cycling stability and rate capability in LiNi0.5Mn1.5O4 and graphite based half-cells.

  18. Palladium-catalyzed allylic alkylation via decarboxylative and retro-Claisen C-C cleavage methods

    E-Print Network [OSTI]

    Grenning, Alexander James

    2012-05-31

    nitroacetate…………………………………13 1.4 Nitro-group reduction to produce useful amino derivatives……………………………………..15 1.5 References for Chapter 1……………………………………………………………………………..17 Chapter 1 appendix: experimental methods and spectral analysis for Ch. 1 compounds....2.4. Pericyclization/retro-Claisen condensation reactions…………………………………….80 2.2.5. ?-Nitro-ketone alkylation/retro-Claisen condensation……………………………………85 vii 2.2.6. C?X bond formation/retro-Claisen condensation…………………………………………90 2.2.7. Retro-Claisen condensation on non...

  19. Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5 Niels Hansen,*, Till Bruggemann, Alexis T. Bell,*, and Frerich J. Keil

    E-Print Network [OSTI]

    Bell, Alexis T.

    Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5 Niels Hansen,*, Till Bru Benzene alkylation with ethene over zeolite H-ZSM-5 has been investigated using density functional theory with the formation of a stable ethoxide intermediate which subsequently reacts with benzene to form the reaction

  20. High-Octane Fuel from Refinery Exhaust Gas: Upgrading Refinery Off-Gas to High-Octane Alkylate

    SciTech Connect (OSTI)

    2009-12-01

    Broad Funding Opportunity Announcement Project: Exelus is developing a method to convert olefins from oil refinery exhaust gas into alkylate, a clean-burning, high-octane component of gasoline. Traditionally, olefins must be separated from exhaust before they can be converted into another source of useful fuel. Exelus’ process uses catalysts that convert the olefin to alkylate without first separating it from the exhaust. The ability to turn up to 50% of exhaust directly into gasoline blends could result in an additional 46 million gallons of gasoline in the U.S. each year.

  1. In vivo formation and persistence of modified nucleosides resulting from alkylating agents

    SciTech Connect (OSTI)

    Singer, B.

    1985-10-01

    Alkylating agents are ubiquitous in the human environment and are continuously synthesized in vivo. Although many classes exist, interest has been focused on the N-nitroso compounds, since many are mutagens for bacteria, phage, and cells, and carcinogens for mammals. In contrast to aromatic amines and polyaromatic hydrocarbons which can react at carbons, simple alkylating agents react with nitrogens and oxygens: 13 sites are possible, including the internucleotide phosphodiester. However, only the N-nitroso compounds react extensively with oxygens. In vivo, most possible derivatives have been found after administration of methyl and ethyl nitroso compounds. It has been hypothesized that the level and persistence of specific derivatives in a target cell correlates with oncogenesis. However, no single derivative can be solely responsible for this complex process, since correlations cannot be made for even a single carcinogen acting on various species or cell types. Evaluation of human exposure requires early and sensitive methods to detect the initial damage and the extent of repair of each of the many promutagenic adducts.

  2. Comparative Study of Low-temperature PECVD of Amorphous Silicon using Mono-, Di-, Trisilane and Cyclohexasilane

    SciTech Connect (OSTI)

    Konstantin Pokhodnya; Joseph Sandstrom; Xuliang Dai; Philip Boudjouk; Douglas L. Schulz

    2009-06-08

    The hydrogenated amorphous silicon a-Si:H films were grown by plasma-enhanced chemical vapor deposition (PECVD) using liquid cyclohexasilane Si{sub 6}H{sub 12} (CHS). The growth rate of a-Si:H was studied as a function of substrate temperatures in the range of 30 C < T < 450 C using deposition conditions that were optimized for monosilane SiH{sub 4}. The same parameters were used for a-Si:H films grown using disilane (Si{sub 2}H{sub 6}) and trisilane (Si{sub 3}H{sub 8}) precursors. It was found that the a-Si:H film growth rate for CHS is lower with respect to those for mono-, di- and trisilane in an Ar plasma. Addition of {approx}10% of H{sub 2} dramatically increases the deposition rate for CHS-based films to {_}nm/min - a 700% increase. The as-deposited films were characterized by FTIR and Raman spectroscopy to probe the hydrogen content and local bonding environment. It was found that the films grown using Ar/H{sub 2} mixtures as carrier gas have a reduced hydrogen content relative to polysilane fragments indicating higher quality amorphous silicon.

  3. Overview of Mono-Energetic Gamma-Ray Sources and Applications

    SciTech Connect (OSTI)

    Hartemann, Fred; Albert, Felicie; Anderson, Scott; Barty, Christopher; Bayramian, Andy; Chu, Tak Sum; Cross, R.; Ebbers, Chris; Gibson, David; Marsh, Roark; McNabb, Dennis; Messerly, Michael; Shverdin, Miroslav; Siders, Craig; Jongewaard, Erik; Raubenheimer, Tor; Tantawi, Sami; Vlieks, Arnold; Semenov, Vladimir; /UC, Berkeley

    2012-06-25

    Recent progress in accelerator physics and laser technology have enabled the development of a new class of tunable gamma-ray light sources based on Compton scattering between a high-brightness, relativistic electron beam and a high intensity laser pulse produced via chirped-pulse amplification (CPA). A precision, tunable Mono-Energetic Gamma-ray (MEGa-ray) source driven by a compact, high-gradient X-band linac is currently under development and construction at LLNL. High-brightness, relativistic electron bunches produced by an X-band linac designed in collaboration with SLAC NAL will interact with a Joule-class, 10 ps, diode-pumped CPA laser pulse to generate tunable {gamma}-rays in the 0.5-2.5 MeV photon energy range via Compton scattering. This MEGaray source will be used to excite nuclear resonance fluorescence in various isotopes. Applications include homeland security, stockpile science and surveillance, nuclear fuel assay, and waste imaging and assay. The source design, key parameters, and current status are presented, along with important applications, including nuclear resonance fluorescence.

  4. A mono-dimensional nuclear fuel performance analysis code, PUMA, development from a coupled approach

    SciTech Connect (OSTI)

    Cheon, J. S.; Lee, B. O.; Lee, C. B.; Yacout, A. M.

    2013-07-01

    Multidimensional-multi-physical phenomena in nuclear fuels are treated as a set of mono-dimensional-coupled problems which encompass heat, displacement, fuel constituent redistribution, and fission gas release. Rather than uncoupling these coupled equations as in conventional fuel performance analysis codes, efforts are put into to obtain fully coupled solutions by relying on the recent advances of numerical analysis. Through this approach, a new SFR metal fuel performance analysis code, called PUMA (Performance of Uranium Metal fuel rod Analysis code) is under development. Although coupling between temperature and fuel constituent was made easily, the coupling between the mechanical equilibrium equation and a set of stiff kinetics equations for fission gas release is accomplished by introducing one-level Newton scheme through backward differentiation formula. Displacement equations from 1D finite element formulation of the mechanical equilibrium equation are solved simultaneously with stress equation, creep equation, swelling equation, and FGR equations. Calculations was made successfully such that the swelling and the hydrostatic pressure are interrelated each other. (authors)

  5. Searches for Dark Matter at the LHC: A Multivariate Analysis in the Mono-$Z$ Channel

    E-Print Network [OSTI]

    Alexandre Alves; Kuver Sinha

    2015-07-29

    We study dark matter (DM) production in the mono-Z channel at the 13 TeV LHC both in an effective field theory framework as well as in simplified models with vector mediators, using a multivariate analysis. For DM-quark effective operators with scalar, vector, and tensor couplings and DM mass of 100 GeV, the 5$\\sigma$ reach in the DM interaction scale $\\Lambda$ is around 2, 1, and 3 TeV, respectively, for 3 ab$^{-1}$ and assuming a 5\\% systematic uncertainty on the total background normalization. For simplified models with leptophobic vector mediators, the 5$\\sigma$ reach for the mass of the mediator is 1.7 TeV also assuming a 5\\% systematics and 3 ab$^{-1}$ of integrated luminosity. The reach for the dark matter interaction scale obtained with the multivariate analysis using a likelihood function discriminant is at least twice as high as that obtained from a simple cut and count analysis, once systematics on the background normalization larger than a few percent are taken into account. Moreover, the reach is much more stable against degradation due these systematic uncertainties.

  6. Searches for Dark Matter at the LHC: A Multivariate Analysis in the Mono-$Z$ Channel

    E-Print Network [OSTI]

    Alves, Alexandre

    2015-01-01

    We study dark matter (DM) production in the mono-Z channel at the 13 TeV LHC both in an effective field theory framework as well as in simplified models with vector mediators, using a multivariate analysis. For DM-quark effective operators with scalar, vector, and tensor couplings and DM mass of 100 GeV, the 5$\\sigma$ reach in the DM interaction scale $\\Lambda$ is around 2, 1, and 3 TeV, respectively, for 3 ab$^{-1}$ and assuming a 5\\% systematic uncertainty on the total background normalization. For simplified models with leptophobic vector mediators, the 5$\\sigma$ reach for the mass of the mediator is 1.7 TeV also assuming a 5\\% systematics and 3 ab$^{-1}$ of integrated luminosity. The reach for the dark matter interaction scale obtained with the multivariate analysis using a likelihood function discriminant is at least twice as high as that obtained from a simple cut and count analysis, once systematics on the background normalization larger than a few percent are taken into account. Moreover, the reach is...

  7. 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.

  8. 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.

  9. An unusual mono-substituted Keggin anion-chain based 3D framework with 24-membered macrocycles as linker units

    SciTech Connect (OSTI)

    Pang Haijun; Ma Huiyuan; Yu Yan; Yang Ming; Xun Ye; Liu Bo

    2012-02-15

    A new compound, [Cu{sup I}(H{sub 2}O)(Hbpp){sub 2}] Subset-Of {l_brace}[Cu{sup I}(bpp)]{sub 2}[PW{sub 11}Cu{sup II}O{sub 39}]{r_brace} (1) (bpp=1,3-bis(4-pyridyl)propane), has been hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction. In compound 1, the unusual -A-B-A-B- array mono-substituted Keggin anion-chains and 24-membered (Cubpp){sub 2} cation-macrocycles are linked together to form a (2, 4) connected 3D framework with channels of ca. 9.784 Multiplication-Sign 7.771 A{sup 2} along two directions, in which the [Cu(H{sub 2}O)(Hbpp){sub 2}] coordination fragments as guest components are trapped. The photocatalytic experiments of compound 1 were performed, which show a good catalytic activity of compound 1 for photodegradation of RhB. Furthermore, the IR, TGA and electrochemical properties of compound 1 were investigated. - Graphical abstract: An unusual example of mono-substituted Keggin anion-chain based hybrid compound that possesses a 3D structure has been synthesized, which offers a feasible route for synthesis of such compounds. Highlights: Black-Right-Pointing-Pointer The first example of -A-B-A-B- array mono-substituted Keggin chain is observed. Black-Right-Pointing-Pointer An unusual three dimensional structure based mono-substituted Keggin anion-chains. Black-Right-Pointing-Pointer The photocatalysis and electrochemical properties of the title compound were studied.

  10. 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.

  11. 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

  12. 4006 J.Org. Chem. 1986,51, 4006-4016 Palladium-Catalyzed Fropargylic vs. Allylic Alkylation

    E-Print Network [OSTI]

    Keinan, Ehud

    4006 J.Org. Chem. 1986,51, 4006-4016 Palladium-Catalyzed Fropargylic vs. Allylic Alkylation Ehud, in which the two functionalitiesmay interactwith one another. Palladium(0)-catalyzedsubstitution). Certainsimilaritiesbetween regioselectivity phenomena in organopalladium and organocopper chemistry are discussed. Palladium

  13. Surfactant-and Salt-Induced Growth of Normal Sodium Alkyl Sulfate Micelles Well above Their Critical Micelle Concentrations

    E-Print Network [OSTI]

    Bales, Barney

    Surfactant- and Salt-Induced Growth of Normal Sodium Alkyl Sulfate Micelles Well above, dodecyl, and tetradecyl were studied. In all cases, the growth of the aggregates with added salt counterion concentration in the aqueous phase (supplied by the surfactant and the added salt). The constants

  14. Molecular Dynamics Study of a Surfactant-Mediated Decane-Water Interface: Effect of Molecular Architecture of Alkyl Benzene Sulfonate

    E-Print Network [OSTI]

    Goddard III, William A.

    Architecture of Alkyl Benzene Sulfonate Seung Soon Jang, Shiang-Tai Lin, Prabal K. Maiti, Mario Blanco the attachment position of benzene sulfonate on the hexadecane backbone, at the decane-water interface benzene sulfonates, denoted by m-C16, indicating a benzene sulfonate group attached to the mth carbon

  15. J. CHEM. SOC. DALTON TRANS. 1984 2789 12-Bis(dimethy1phosphino)ethane (dmpe) Alkyl Compounds of

    E-Print Network [OSTI]

    Girolami, Gregory S.

    J. CHEM. SOC. DALTON TRANS. 1984 2789 12-Bis(dimethy1phosphino)ethane (dmpe) Alkyl Compounds, London El 4NS The reaction of ZrCl,(dmpe), [dmpe = 1,2-bis(dirnethylphosphino)ethane] with excess MgMe2Me, showed that TiMe.,(dmpe) [dmpe = I ,2-bis(dimethyIphosphino)ethane] was much more thermally stable than

  16. Rate-Dependent Adhesion between Opposed Perfluoropoly(alkyl ether) Layers: Dependence on Chain-End Functionality and Chain Length

    E-Print Network [OSTI]

    Granick, Steve

    Rate-Dependent Adhesion between Opposed Perfluoropoly(alkyl ether) Layers: Dependence on Chain, UniVersity of Illinois, Urbana-Champaign, Urbana, Illinois 61801 ReceiVed: February 27, 1998 Adhesion, with particular attention to the dependence of the adhesion on chain-end functionality and chain length

  17. Alkyl group substitution by oxime-bound palladium(II) (the Shaw reaction): Alkly group selectivity and deuterium isotope effects

    SciTech Connect (OSTI)

    Wells, A.P.; Kitching, W.

    1992-08-01

    This report provides information regarding the selectivity of alkyl groups and the nature of the transition state for C-H palladation by oxime-bound palladium(II) (the Shaw reaction). The kinetic deuterium isotope effects are also presented. 21 refs.

  18. doi:10.1016/j.gca.2004.09.009 Alkylation of polycyclic aromatic hydrocarbons in carbonaceous chondrites

    E-Print Network [OSTI]

    Zare, Richard N.

    doi:10.1016/j.gca.2004.09.009 Alkylation of polycyclic aromatic hydrocarbons in carbonaceous hydrocarbons (PAHs) in the free organic material of 20 carbonaceous chondrites. These meteorites represent, is in a solvent-extractable form containing aromatic and aliphatic hydrocarbons, amino acids, and other compounds

  19. Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the “Hydrophobic Wall” of Carbonic Anhydrase

    SciTech Connect (OSTI)

    J Mecinovic; P Snyder; K Mirica; S Bai; E Mack; R Kwant; D Moustakas; A Heroux; G Whitesides

    2011-12-31

    The hydrophobic effect, the free-energetically favorable association of nonpolar solutes in water, makes a dominant contribution to binding of many systems of ligands and proteins. The objective of this study was to examine the hydrophobic effect in biomolecular recognition using two chemically different but structurally similar hydrophobic groups, aliphatic hydrocarbons and aliphatic fluorocarbons, and to determine whether the hydrophobicity of the two groups could be distinguished by thermodynamic and biostructural analysis. This paper uses isothermal titration calorimetry (ITC) to examine the thermodynamics of binding of benzenesulfonamides substituted in the para position with alkyl and fluoroalkyl chains (H{sub 2}NSO{sub 2}C{sub 6}H{sub 4}-CONHCH{sub 2}(CX{sub 2}){sub n}CX{sub 3}, n = 0-4, X = H, F) to human carbonic anhydrase II (HCA II). Both alkyl and fluoroalkyl substituents contribute favorably to the enthalpy and the entropy of binding; these contributions increase as the length of chain of the hydrophobic substituent increases. Crystallography of the protein-ligand complexes indicates that the benzenesulfonamide groups of all ligands examined bind with similar geometry, that the tail groups associate with the hydrophobic wall of HCA II (which is made up of the side chains of residues Phe131, Val135, Pro202, and Leu204), and that the structure of the protein is indistinguishable for all but one of the complexes (the longest member of the fluoroalkyl series). Analysis of the thermodynamics of binding as a function of structure is compatible with the hypothesis that hydrophobic binding of both alkyl and fluoroalkyl chains to hydrophobic surface of carbonic anhydrase is due primarily to the release of nonoptimally hydrogen-bonded water molecules that hydrate the binding cavity (including the hydrophobic wall) of HCA II and to the release of water molecules that surround the hydrophobic chain of the ligands. This study defines the balance of enthalpic and entropic contributions to the hydrophobic effect in this representative system of protein and ligand: hydrophobic interactions, here, seem to comprise approximately equal contributions from enthalpy (plausibly from strengthening networks of hydrogen bonds among molecules of water) and entropy (from release of water from configurationally restricted positions).

  20. 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 ...

  1. Side-chain alkylation of toluene by methanol over a basic zeolite: A kinetic study

    SciTech Connect (OSTI)

    Beltrame, P.; Fumagalli, P.; Zuretti, G. (Univ. di Milano (Italy))

    1993-01-01

    A few X zeolites, exchanged with K and/or Cs, were tested as catalysts for the reaction of toluene with excess methanol (mole ratio methanol/toluene from 5 to 19) in a fixed bed reactor. Very high selectivity for the side-chain alkylation to ethylbenzene and styrene was observed. A kinetic study of the reaction at 350 C over a CsNaX catalyst was performed: the reaction rate was found to be negatively affected by a high concentration of methanol and by the addition of small amounts of ethylbenzene or styrene to the feed. Some kinetic models, able to represent such inhibition phenomena, were compared on the basis of optimization procedures.

  2. Some new progress on the light absorption properties of linear alkyl benzene solvent

    E-Print Network [OSTI]

    Guang-You Yu; De-Wen Cao; Ai-Zhong Huang; Lei Yu; Chang-Wei Loh; Wen-Wen Wang; Zhi-Qiang Qian; Hai-Bo Yang; Huang Huang; Zong-Qiang Xu; Xue-Yuan Zhu; Bin Xu; Ming Qi

    2015-04-22

    Linear alkyl benzene (LAB) will be used as the solvent of a liquid scintillator mixture for the JUNO antineutrino experiment in the near future. Its light absorption property should therefore be understood prior to its effective use in the experiment. Attenuation length measurements at a light wavelength of 430 nm have been performed on samples of LAB prepared for the purpose of the JUNO experiment. Inorganic impurities in LAB have also been studied for their possibilities of light absorption in our wavelength of interest. In view of a tentative plan by the JUNO collaboration to utilize neutron capture with hydrogen in the detector, we have also presented in this work, a study on the carbon-hydrogen ratio and the relationship thereof with the attenuation length of the samples.

  3. Some new progress on the light absorption properties of linear alkyl benzene solvent

    E-Print Network [OSTI]

    Yu, Guang-You; Huang, Ai-Zhong; Yu, Lei; Loh, Chang-Wei; Wang, Wen-Wen; Qian, Zhi-Qiang; Yang, Hai-Bo; Huang, Huang; Xu, Zong-Qiang; Zhu, Xue-Yuan; Xu, Bin; Qi, Ming

    2015-01-01

    Linear alkyl benzene (LAB) will be used as the solvent of a liquid scintillator mixture for the JUNO antineutrino experiment in the near future. Its light absorption property should therefore be understood prior to its effective use in the experiment. Attenuation length measurements at a light wavelength of 430 nm have been performed on samples of LAB prepared for the purpose of the JUNO experiment. Inorganic impurities in LAB have also been studied for their possibilities of light absorption in our wavelength of interest. In view of a tentative plan by the JUNO collaboration to utilize neutron capture with hydrogen in the detector, we have also presented in this work, a study on the carbon-hydrogen ratio and the relationship thereof with the attenuation length of the samples.

  4. Raman Scattering Sensor for Control of the Acid Alkylation Process in Gasoline Production

    SciTech Connect (OSTI)

    Uibel, Rory, H.; Smith, Lee M.; Benner, Robert, E.

    2006-04-19

    Gasoline refineries utilize a process called acid alkylation to increase the octane rating of blended gasoline, and this is the single most expensive process in the refinery. For process efficiency and safety reasons, the sulfuric acid can only be used while it is in the concentration range of 98 to 86 %. The conventional technique to monitor the acid concentration is time consuming and is typically conducted only a few times per day. This results in running higher acid concentrations than they would like to ensure that the process proceeds uninterrupted. Maintaining an excessively high acid concentration costs the refineries millions of dollars each year. Using SBIR funding, Process Instruments Inc. has developed an inline sensor for real time monitoring of acid concentrations in gasoline refinery alkylation units. Real time data was then collected over time from the instrument and its responses were matched up with the laboratory analysis. A model was then developed to correlate the laboratory acid values to the Raman signal that is transmitted back to the instrument from the process stream. The instrument was then used to demonstrate that it could create real-time predictions of the acid concentrations. The results from this test showed that the instrument could accurately predict the acid concentrations to within ~0.15% acid strength, and this level of prediction proved to be similar or better then the laboratory analysis. By utilizing a sensor for process monitoring the most economic acid concentrations can be maintained. A single smaller refinery (50,000 barrels/day) estimates that they should save over $120,000/year, with larger refineries saving considerably more.

  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. 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

  7. 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.

  8. Resveratrol induces cellular senescence with attenuated mono-ubiquitination of histone H2B in glioma cells

    SciTech Connect (OSTI)

    Gao, Zhen; Xu, Michael S.; Barnett, Tamara L.; Xu, C. Wilson

    2011-04-08

    Research highlights: {yields} Resveratrol induces cellular senescence in glioma cell. {yields} Resveratrol inhibits mono-ubiquitination of histone H2B at K120. {yields} Depletion of RNF20, phenocopies the inhibitory effects of resveratrol. {yields} Mono-ubiquitination of histone H2B at K120 is a novel target of resveratrol. {yields} RNF20 inhibits cellular senescence in proliferating glioma cells. -- Abstract: Resveratrol (3,4',5-trihydroxy-trans-stilbene), a polyphenol naturally occurring in grapes and other plants, has cancer chemo-preventive effects and therapeutic potential. Although resveratrol modulates multiple pathways in tumor cells, how resveratrol or its affected pathways converge on chromatin to mediate its effects is not known. Using glioma cells as a model, we showed here that resveratrol inhibited cell proliferation and induced cellular hypertrophy by transforming spindle-shaped cells to enlarged, irregular and flatten-shaped ones. We further showed that resveratrol-induced hypertrophic cells expressed senescence-associated-{beta}-galactosidase, suggesting that resveratrol-induced cellular senescence in glioma cells. Consistent with these observations, we demonstrated that resveratrol inhibited clonogenic efficiencies in vitro and tumor growth in a xenograft model. Furthermore, we found that acute treatment of resveratrol inhibited mono-ubiquitination of histone H2B at K120 (uH2B) in breast, prostate, pancreatic, lung, brain tumor cells as well as primary human cells. Chronic treatment with low doses of resveratrol also inhibited uH2B in the resveratrol-induced senescent glioma cells. Moreover, we showed that depletion of RNF20, a ubiquitin ligase of histone H2B, inhibited uH2B and induced cellular senescence in glioma cells in vitro, thereby recapitulated the effects of resveratrol. Taken together, our results suggest that uH2B is a novel direct or indirect chromatin target of resveratrol and RNF20 plays an important role in inhibiting cellular senescence programs that are intact in glioma cells.

  9. 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles?O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase)

    SciTech Connect (OSTI)

    Warmus, Joseph S.; Flamme, Cathlin; Zhang, Lu Yan; Barrett, Stephen; Bridges, Alexander; Chen, Huifen; Gowan, Richard; Kaufman, Michael; Sebolt-Leopold, Judy; Leopold, Wilbur; Merriman, Ronald; Ohren, Jeffrey; Pavlovsky, Alexander; Przybranowski, Sally; Tecle, Haile; Valik, Heather; Whitehead, Christopher; Zhang, Erli (Pfizer)

    2009-07-23

    This paper reports a second generation MEK inhibitor. The previously reported potent and efficacious MEK inhibitor, PD-184352 (CI-1040), contains an integral hydroxamate moiety. This compound suffered from less than ideal solubility and metabolic stability. An oxadiazole moiety behaves as a bioisostere for the hydroxamate group, leading to a more metabolically stable and efficacious MEK inhibitor.

  10. Preparation and use of tetra-alkyl cobalt dicarbollide for extraction of cesium and strontium into hydrocarbon solvents

    DOE Patents [OSTI]

    Miller, R.L.; Pinkerton, A.B.; Abney, K.D.; Kinkead, S.A.

    1997-02-11

    Preparation and use of tetra-C-alkyl cobalt dicarbollide for extraction of cesium and strontium into hydrocarbon solvents. Tetra-C-alkyl derivatives of cobalt dicarbollide, Co(C{sub 2}R{sub 2}B{sub 9}H{sub 9}){sub 2}{sup {minus}}(CoB{sub 2}R{sub 4}{sup {minus}}; R=CH{sub 3} and C{sub 6}H{sub 13}) are demonstrated to be significant cesium and strontium extractants from acidic and alkaline solutions into non-toxic organic solvent systems. Extractions using mesitylene and diethylbenzene are compared to those with nitrobenzene as the organic phase. CoB{sub 2}-hexyl{sub 4}{sup {minus}} in diethylbenzene shows improved selectivity (10{sup 4}) for Cs over Na in acidic solution. In dilute alkaline solution, CoB{sub 2}-hexyl{sub 4}{sup {minus}} extracts Cs less efficiently, but more effectively removes Sr from higher base concentrations. A general synthesis of tetra-C-alkyl cobalt dicarbollides is described. 6 figs.

  11. Preparation and use of tetra-alkyl cobalt dicarbollide for extraction of cesium and strontium into hydrocarbon solvents

    DOE Patents [OSTI]

    Miller, Rebecca L. (Los Alamos, NM); Pinkerton, Anthony B. (Santa Fe, NM); Abney, Kent D. (Los Alamos, NM); Kinkead, Scott A. (Los Alamos, NM)

    1997-01-01

    Preparation and use of tetra-C-alkyl cobalt dicarbollide for extraction of cesium and strontium into hydrocarbon solvents. Tetra-C-alkyl derivatives of cobalt dicarbollide, Co(C.sub.2 R.sub.2 B.sub.9 H.sub.9).sub.2.sup.- (CoB.sub.2 R.sub.4.sup.- ; R=CH.sub.3 and C.sub.6 H.sub.13) are demonstrated to be significant cesium and strontium extractants from acidic and alkaline solutions into non-toxic organic solvent systems. Extractions using mesitylene and diethylbenzene are compared to those with nitrobenzene as the organic phase. CoB.sub.2 -hexyl.sub.4.sup.- in diethylbenzene shows improved selectivity (10.sup.4) for Cs over Na in acidic solution. In dilute alkaline solution, CoB.sub.2 -hexyl.sub.4.sup.- extracts Cs less efficiently, but more effectively removes Sr from higher base concentrations. A general synthesis of tetra-C-alkyl cobalt dicarbollides is described.

  12. Synthesis and Photophysical Properties of Soluble Low-Bandgap Thienothiophene Polymers with Various Alkyl Side-Chain Lengths

    SciTech Connect (OSTI)

    Bae, W. J.; Scilla, C.; Duzhko, V. V.; Jo, Jang; Coughlin, E. B.

    2011-08-01

    We report the facile synthesis and characterization of a class of thienothiophene polymers with various lengths of alkyl side chains. A series of 2-alkylthieno[3,4-b]thiophene monomers (Ttx) have been synthesized in a two-step protocol in an overall yield of 28–37%. Poly(2-alkylthieno[3,4-b]thiophenes) (PTtx, alkyl: pentyl, hexyl, heptyl, octyl, and tridecyl) were synthesized by oxidative polymerization with FeCl? or via Grignard metathesis (GRIM) polymerization methods. The polymers are readily soluble in common organic solvents. The polymers synthesized by GRIM polymerization method (PTtx-G) have narrower molecular weight distribution (Ð) with lower molecular weight (Mn) than those synthesized by oxidative polymerization (PTtx-O). The band structures of the polymers with various lengths of alkyl side chains were investigated by UV–vis spectroscopy, cyclic voltammetry, and ultraviolet photoelectron spectroscopy. These low-bandgap polymers are good candidates for organic transistors, organic light-emitting diodes, and organic photovoltaic cells.

  13. Transition metal ion-assisted photochemical generation of alkyl halides and hydrocarbons from carboxylic acids

    SciTech Connect (OSTI)

    Carraher, Jack; Pestovsky, Oleg; Bakac, Andreja

    2012-03-14

    Near-UV photolysis of aqueous solutions of propionic acid and aqueous Fe3+ in the absence of oxygen generates a mixture of hydrocarbons (ethane, ethylene and butane), carbon dioxide, and Fe2+. The reaction becomes mildly catalytic (about five turnovers) in the presence of oxygen which converts a portion of alkyl radicals to oxidizing intermediates that reoxidize Fe2+. The photochemistry in the presence of halide ions (X? = Cl?, Br?) generates ethyl halides via halogen atom abstraction from FeXn3?n by ethyl radicals. Near-quantitative yields of C2H5X are obtained at ?0.05 M X?. Competition experiments with Co(NH3)5Br2+ provided kinetic data for the reaction of ethyl radicals with FeCl2+ (k = (4.0 ± 0.5) × 106 M?1 s?1) and with FeBr2+ (k = (3.0 ± 0.5) × 107 M?1 s?1). Photochemical decarboxylation of propionic acid in the presence of Cu2+ generates ethylene and Cu+. Longer-chain acids also yield alpha olefins as exclusive products. These reactions become catalytic under constant purge with oxygen which plays a dual role. It reoxidizes Cu+ to Cu2+, and removes gaseous olefins to prevent accumulation of Cu+(olefin) complexes and depletion of Cu2+. The results underscore the profound effect that the choice of metal ions, the medium, and reaction conditions exert on the photochemistry of carboxylic acids.

  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. Terrestrial fate of coal-liquid constituents: behavior of alkyl anilines in soil

    SciTech Connect (OSTI)

    Felice, L.J.; Zachara, J.M.; Rogers, J.E.

    1982-07-01

    The low molecular weight aromatic amines (anilines) are important water soluble constituents of coal liquids. The impact of anilines released to the terrestrial environment will largely depend on their mobility and persistence. Studies were conducted to investigate those processes governing the mobility and persistence of the alkylanilines, namely, soil sorption and chemical/microbial degradation. Soil sorption measurements were conducted on aniline and several methyl substituted anilines on A and B horizons of a soil profile collected from Davies County, Kentucky. The magnitude of sorption was large in all horizons. Sorption in the B horizons was larger than in the A horizon for many of the anilines studied, indicating the importance of both the mineral matrix and organic carbon content of the soil in determining the magnitude of sorption. Results of these measurements indicate that movement of the anilines through the soil would be significantly attenuated by sorption reactions. Aniline sorption measurement in the A horizon after removal of the organic matter and in the B/sub 22/ horizon after removal of amorphous iron oxides and crystalline iron oxides indicate that organic matter largely controls aniline sorption in the A horizon, while crystalline iron oxides and phyllosilicates are important in the B horizons. The effects of pH on aniline sorption was also examined and shown to have significant effects on the magnitude of sorption in both A and B horizons. Soil degradation studies using /sup 14/C-3-methylaniline as a model for alkyl aniline degradation show that 3-methylaniline is readily metabolized by soil microorganisms during the 32-day period examined.

  17. Self-cooling mono-container fuel cell generators and power plants using an array of such generators

    DOE Patents [OSTI]

    Gillett, J.E.; Dederer, J.T.; Zafred, P.R.

    1998-05-12

    A mono-container fuel cell generator contains a layer of interior insulation, a layer of exterior insulation and a single housing between the insulation layers, where fuel cells, containing electrodes and electrolyte, are surrounded by the interior insulation in the interior of the generator, and the generator is capable of operating at temperatures over about 650 C, where the combination of interior and exterior insulation layers have the ability to control the temperature in the housing below the degradation temperature of the housing material. The housing can also contain integral cooling ducts, and a plurality of these generators can be positioned next to each other to provide a power block array with interior cooling. 7 figs.

  18. Probing Atomic Structure and Majorana Wavefunctions in Mono-Atomic Fe-chains on Superconducting Pb-Surface

    E-Print Network [OSTI]

    Pawlak, Remy; Klinovaja, Jelena; Meier, Tobias; Kawai, Shigeki; Glatzel, Thilo; Loss, Daniel; Meyer, Ernst

    2015-01-01

    Motivated by the striking promise of quantum computation, Majorana bound states (MBSs) in solid-state systems have attracted wide attention in recent years. In particular, the wavefunction localization of MBSs is a key feature and crucial for their future implementation as qubits. Here, we investigate the spatial and electronic characteristics of topological superconducting chains of iron atoms on the surface of Pb(110) by combining scanning tunneling microscopy (STM) and atomic force microscopy (AFM). We demonstrate that the Fe chains are mono-atomic, structured in a linear fashion, and exhibit zero-bias conductance peaks at their ends which we interprete as signature for a Majorana bound state. Spatially resolved conductance maps of the atomic chains reveal that the MBSs are well localized at the chain ends (below 25 nm), with two localization lengths as predicted by theory. Our observation lends strong support to use MBSs in Fe chains as qubits for quantum computing devices.

  19. A systematic study of the isothermal crystallization of the mono-alcohol n-butanol monitored by dielectric spectroscopy

    E-Print Network [OSTI]

    M. H. Jensen; C. Alba-Simionesco; K. Niss; T. Hecksher

    2015-06-14

    Isothermal crystallization of the mono-hydroxyl alcohol n-butanol was studied with dielectric spectroscopy in real time. The crystallization was carried out using two different sample cells at 15 temperatures between 120 K and 134 K. For all temperatures, a shift in relaxation times to shorter times was observed during the crystallization process, which is characterized by a drop in relaxation strength. The two different sample environments induced quite different crystallization behaviors, consistent and reproducible over all studied temperatures. An explanation for the difference was proposed on the background of an Avrami and a Maxwell-Wagner analysis. Both types analysis suggest that the morphology of the crystal growth changes at a point during the crystallization. The differences between the cells can be explained by this transition taking place at different times for the two cells.

  20. Self-cooling mono-container fuel cell generators and power plants using an array of such generators

    DOE Patents [OSTI]

    Gillett, James E. (Greensburg, PA); Dederer, Jeffrey T. (Valencia, PA); Zafred, Paolo R. (Pittsburgh, PA)

    1998-01-01

    A mono-container fuel cell generator (10) contains a layer of interior insulation (14), a layer of exterior insulation (16) and a single housing (20) between the insulation layers, where fuel cells, containing electrodes and electrolyte, are surrounded by the interior insulation (14) in the interior (12) of the generator, and the generator is capable of operating at temperatures over about 650.degree. C., where the combination of interior and exterior insulation layers have the ability to control the temperature in the housing (20) below the degradation temperature of the housing material. The housing can also contain integral cooling ducts, and a plurality of these generators can be positioned next to each other to provide a power block array with interior cooling.

  1. Dual isotope notch observer for isotope identification, assay and imaging with mono-energetic gamma-ray sources

    DOE Patents [OSTI]

    Barty, Christopher P.J.

    2013-02-05

    A dual isotope notch observer for isotope identification, assay and imaging with mono-energetic gamma-ray sources includes a detector arrangement consists of three detectors downstream from the object under observation. The latter detector, which operates as a beam monitor, is an integrating detector that monitors the total beam power arriving at its surface. The first detector and the middle detector each include an integrating detector surrounding a foil. The foils of these two detectors are made of the same atomic material, but each foil is a different isotope, e.g., the first foil may comprise U235 and second foil may comprise U238. The integrating detectors surrounding these pieces of foil measure the total power scattered from the foil and can be similar in composition to the final beam monitor. Non-resonant photons will, after calibration, scatter equally from both foils.

  2. Spectroscopic studies on two mono nuclear iron (III) complexes derived from a schiff base and an azodye

    SciTech Connect (OSTI)

    Mini, S. Sadasivan, V.; Meena, S. S. Bhatt, Pramod

    2014-10-15

    Two new mono nuclear Fe(III) complexes of an azodye (ANSN) and a Schiff base (FAHP) are reported. The azodye is prepared by coupling diazotized 1-amino-2-naphthol-4-sulphonicacid with 2-naphthol and the Schiff base is prepared by condensing 2-amino-3-hydroxy pyridine with furfural. The complexes were synthesized by the reaction of FeCl{sub 3}М‡2H{sub 2}O with respective ligands. They were characterized on the basis of elemental analysis and spectral studies like IR, NMR, Electronic and M.ssbauer. Magnetic susceptibility and Molar conductance of complexes at room temperature were studied. Based on the spectroscopic evidences and other analytical data the complexes are formulated as[Fe(ANSN)Cl(H{sub 2}O){sub 2}] and [Fe(FAHP)Cl{sub 2}(H{sub 2}O){sub 2}].

  3. and at Thr185 and Tyr187 for human ERK2. The CB1000 separation revealed six protein bands, representing the non-, mono-and dually

    E-Print Network [OSTI]

    Cai, Long

    and at Thr185 and Tyr187 for human ERK2. The CB1000 separation revealed six protein bands, representing the non-, mono- and dually phosphorylated forms of ERK1 and ERK2. Because human ERK1 and ERK2 are distinct but similar proteins, the isoforms of both proteins are recognized by a single, pan-ERK antibody

  4. 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.

  5. Communication: Spectroscopic characterization of an alkyl substituted Criegee intermediate syn-CH{sub 3}CHOO through pure rotational transitions

    SciTech Connect (OSTI)

    Nakajima, Masakazu; Endo, Yasuki

    2014-01-07

    An alkyl-substituted Criegee intermediate syn-CH{sub 3}CHOO was detected in the gas phase through Fourier-transform microwave spectroscopy. Observed pure rotational transitions show a small splitting corresponding to the A/E components due to the threefold methyl internal rotation. The rotational constants and the barrier height of the hindered methyl rotation were determined to be A = 17?586.5295(15) MHz, B = 7133.4799(41) MHz, C = 5229.1704(40) MHz, and V{sub 3} = 837.1(17) cm{sup ?1}. High-level ab initio calculations which reproduce the experimentally determined values well indicate that the in-plane C–H bond in the methyl moiety is trans to the C–O bond, and other two protons are directed to the terminal oxygen atom for the most stable structure of syn-CH{sub 3}CHOO. The torsional barrier of the methyl top is fairly large in syn-CH{sub 3}CHOO, implying a significant interaction between the terminal oxygen and the protons of the methyl moiety, which may be responsible for the high production yields of the OH radical from energized alkyl-substituted Criegee intermediates.

  6. Lower hybrid instability driven by mono-energy {alpha}-particles with finite pitch angle spread in a plasma

    SciTech Connect (OSTI)

    Kumar, Pawan; Singh, Vishwesh; Tripathi, V. K. [Department of Physics, IIT Delhi, New Delhi-110016 (India)

    2013-02-15

    A kinetic formalism of lower hybrid wave instability, driven by mono-energy {alpha}-particles with finite pitch angle spread, is developed. The instability arises through cyclotron resonance interaction with high cyclotron harmonics of {alpha}-particles. The {alpha}-particles produced in D-T fusion reactions have huge Larmor radii ({approx}10 cm) as compared to the wavelength of the lower hybrid wave, whereas their speed is an order of magnitude smaller than the speed of light in vacuum. As a result, large parallel phase velocity lower hybrid waves, suitable for current drive in tokamak, are driven unstable via coupling to high cyclotron harmonics. The growth rate decreases with increase in pitch angle spread of the beam. At typical electron density of {approx}10{sup 19} m{sup -3}, magnetic field {approx}4 Tesla and {alpha}-particle concentration {approx}0.1%, the large parallel phase velocity lower hybrid wave grows on the time scale of 20 ion cyclotron periods. The growth rate decreases with plasma density.

  7. Removal of N-Alkyl Modifications from N[superscript 2]-Alkylguanine and N[superscript 4]-Alkylcytosine in DNA by the Adaptive Response Protein AlkB

    E-Print Network [OSTI]

    Li, Deyu

    The AlkB enzyme is an Fe(II)- and ?-ketoglutarate-dependent dioxygenase that repairs DNA alkyl lesions by a direct reversal of damage mechanism as part of the adaptive response in E. coli. The reported substrate scope of ...

  8. 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

  9. 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 4­22.5%. © 2005 Wiley Periodicals, Inc

  10. 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 °C undergoes 1,4-addition

  11. 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...

  12. 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)

  13. Effect of mono- and dichromatic light quality on growth rates and photosynthetic performance of Synechococcus sp. PCC 7002

    SciTech Connect (OSTI)

    Bernstein, Hans C.; Konopka, Allan; Melnicki, Matthew R.; Hill, Eric A.; Kucek, Leo A.; Zhang, Shuyi; Shen, Gaozhong; Bryant, Donald A.; Beliaev, Alex S.

    2014-09-19

    Synechococcus sp. PCC 7002 was grown to steady state in optically thin turbidostat cultures under conditions for which light quantity and quality was systematically varied by modulating the output of narrow-band LEDs. Cells were provided photons absorbed primarily by chlorophyll (680 nm) or phycocyanin (630 nm) as the organism was subjected to four distinct mono- and dichromatic regimes. During cultivation with dichromatic light, growth rates displayed by Synechococcus sp. PCC 7002 were generally proportional to the total incident irradiance at values < 275 µmol photons m-2 s-1 and were not affected by the ratio of 630:680 nm wavelengths. Notably, under monochromatic light conditions, cultures exhibited similar growth rates only when they were irradiated with 630 nm light; cultures irradiated with only 680 nm light grew at rates that were 60 – 70% of those under other light quality regimes at equivalent irradiances. The functionality of photosystem II and associated processes such as maximum rate of photosynthetic electron transport, rate of cyclic electron flow, and rate of dark respiration generally increased as a function of growth rate. Nonetheless, some of the photophysiological parameters measured here displayed distinct patterns with respect to growth rate of cultures adapted to a single wavelength including phycobiliprotein content, which increased under severely light-limited growth conditions. Additionally, the ratio of photosystem II to photosystem I increased approximately 40% over the range of growth rates, although cells grown with 680 nm light only had the highest ratios. These results suggest the presence of effective mechanisms which allow acclimation of Synechococcus sp. PCC 7002 acclimation to different irradiance conditions.

  14. 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...

  15. Cyclization of N-alkyl azinium cations with bifunctional nucleophiles. 21. Regioisomeric 1,3,4-thiadiazino(5,6-b)quinoxalines

    SciTech Connect (OSTI)

    Baklykov, V.G.; Charushin, V.N.; Chupakhin, O.N.; Drozd, V.N.

    1987-10-01

    Thiobenzyhydrazides undergo cyclization with N-alkyl-quinoxalinium salts to give 5-alkyl-substituted 1,4,4a,5,10,10a-hexahydro-1,3,4-thiadiazino(5,6-b)quinoxalines, which undergo isomerization to 10-alkyl-substituted thiadiazinoquinoxalines when they are heated in ethanol or in the presence of acids. The IR spectra of suspensions of the compounds in mineral oil were recorded with a UR-20 spectrometer. The PMR spectra of solutions in d/sub 6/-DMSO were recorded with Perkin-Elmer R-12B (60 MHz) and Brucker WP-80 (80 MHz) spectrometers with tetramethylsilane (TMS) and hexamethyldisiloxane (HMDS) as the internal standards. The /sup 13/C NMR spectra of solutions in d/sub 6/-DMSO were recorded with Brucker WH-90 (22.62 MHz) and Varian FT-80A (20.13 MHz) spectrometers. The chemical shifts were measured with respect to the signal of the solvent (d/sub 6/-DMSO, 39.6 ppm).

  16. 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 [{?³-N,Si,C-PhB(OxMe²)(OxMe²SiHPh)ImMes}Rh(H)CO][HB(C?F?)?] (2, OxMe² = 4,4-dimethyl-2-oxazoline; ImMes = 1-mesitylimidazole) is synthesized from the neutral rhodium silyl {PhB(OxMe²)?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(OxMe²)?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 »of 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.« less

  17. 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 ‘dry’ 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.

  18. Quantifying the Sigma and Pi interactions between U(V) f orbitals and halide, alkyl, alkoxide, amide and ketimide ligands

    SciTech Connect (OSTI)

    University of California, Berkeley; Lukens, Wayne W.; Edelstein, Norman M.; Magnani, Nicola; Hayton, Trevor W.; Fortier, Skye; Seaman, Lani A.

    2013-06-20

    f Orbital bonding in actinide and lanthanide complexes is critical to their behavior in a variety of areas from separations to magnetic properties. Octahedral f1 hexahalide complexes have been extensively used to study f orbital bonding due to their simple electronic structure and extensive spectroscopic characterization. The recent expansion of this family to include alkyl, alkoxide, amide, and ketimide ligands presents the opportunity to extend this study to a wider variety of ligands. To better understand f orbital bonding in these complexes, the existing molecular orbital (MO) model was refined to include the effect of covalency on spin orbit coupling in addition to its effect on orbital angular momentum (orbital reduction). The new MO model as well as the existing MO model and the crystal field (CF) model were applied to the octahedral f1 complexes to determine the covalency and strengths of the ? and ? bonds formed by the f orbitals. When covalency is significant, MO models more precisely determined the strengths of the bonds derived from the f orbitals; however, when covalency was small, the CF model was better than either MO model. The covalency determined using the new MO model is in better agreement with both experiment and theory than that predicted by the existing MO model. The results emphasize the role played by the orbital energy in determining the strength and covalency of bonds formed by the f orbitals.

  19. SU-E-T-567: A Three-Field Mono-Isocentric Inverse Treatment Planning Method for the Patients with Larger Breasts

    SciTech Connect (OSTI)

    Zhang, T; Marina, O; Chen, P; Teahan, M; Liu, Q; Benedetti, L

    2014-06-01

    Purpose: The purpose of this study is to develop a three-field monoisocentric inverse breast treatment planning technique without the use of half-beam block. Methods: Conventional three-field breast treatment with supraclavicular half-beam blocked requires two isocenters when the breast is too large to be contained within half-beam. The inferior border of the supraclavicular field and superior borders of the breast fields are matched on patient's skin with the light field. This method causes a large dose variation in the matching region due to daily setup uncertainties and requires a longer treatment setup time. We developed a three-field mono-isocentric planning method for the treatment of larger breasts. The three fields share the same isocenter located in the breast. Beam matching is achieved by rotating collimator, couch and gantry. Furthermore, we employed a mixed open-IMRT inverse optimization method to improve dose uniformity and coverage. Results: Perfect geometric beam matching was achieved by rotating couch, collimator and gantry together. Treatment setup time was significantly reduced without light-field matching during treatment deliveries. Inverse mixed open-IMRT optimization method achieved better dose uniformity and PTV coverage while keeping sufficient air flash to compensate setup and breast shape changes in daily treatments. Conclusion: By eliminating light field matching, the three-field mono-isocentric treatment method can significantly reduce setup time and uncertainty for large breast patients. Plan quality is further improved by inverse IMRT planning.

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

    SciTech Connect (OSTI)

    Cuadrado, Irene [Departamento de Farmacología, Facultad de Farmacia, Universidad Complutense, Plaza Ramón y Cajal s/n, 28040 Madrid (Spain)] [Departamento de Farmacología, Facultad de Farmacia, Universidad Complutense, Plaza Ramón y Cajal s/n, 28040 Madrid (Spain); Cidre, Florencia; Herranz, Sandra [Unidad de Inflamación y Cáncer. Área de Biología Celular y Desarrollo. Centro Nacional de Microbiología, Instituto de Salud Carlos III, Madrid (Spain)] [Unidad de Inflamación y Cáncer. Área de Biología Celular y Desarrollo. Centro Nacional de Microbiología, Instituto de Salud Carlos III, Madrid (Spain); Estevez-Braun, Ana [Instituto Universitario de Bio-Orgánica “Antonio González”. Universidad de La Laguna. Avda. Astrofísico Fco. Sánchez 2. 38206. La Laguna, Tenerife (Spain) [Instituto Universitario de Bio-Orgánica “Antonio González”. Universidad de La Laguna. Avda. Astrofísico Fco. Sánchez 2. 38206. La Laguna, Tenerife (Spain); Instituto Canario de Investigaciones del Cáncer (ICIC) (Spain); Heras, Beatriz de las, E-mail: lasheras@farm.ucm.es [Departamento de Farmacología, Facultad de Farmacia, Universidad Complutense, Plaza Ramón y Cajal s/n, 28040 Madrid (Spain); Hortelano, Sonsoles, E-mail: shortelano@isciii.es [Unidad de Inflamación y Cáncer. Área de Biología Celular y Desarrollo. Centro Nacional de Microbiología, Instituto de Salud Carlos III, Madrid (Spain)] [Unidad de Inflamación y Cáncer. Área de Biología Celular y Desarrollo. Centro Nacional de Microbiología, 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-?).

  1. Chemistry of enol ethers. LXXXIV. Condensation of acetals of saturated aldehydes with 2-trimethylsilyloxy-1,3-dienes. Synthesis of /beta/-alkoxy-alkyl vinyl and divinyl ketones

    SciTech Connect (OSTI)

    Makin, S.M.; Nazarova, O.N.; Dymshakova, G.M.; Kundryutskova, L.A.

    1988-11-10

    The addition of the acetals of saturated aldehydes (formaldehyde, acetaldehyde, propionaldehyde, butyraldehyde, and isobutyraldehyde) to 2-trimethylsilyloxy-4-methyl-1,3-pentadiene in the presence of aprotic acids (ZnCl/sub 2/, ZnBr/sub 2/, FeCl/sub 3/, SnCl/sub 4/, BF/sub 3/ /times/ OEt/sub 2/) takes place at positions 1, 2 of the diene system with the formation of /beta/-alkoxyalkyl vinyl ketones. The most effective catalysts of this reaction were stannic chloride and zinc bromide. The alkyl derivatives of divinyl ketones are formed when the obtained /beta/-alkoxyalkyl vinyl ketones are heated with p-toluenesulfonic acid.

  2. 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.

  3. Co2(CO)8 Mediated PausonKhand Reaction (PKR)

    E-Print Network [OSTI]

    Stoltz, Brian M.

    , Methanol, Hexanes, Ethyl Acetate, etc. Completely compatible with ethers, alcohols, 3° amines, thioethers, ketones, ketals, esters, 3° amides, aromatic rings (benzene furan, thiophene) Partial tolerance to alkyl

  4. 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

  5. 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.

  6. Light-ion production in the interaction of 175 MeV quasi-mono-energetic neutrons with iron and with bismuth

    E-Print Network [OSTI]

    Bevilacqua, R; Pomp, S; Andersson, P; Blomgren, J; Gustavsson, C; Hjalmarsson, A; Simutkin, V D; Österlund, M; Koning, A J; Prokofiev, A V; Hayashi, M; Hirayama, S; Naitou, Y; Watanabe, Y; Tippawan, U; Mashnik, S G; Kerby, L M; Lecolley, F -R; Marie, N; David, J -C; Leray, S

    2014-01-01

    Nuclear data for neutron-induced reactions in the intermediate energy range of 20 to 200 MeV are of great importance for the development of nuclear reaction codes since little data exist in that range. Also several different applications benefit from such data, notably accelerator-driven incineration of nuclear waste. The Medley setup was used for a series of measurements of p, d, t, $^3$He and $\\alpha$-particle production by 175 MeV quasi-mono-energetic neutrons on various target nuclei. The measurements were performed at the The Svedberg Laboratory in Uppsala, Sweden. Eight detector telescopes placed at angles between 20$^\\circ$ and 160$^\\circ$ were used. Medley uses the $\\Delta E$-$\\Delta E$-$E$ technique to discriminate among the particle types and is able to measure double-differential cross sections over a wide range of particle energies. This paper briefly describes the experimental setup, summarizes the data analysis and reports on recent changes in the previously reported preliminary data set on bism...

  7. Light-ion production in the interaction of 175 MeV quasi-mono-energetic neutrons with iron and with bismuth

    E-Print Network [OSTI]

    R. Bevilacqua; K. Jansson; S. Pomp; P. Andersson; J. Blomgren; C. Gustavsson; A. Hjalmarsson; V. D. Simutkin; M. Österlund; A. J. Koning; A. V. Prokofiev; M. Hayashi; S. Hirayama; Y. Naitou; Y. Watanabe; U. Tippawan; S. G. Mashnik; L. M. Kerby; F. -R. Lecolley; N. Marie; J. -C. David; S. Leray

    2014-11-12

    Nuclear data for neutron-induced reactions in the intermediate energy range of 20 to 200 MeV are of great importance for the development of nuclear reaction codes since little data exist in that range. Also several different applications benefit from such data, notably accelerator-driven incineration of nuclear waste. The Medley setup was used for a series of measurements of p, d, t, $^3$He and $\\alpha$-particle production by 175 MeV quasi-mono-energetic neutrons on various target nuclei. The measurements were performed at the The Svedberg Laboratory in Uppsala, Sweden. Eight detector telescopes placed at angles between 20$^\\circ$ and 160$^\\circ$ were used. Medley uses the $\\Delta E$-$\\Delta E$-$E$ technique to discriminate among the particle types and is able to measure double-differential cross sections over a wide range of particle energies. This paper briefly describes the experimental setup, summarizes the data analysis and reports on recent changes in the previously reported preliminary data set on bismuth. Experimental data are compared with INCL4.5-Abla07, MCNP6 using CEM03.03, TALYS and PHITS model calculations as well as with nuclear data evaluations. The models agree fairly well overall but in some cases systematic differences are found.

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

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

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

    2011-01-01

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

  9. The mono-chlor, mono-iodo derivatives of toluene

    E-Print Network [OSTI]

    Long, Henry Johnson

    1922-01-01

    -iodo benzene. .......... 5 l-Methyl-2-amino-4-iodo benzene. 6 l-Methyl-2-benzoyl amino-4-iodo benzene. ...... 7 1-Methyl-2-acetyl amino-4-iodo benzene 7 l-Methyl-2-benzal araino-4-iodo benzene ••••••• 8 0-Tolyl, 2-iodo-6-methyl phenyl, thiourea 8... 1-Methyl-2-amino-4-iodo benzene hydrochloride. ... 9 1-METHYL-2-CH10R-5-I0D0 BENZEHE. .11 l-Methyl-2-chlor-5-acetyl amino benzene. ...... 11 l-Methyl-2-chlor-5-iodo-?-nitro benzene 13 l-Methyl-2-amino-5-iodo benzene. . . 14 1-METHYL - 2 -1ODO- 3...

  10. 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.

  11. Phosphine nickel complex as catalyst in reactions of organic bromides RBr with {alpha},{beta}-unsaturated ketones, nitriles, and esters. Conjugate addition of R group and H atom across the C=C bond

    SciTech Connect (OSTI)

    Lebedev, S.A.; Lopatina, V.S.; Petrov, E.S.

    1995-09-10

    Reactions of organic bromides, particularly of secondary and tertiary alkyl bromides, with {alpha},{beta}-unsaturated carbonyl compounds and acrylonitrile in the presence of the catalytic system nickel complex-zinc. The products correspond to the conjugate addition of the organic moiety of the bromide and a hydrogen atom across the C=C double bond of the unsaturated substrate. 9 refs., 1 tab.

  12. 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.

  13. 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.

  14. Inhibitors of glycogen synthase 3 kinase

    DOE Patents [OSTI]

    Schultz, Peter; Ring, David B.; Harrison, Stephen D.; Bray, Andrew M.

    2006-05-30

    Compounds of formula 1: ##STR00001## wherein R.sub.1 is alkyl, cycloalkyl, aryl, aralkyl, heteroaryl, or heteroaralkyl, substituted with 0 3 substituents selected from lower alkyl, halo, hydroxy, lower alkoxy, amino, lower alkyl-amino, and nitro; R.sub.2 is hydroxy, amino, or lower alkoxy; R.sub.3 is H, lower alkyl, lower acyl, lower alkoxy-acyl, or amino-acyl; R.sub.4 is H or lower alkyl; and pharmaceutically acceptable salts and esters thereof; are effective inhibitors of GSK3.

  15. 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.

  16. 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.

  17. Involvement of a chromatin modifier in response to mono-(2-ethylhexyl) phthalate (MEHP)-induced Sertoli cell injury: Probably an indirect action via the regulation of NF?B/FasL circuitry

    SciTech Connect (OSTI)

    Chen, Shiwei [Department of Urology, 174th Hospital of PLA, Fujian 361001 (China)] [Department of Urology, 174th Hospital of PLA, Fujian 361001 (China); Dong, Yushu [Department of Neurosurgery, 463rd Hospital of PLA, Shenyang 110042 (China)] [Department of Neurosurgery, 463rd Hospital of PLA, Shenyang 110042 (China); Xu, Chun; Jiang, Liming; Chen, Yongjie; Jiang, Cheng [Department of Urology, 174th Hospital of PLA, Fujian 361001 (China)] [Department of Urology, 174th Hospital of PLA, Fujian 361001 (China); Hou, Wugang, E-mail: gangwuhou@163.com [Department of Anesthesiology, Xijing Hospital, Fourth Military Medical University, Xi’an 710032 (China)] [Department of Anesthesiology, Xijing Hospital, Fourth Military Medical University, Xi’an 710032 (China); Li, Wei, E-mail: liweipepeyato@163.com [Department of Human Anatomy, Histology and Embryology, Fourth Military Medical University, Xi’an 710032 (China)] [Department of Human Anatomy, Histology and Embryology, Fourth Military Medical University, Xi’an 710032 (China)

    2013-11-01

    Highlights: •MTA1 expression is upregulated in SCs upon MEHP treatment. •Knockdown of MTA1 in SCs impairs the MEHP-induced NF?B signaling activation. •Knockdown of MTA1 inhibits recruitment of NF?B onto FasL promoter in MEHP-treated SCs. -- Abstract: The Fas/FasL signaling pathway, controlled by nuclear factor-?B (NF?B) at the transcriptional level, is critical for triggering germ cell apoptosis in response to mono-(2-ethylhexyl) phthalate (MEHP)-induced Sertoli cell (SC) injury, but the exact regulation mechanism remain unknown. Here, we discovered that expression level of Metastasis associated protein 1 (MTA1), a component of the Mi-2/nucleosome remodeling and deacetylase complex, was upregulated in SCs during the early recovery after MEHP exposure. This expression change was in line with the dynamic changes in germ cell apoptosis in response to MEHP treatment. Furthermore, a knockdown of MTA1 by RNAi in SCs was found to impair the MEHP-induced early activation of NF?B pathway and abolish the recruitment of NF?B onto FasL promoter, which consequently diminished the MEHP-triggered FasL induction. Considering that Fas/FasL is a well characterized apoptosis initiating signaling during SCs injury, our results point to a potential “switch on” effect of MTA1, which may govern the activation of NF?B/FasL cascade in MEHP-insulted SCs. Overall, the MTA1/NF?B/FasL circuit may serve as an important defensive/repairing mechanism to help to control the germ cell quality after SCs injury.

  18. Applied Engineering in Agriculture Vol. 22(4): 597-600 E 2006 American Society of Agricultural and Biological Engineers ISSN 0883-8542 597

    E-Print Network [OSTI]

    He, Brian

    . Application of alkaline catalysts can also lead to undesired soap formation. This study evaluated the alkaline producers. Alkyl oxide solutions of sodium methox- ide (NaOCH3) or potassium methoxide (KOCH3) in metha- nol. Hydrolysis of triglycerides and alkyl esters may occur due to the presence of water, which further leads

  19. 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.

  20. Water-soluble polymers and compositions thereof

    DOE Patents [OSTI]

    Smith, B.F.; Robison, T.W.; Gohdes, J.W.

    1999-04-06

    Water-soluble polymers including functionalization from the group of amino groups, carboxylic acid groups, phosphonic acid groups, phosphonic ester groups, acylpyrazolone groups, hydroxamic acid groups, aza crown ether groups, oxy crown ethers groups, guanidinium groups, amide groups, ester groups, aminodicarboxylic groups, permethylated polyvinylpyridine groups, permethylated amine groups, mercaptosuccinic acid groups, alkyl thiol groups, and N-alkylthiourea groups are disclosed.

  1. Water-soluble polymers and compositions thereof

    DOE Patents [OSTI]

    Smith, Barbara F. (Los Alamos, NM); Robison, Thomas W. (Los Alamos, NM); Gohdes, Joel W. (Los Alamos, NM)

    2002-01-01

    Water-soluble polymers including functionalization from the group of amino groups, carboxylic acid groups, phosphonic acid groups, phosphonic ester groups, acylpyrazolone groups, hydroxamic acid groups, aza crown ether groups, oxy crown ethers groups, guanidinium groups, amide groups, ester groups, aminodicarboxylic groups, permethylated polvinylpyridine groups, permethylated amine groups, mercaptosuccinic acid groups, alkyl thiol groups, and N-alkylthiourea groups are disclosed.

  2. Introduccin Los monos aulladores vivientes, gnero Alouatta

    E-Print Network [OSTI]

    Rosenberger, Alfred H.

    genéticas, A. sara (Elliot, 1910) y A. arctoidea (Cabrera, 1940) fueron confirmados en la categoría a A. macconelli (Elliot, 1910) y A. straminea (Humboldt, 1812), a partir de dos AMEGHINIANA (Rev. Asoc

  3. Manufacturers and Part Numbers MonoChromator

    E-Print Network [OSTI]

    Denver, University of

    Gladbeck Way, Windmill Hill Enfield, Middlesex EN2 7JA (44) 181-367-3560 CPU: Ampro : CM4DXi 133 Mhz 990

  4. 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.

  5. Diastereoselective Alkylations of Oxazolidinone Glycolates: A Useful

    E-Print Network [OSTI]

    -85% with diastereoselectivities of >98:2. The enantioselective construction of chiral R-hydroxy acids and chiral 1,2-diols has

  6. Formation of Polymethylsiloxanes with Alkyl Side Groups

    E-Print Network [OSTI]

    North Texas, University of

    , and outstanding electrical properties.3 The properties of organosilicon polymers depend on the structure of the cheapest available. Potential applications of the materials we have obtained as stationary phases for gas

  7. Manganese-catalyzed carbonylation of alkyl iodides

    E-Print Network [OSTI]

    Westerhaus, Felix Alexander

    2009-01-01

    The palladium-catalyzed cross-coupling of aryl bromides with zirconocene-benzyne complexes has been investigated by S.L. Buchwald and coworkers. This method allows the formation of substituted biphenyls and terphenyls, ...

  8. Solid Catalyst - Alkylation - Energy Innovation Portal

    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 -7541 *ImpactScience(TechnicalForStormEnergyin0)Vehicles and

  9. 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.

  10. 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

  11. 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

  12. Synthesis of mono-dispersed nanofluids using solution plasma

    SciTech Connect (OSTI)

    Heo, Yong Kang; Bratescu, Maria Antoaneta; Ueno, Tomonaga; Saito, Nagahiro

    2014-07-14

    Small-sized and well-dispersed gold nanoparticles (NPs) for nanofluidics have been synthesized by electrical discharge in liquid environment using termed solution plasma processing (SPP). Electrons and the hydrogen radicals are reducing the gold ions to the neutral form in plasma gas phase and liquid phase, respectively. The gold NPs have the smallest diameter of 4.9?nm when the solution temperature was kept at 20?°C. Nucleation and growth theory describe the evolution of the NP diameter right after the reduction reaction in function of the system temperature, NP surface energy, dispersion energy barrier, and nucleation rate. Negative charges on the NPs surface during and after SPP generate repulsive forces among the NPs avoiding their agglomeration in solution. Increasing the average energy in the SPP determines a decrease of the zeta potential and an increase of the NPs diameter. An important enhancement of the thermal conductivity of 9.4% was measured for the synthesized nanofluids containing NPs with the smallest size.

  13. Electrochemical hydrogen permeation studies of several mono- and diamines

    SciTech Connect (OSTI)

    Al-Janabi, Y.T.; Lewis, A.L. [Saudi Aramco, Dhahran (Saudi Arabia). Lab. Research and Development Center; Oweimreen, G.A. [King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia). Dept. of Chemistry

    1995-09-01

    The combined presence of moisture and hydrogen sulfide, known in the oil industry as a sour environment, enhances corrosion reactions at a metal surface as well as promotes the entry of hydrogen atoms, resulting from these reactions, into the metal. Increased entry of hydrogen atoms increases the probability of occurrence of hydrogen-induced cracking. The objective of this study is to evaluate the ability of several organic amines to inhibit the overall process of hydrogen entry and to relate their inhibition abilities to their molecular structures. The diffusion coefficients for the permeation of hydrogen atoms through steel estimated in this study using the time-lag and Laplace methods are of the same order of magnitude as those in the published literature. In several hydrogen permeation curves, a characteristic hump was observed. The authors propose that this hump is due to the trapping of hydrogen at sites other than voids and microvoids. The electrochemical system was also sued to study the effectiveness of diethanolamine (DEA), morpholine (MOR), triethanolamine (TEA), ethylenediamine (EDA), and hexamethylene diamine (HMDA) in inhibiting the entry of hydrogen atoms into steel. The diamines were found to be more effective than the monoamines. A nonlinear relationship was observed between the inhibition effectiveness and the concentration of the amines studied. The inhibiting abilities of the monoamines were similar at the high concentration limit (0.01 M) but followed the trend TEA > MOR > DEA at the low concentration limit (5 {times} 10{sup {minus}5} M). For the diamines the inhibiting abilities were also similar at the high concentration limit (5 {times} 10{sup {minus}3} M) and followed the trend HMDA > EDA at the low concentration limit (5 {times} 10{sup {minus}5} M).

  14. Charge Transport Across Insulating Self-Assembled Mono layers...

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: English Subject: catalysis (homogeneous), solar (photovoltaic), bio-inspired, charge transport, mesostructured materials, materials...

  15. Surface spectroscopic studies of mono- and bimetallic model catalysts 

    E-Print Network [OSTI]

    Yi, Cheol-Woo

    2007-04-25

    by physical vapor deposition (PVD) onto well-characterized metal substrates. Subsequent characterization was performed using an arsenal of modern surface science tools: low energy ion scattering spectroscopy (LEISS), infrared absorption spectroscopy (IRAS...

  16. Student Research Project Layer 2 network interface for Mono

    E-Print Network [OSTI]

    3.2 Functionality of the C# library . . . . . . . . . . . . . . . . . 9 3.2.1 public class procle . . . . . . . . . . . . . . . . . . . . . . . . . 6 3 User space internals 8 3.1 Functionality of the C library: . . . . . . . . . . . . . . . . . . 8;Abstract The design and functionality of a layer 2 network interface that originated within the scope

  17. Copper mediated synthesis of mono-and dichlorinated diaryl ethers

    E-Print Network [OSTI]

    Cirkva, Vladimir

    ): (ppm) 158.32, 156.28, 135.01, 130.45, 129.91, 123.98, 123.15, 119.40, 118.75, 116.66. GC/MS (EI, 70 e and after compound. Electron impact (EI) mass spectra (Thermo Scientific Focus DSQ) were determined (CDCl3, 75 MHz): (ppm) 157.19, 129.68, 123.15, 118.83. GC/MS (EI, 70 eV): m/z (%) 171 (13), 170 (M

  18. Coaxial Mono-Energetic Gamma Generator for Active Interrogation

    E-Print Network [OSTI]

    Ludewigt, Bernhard A.

    2010-01-01

    of Energy's National Nuclear Security Administration underof Homeland Security, Domestic Nuclear Detection Office

  19. Hydrologic and Geochemical Monitoring in Long Valley Caldera, Mono County,

    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:QAsource History View NewTexas: Energy Resources JumpNewTexas: EnergyHunterdonHutto,FuelEnergy Data

  20. Mono County, California: 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:QAsource History ViewMayo, Maryland: Energy ResourcesDec(Pritchett, 2004) |Monee, Illinois:UNEPJunction, New

  1. Volcanism, Structure, and Geochronology of Long Valley Caldera, Mono

    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 JEnvironmental Jump to:EA EISTJThin FilmUnitedVairexVertVillageVitex Systems Jump to:County,

  2. Geochemistry of Thermal Waters in Long Valley, Mono County, California |

    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 ECoopButtePowerEdistoWhiskeyFootprintGEXAGemini SolarMichigan:Region,Reservoir| OpenOpen

  3. Hydrologic and Geochemical Monitoring in Long Valley Caldera, Mono County,

    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 APPENDIXsource History View NewGuam: Energyarea,MagazineTechnologiesInformation

  4. Charge Transport Across Insulating Self-Assembled Mono layers:

    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 Bacteria (TechnicalTransmission,TextitSciTech Connect TechnicalChanges

  5. North Shore Mono Lake Geothermal Area | 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 APPENDIXsourceII Jump to:Information 3rd| OpenInformation 9thNorthNewton SchoolNorth

  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. Early transitional metal alkyl, alkylidene, and alkylidyne chemistry

    E-Print Network [OSTI]

    Tonzetich, Zachary John

    2007-01-01

    CHAPTER 1. Zirconium and hafnium complexes of several new unsymmetric diamide ligands have been prepared and their proficiency in olefin polymerization reactions evaluated. The first set of supporting ligands examined are ...

  8. Oceanic alkyl nitrates as a natural source of tropospheric ozone

    E-Print Network [OSTI]

    Neu, Jessica L; Lawler, Michael J; Prather, Michael J; Saltzman, Eric S

    2008-01-01

    1997), The ASAD atmospheric chemistry integration package2007), Global atmospheric chemistry: Integrating overEhhalt (2001), Atmospheric chemistry and greenhouse gases,

  9. The Raman spectra of seventeen alkyl substituted cyclopentanes and cyclohexanes 

    E-Print Network [OSTI]

    Faubion, Billy Don

    1965-01-01

    - pentana suggested by Pitzer and Donath are shown in Figure III. 9 H H H CH H H H CH Figure 0 Two F orms of M ethylcyclohexone 0. 0 -. 24 . I 8 . lO . IO -. 29 ENVELOPE (Cs) HAL F-CHAIR ( C2) Figure III. Two F orms of Cyclopentone... ? Depolarization ratios corrected to theoretical maxbnum of 0. 75. ' forces l00 80 80 dIO AXIAL 20 0 IOO s3000 5500 5000 2500 2000 80 80 40 20 0 2000 2500 l000 Roman Shift in cm I 500 0 (4358. 35A) 79A5A K U 0N IPFPS)lY lLll8M'( IVI~ 7(iesrs...

  10. Oceanic alkyl nitrates as a natural source of tropospheric ozone

    E-Print Network [OSTI]

    Neu, Jessica L; Lawler, Michael J; Prather, Michael J; Saltzman, Eric S

    2008-01-01

    Chemical transport model ozone simulations for spring 2001ozonesondes, and Total Ozone Mapping Spectrometer columns,behaviour of tropospheric ozone precursors in a global 3-D

  11. Synthesis and Characterization of Pillared Monovalent Metal Alkyl Diphosphonates 

    E-Print Network [OSTI]

    Stouder, Kylee

    2012-04-19

    ....................................................................................... 28 REFERENCES .................................................................................................................. 29 CONTACT INFORMATION...-767. 30 CONTACT INFORMATION Name: Kylee Lauren Stouder Professional Address: c/o Dr. Abraham Clearfield Department of Chemistry MS 4227 Texas A&M University College Station, TX 77843 Email Address: ky.st27@tamu.edu Education: B...

  12. Solid Catalyzed Isoparaffin Alkylation at Supercritical Fluid and

    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 -7541 *ImpactScience(TechnicalForStormEnergyin0)Vehicles

  13. Electrophilic Metal Alkyl Chemistry in New Ligand Environments (Technical

    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) | SciTech(Journal Article)at the

  14. Electrophilic Metal Alkyl Chemistry in New Ligand Environments (Technical

    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) | SciTech(Journal Article)at theReport) | SciTech Connect

  15. Poly(ethyleneoxide) functionalization through alkylation (Patent) | SciTech

    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 NaturalDukeWakefieldSulfateSciTech ConnectSpeeding accessusers' guide.representationComplex ProvidesConnect

  16. Poly(ethyleneoxide) functionalization through alkylation (Patent) | SciTech

    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 NaturalDukeWakefieldSulfateSciTech ConnectSpeeding accessusers' guide.representationComplex

  17. alkyl and alkyl-oxygen nonbonding interactions that are greater in the hydroxylamines and oximes than in the

    E-Print Network [OSTI]

    Berry, R. Stephen

    changes in the CNC angle on going from the hydroxyl- amine to the radical, so steric effects are probably predict that the 0-H bond strengths in unhindered dialkylhydroxyl- amines are in the range 72-74 kcal

  18. Production of biodiesel using expanded gas solvents

    SciTech Connect (OSTI)

    Ginosar, Daniel M; Fox, Robert V; Petkovic, Lucia M

    2009-04-07

    A method of producing an alkyl ester. The method comprises providing an alcohol and a triglyceride or fatty acid. An expanding gas is dissolved into the alcohol to form a gas expanded solvent. The alcohol is reacted with the triglyceride or fatty acid in a single phase to produce the alkyl ester. The expanding gas may be a nonpolar expanding gas, such as carbon dioxide, methane, ethane, propane, butane, pentane, ethylene, propylene, butylene, pentene, isomers thereof, and mixtures thereof, which is dissolved into the alcohol. The gas expanded solvent may be maintained at a temperature below, at, or above a critical temperature of the expanding gas and at a pressure below, at, or above a critical pressure of the expanding gas.

  19. 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 ...

  20. 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.

  1. 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

  2. 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 [12­14]. PAMAM­OH dendrimers have the same structure as PAMAM­NH2 dendrimers (PAMAM) except the surface amine groups of PAMAM­NH2 alternate with hydroxyl groups. PAMAM­OH is relatively nontoxic due to the absence

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

    E-Print Network [OSTI]

    Lübbert, Hermann

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

  4. 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...

  5. 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

  6. 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 ...

  7. Lee Ufan and the Art of Mono-ha in Postwar Japan (1968-1972)

    E-Print Network [OSTI]

    Yoshitake, Mika Monique

    2012-01-01

    Shisshitsu),  1970.  Waste  oil  poured  on  concrete  Shisshitsu),  1970.  Waste  oil  poured  on   concrete  steel,  tent  canvas,  and  waste  oil.  Thus,  the  core  

  8. EXPERIMENTAL VALIDATION OF A DYNAMIC MODEL FOR A MONO-TUBE CAVITY RECEIVER

    E-Print Network [OSTI]

    power cycle. The steam engine is a modified 4 cylinder Diesel engine, coupled to an induction generator

  9. Vibrational Properties of Disordered Mono-and Bilayers of Physisorbed Sulfur Hexafluoride on Au(111)

    E-Print Network [OSTI]

    Sibener, Steven

    at cryogenic temperatures offer, in particular, key insights into adsorption kinetics, coverage dynamics, the translational motions of SF6 freeze prior to rotational degrees of freedom, leading to an orienta- tionally

  10. Lee Ufan and the Art of Mono-ha in Postwar Japan (1968-1972)

    E-Print Network [OSTI]

    Yoshitake, Mika Monique

    2012-01-01

    Electric  cord:  60   m,  Lightbulbs:  650W  and  60W.  Electric  cord:   60  m,  Lightbulbs:  650W  and  60W.  

  11. The Long Valley/Mono Basin Volcanic Complex: A Preliminary Magnetotell...

    Open Energy Info (EERE)

    that such techniques are profoundly affected by the highly three-dimensional structures associated with these complicated volcanic terranes. We argue that while simple...

  12. Enhanced Magneto-Optical Properties of Suspensions of Spindle Type Mono-Dispersed

    E-Print Network [OSTI]

    Reznikov, Yuri

    , National Academy of Sciences of Ukraine, Kiev, Ukraine 2 Laboratoire des Colloides, des Verres et des Nano, Institute of Physics, National Academy of Sciences of Ukraine, Pr. Nauki 46, Kiev 03028, Ukraine. Tel.: þ

  13. Copper-mediated synthesis of mono-and dichlorinated diaryl ethers Jan K. Cermk

    E-Print Network [OSTI]

    Cirkva, Vladimir

    and abiota matrices.1 With high lipophilicity and possible bioaccumulation and biomagnification in the food-known persistent organic pollutants, such as polychlorinated dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs

  14. Photocopia-A Unibody Mono-material Compact and Scalable Photomultiplier

    SciTech Connect (OSTI)

    Mulhollan, Gregory

    2014-12-01

    The Photocopia photomultiplier tube (PMT) takes advantage of two of the many unique properties of the hydrogenated amorphous silicon-germanium (a-SiGe) photoemitter material: its mechanical flexibility and mostly substrate-independent properties. The a-SiGe photoemitter has high secondary electron (SE) yield. It can be used both as the photocathode and as the gain medium. The active material can be grown on a flat, thin unibody substrate, formed and then “rolled up” ex situ. The completed structure would then be activated and sealed within a tube. The Ge component can be increased to enhance red-sensitivity. Compact sizes are possible, minimizing magnetic field effects. The Photocopia PMT will be a low cost alternative to MCPs for TOF detectors and provide better timing discrimination for Cherenkov detectors. Retention of the ability to activate to a normal photoyield state upon flexing (bending) the substrate of the a-SiGe material after growth, but prior to activation has been shown. The SE coefficient of the activated material has been characterized over the voltage range suitable for utilization as the gain material. The time response of the material is suited to PMT use.

  15. Density functional study of CaN mono and bilayer on Cu(001)

    SciTech Connect (OSTI)

    Zahedifar, Maedeh; Hashemifar, S. Javad, E-mail: hashemifar@cc.iut.ac.ir; Akbarzadeh, Hadi [Department of Physics, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of)] [Department of Physics, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of)

    2014-01-15

    Density functional - pseudopotential calculations are performed to provide first-principles insights into magnetic behaviour of bulk CaN and CaN monolayers on Cu(001) in the rock-salt (RS) and zinc-blende (ZB) structures. Our results indicate that both RS- and ZB-CaN exhibit half-metallic ferromagnetism originated from the incomplete 2p shell of the nitrogen ion. In contrast to the bulk CaN, the CaN monolayers on Cu(001) generally favor ZB structure. We argue that the more stable ZB-CaN thin films on Cu(001) are nonmagnetic, because of strong Cu-N bonding at the interface, while the less stable Ca terminated ZB-CaN thin films exhibit half-metallic ferromagnetism. The transition path between the high energy ferromagnetic and the stable nonmagnetic configurations of the ZB-CaN monolayer on Cu(001) are studied by using the nudged elastic band method. We observe a two stages transition and an activation barrier of about 1.18 eV in the minimum energy path of this transition.

  16. Manifestation of Coupled Geometric Complexity in Urban Road Networks under Mono-Centric Assumption

    E-Print Network [OSTI]

    Peiravian, Farideddin

    2015-01-01

    This article analyzes the complex geometry of urban transportation networks as a gateway to understanding their encompassing urban systems. Using a proposed ring-buffer approach and applying it to 50 urban areas in the United States, we measure road lengths in concentric rings from carefully-selected urban centers and study how the trends evolve as we move away from these centers. Overall, we find that the complexity of urban transportation networks is naturally coupled, consisting of two distinct patterns: (1) a fractal component (i.e., power law) that represent a uniform grid, and (2) a second component that can be exponential, power law, or logarithmic that captures changes in road density. From this second component, we introduce two new indices, density index and decay index, which jointly capture essential characteristics of urban systems and therefore can help us gain new insights into how cities evolve.

  17. THROUGH-BOND ENERGY TRANSFER CASSETTES FOR MULTIPLEXING & DEVELOPMENT OF METHODS FOR PROTEIN MONO-LABELING 

    E-Print Network [OSTI]

    Ueno, Yuichiro

    2010-07-14

    .8 Structures of cyanine dyes 73 and 74 used in this research....... 59 Figure 3.9 Absorption and fluorescence spectra of cyanine dyes 73 in EtOH.. 64 Figure 3.10 Absorption and fluorescence spectra of casetes 75a-c.......... 68 Figure 3.11 General... calcium phosphate (CP) nanoparticles in 0.1 M phosphate buffer (pH 7.4). 80 Figure 3.16 Absorption and fluorescence of casetes 75a-c doped calcium phosphate nanoparticles in 0.1 M phosphate buffer (pH 7.4)...... 82 Figure 3...

  18. Lee Ufan and the Art of Mono-ha in Postwar Japan (1968-1972)

    E-Print Network [OSTI]

    Yoshitake, Mika Monique

    2012-01-01

    intellectualism  that  fused  Pop  Art  and  influence  of  the  “cool”  styles  of  Pop   art)  to  chance  (Fluxus,  ??   bussh?)  of  Pop   Art  ironically  counterpoint,  

  19. Automated Detection of Performance Regressions: The Mono Experience Tomas Kalibera1

    E-Print Network [OSTI]

    Kent, University of

    .tuma}@mff.cuni.cz Abstract Engineering a large software project involves tracking the impact of development and maintenance with nondeterminism can be tackled using statistical methods. 1 Introduction The increase in scale and complexity of the operations mea- sured by a benchmark to differ each time the operations are executed. Because of this

  20. Heavy atom induced phosphorescence of organic materials using mono- and trifunctional organomercury derivatives 

    E-Print Network [OSTI]

    Burress, Charlotte Nicole

    2009-05-15

    This dissertation focuses on the phosphorescence of organic chromophores using perfluoro-ortho-phenylene mercury (1) and bis(pentafluorophenyl)mercury (2) as external heavy atom effect inducers. To ascertain the suitability of these luminescent...

  1. DYNAMIC SIMULATION OF MONO-TUBE CAVITY RECEIVERS FOR DIRECT STEAM GENERATION

    E-Print Network [OSTI]

    the completion of the 500 m2 SG4 dish concentrator system in 2009 [1], the Solar Thermal Group at the Australian to an electrical generator, a cooling tower and associated piping. The steam system is installed in a shipping to the water tank for reuse. The thermal output of the system exceeds the capacity of the steam engine

  2. EXPERIMENTAL VALIDATION OF A DYNAMIC MODEL FOR A MONO-TUBE CAVITY RECEIVER

    E-Print Network [OSTI]

    return between the receiver and the power block to move with the dish as it tracks the sun in two axes the dish tracking system, which informs of the position and status of the dish (e.g. on sun, tracking tracking device,

  3. The extraction of a mono-energetic neutron beam of maximum intensity from a nuclear reactor 

    E-Print Network [OSTI]

    Snow, Edward Clark

    1965-01-01

    of the tube at which the 40 cut was made. This plate was later to be welded into place to seal this end of the tube. A 3/4" aluminum flange to fit on the end of the beam-port was constructed from specifications supplied by the Nuclear Science Center... framework support. 19 20 10. Servo control system. 25 12. Servo control system for two rotations. Servo amplifier 26 27 LIST OF PICTURES PAGE Collimator in shielding plug. Extension tube. 7" silicon crystal in aluminum holder. Crystal, support...

  4. Characterization of mono-energetic charged-particle radiography for high energy density physics experiments

    E-Print Network [OSTI]

    Manuel, Mario John-Errol

    2008-01-01

    Charged-particle radiography, specifically protons and alphas, has recently been used to image various High-Energy-Density Physics objects of interest, including Inertial Confinement Fusion capsules during their implosions, ...

  5. The Great Diversion Project in the Owens River Valley and Mono Lake Area

    E-Print Network [OSTI]

    Polly, David

    not only produce water, but also can produce hydroelectric power due to the high elevation from which

  6. Geologic Map of the Long Valley Caldera, Mono-Inyo Craters Volcanic Chain,

    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:QAsource History View New PagesSustainable UrbanKentucky: EnergyGateway1997) | Open Energy2005) |(Laney,Jemezand

  7. Mono Hot Springs Pool & Spa Low Temperature Geothermal Facility | Open

    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:QAsource History ViewMayo, Maryland: Energy ResourcesDec(Pritchett, 2004) |Monee, Illinois:UNEPJunction, NewEnergy

  8. The Long Valley/Mono Basin Volcanic Complex: A Preliminary Magnetotelluric

    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 JEnvironmental Jump to:EA EISTJ AutomationTexas/Wind Resources <forGermanInternationaland

  9. Casa Diablo/Long Valley Caldera Area, Mono County | 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 JEnvironmentalBowerbank,Cammack Village, Arkansas:FundMichigan:North Carolina:Wisconsin:

  10. Hydrothermal Regime of the Southwest Moat of the Long Valley Caldera, Mono

    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 APPENDIXsource History View NewGuam:on Openei | Open Energy Information Exploration

  11. Searches with Mono-Leptons (Journal Article) | SciTech Connect

    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 NaturalDukeWakefieldSulfateSciTechtail. (Conference) |Janka,Ferrara U./INFN,Taş, Neslihan"RonSearches for SUSYSearches

  12. Searches with Mono-Leptons (Journal Article) | SciTech Connect

    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 NaturalDukeWakefieldSulfateSciTechtail. (Conference) |Janka,Ferrara U./INFN,Taş, Neslihan"RonSearches for

  13. New Directing Groups for Metal-Catalyzed Asymmetric Carbon–Carbon Bond-Forming Processes: Stereoconvergent Alkyl–Alkyl Suzuki Cross-Couplings of Unactivated Electrophiles

    E-Print Network [OSTI]

    Wilsily, Ashraf

    The ability of two common protected forms of amines (carbamates and sulfonamides) to serve as directing groups in Ni-catalyzed Suzuki reactions has been exploited in the development of catalytic asymmetric methods for ...

  14. Solvation studies on anion radicals of alkyl nitrobenzene derivatives in acetonitrile-alkyl alcohol solvent mixtures at 25 p0 sC 

    E-Print Network [OSTI]

    Chu, William Wen-Chen

    1970-01-01

    the coef- ficients al through a& 1 and Kl through K& for the formula (1) 1 2K1 1 + a3K1K2D2 ''' + t+1 I a (1) 1 + K1Dl K1K2 2 + ~ + K1K2' 'KS where a is the experimentally measured nitrogen hyperfine constant. Dl through D are functions of activities... of solvation complexes Rl through R&+i. Kl through K are equilibrium constants of solvation steps for i = '1 through s, e. q. step 1 through step s. is the number of solvation steps. Usually we apply a least squares approximation to determine...

  15. Wide bandgap OPV polymers based on pyridinonedithiophene unit with efficiency >5%

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

    Schneider, Alexander M.; Lu, Luyao; Manley, Eric F.; Zheng, Tianyue; Sharapov, Valerii; Xu, Tao; Marks, Tobin J.; Chen, Lin X.; Yu, Luping

    2015-06-04

    We report the properties of a new series of wide band gap photovoltaic polymers based on the N-alkyl 2-pyridone dithiophene (PDT) unit. These polymers are effective bulk heterojunction solar cell materials when blended with phenyl-C71-butyric acid methyl ester (PC71BM). They achieve power conversion efficiencies (up to 5.33%) high for polymers having such large bandgaps, ca. 2.0 eV (optical) and 2.5 eV (electrochemical). As a result, grazing incidence wide-angle X-ray scattering (GIWAXS) reveals strong correlations between ?–? stacking distance and regularity, polymer backbone planarity, optical absorption maximum energy, and photovoltaic efficiency.

  16. Periodic Mesoporous Organosilicas Functionalized with Sulfonic Acid Group. Synthesis and Alkylation of Phenol

    E-Print Network [OSTI]

    Kim, Ji Man

    they are intermediates in the agrochemical and polymer industries. They are traditionally manufactured via Friedel and potential environmental hazards as well as difficulties in recycling and disposal of the spent catalyst

  17. Computational Study of Chain Transfer to Monomer Reactions in High-Temperature Polymerization of Alkyl Acrylates

    E-Print Network [OSTI]

    Rappe, Andrew M.

    paint and coatings, adhesives, and functional additives.1-5 The basic nature of acrylic resins limits on allowable volatile organic contents (VOCs) of resins.6-8 High temperature (>100 °C

  18. Theoretical Study of Intermolecular Chain Transfer to Polymer Reactions of Alkyl Acrylates

    E-Print Network [OSTI]

    Rappe, Andrew M.

    are used in paint and coating formula- tions.1 Environmental regulations, which require the volatile organic content of resins to be less than 300 ppm, have caused changes in the basic design of resins used

  19. Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic ?,?-Dihaloketones

    E-Print Network [OSTI]

    Liang, Yufan

    The development of new approaches to the construction of fluorine-containing target molecules is important for a variety of scientific disciplines, including medicinal chemistry. In this Article, we describe a method for ...

  20. Use of Methionine Alkylation to Prepare Cationic and Zwitterionic Block Copolypeptide Vesicles

    E-Print Network [OSTI]

    Rodriguez, AR; Choe, UJ; Kamei, DT; Deming, TJ

    2015-01-01

    Millipore water and removing the excess liquid with filtermembranes and filter supports were soaked in Millipore water

  1. J. Am. Chem. SOC.1985, 107, 109-115 109 Alkylation of Enolate Ions

    E-Print Network [OSTI]

    Ellison, Barney

    for studying gas-phase ion-molecule chemistry in which the neutral reaction products are collected; material collected on this column is separated by capillary chromatography and the individual componentsare with a rate constant of 3.9 X cm3molecule-' + CH3Br - + Br- * + Br- s-l to produceonly the product resulting

  2. Reactivity of Bis(amino)cyclopropenylidenes (BACs) and Cyclic(alkyl)(amino)carbenes (CAACs):

    E-Print Network [OSTI]

    Kuchenbeiser, Glenn Richard

    2009-01-01

    D. R. ; Lavallo, V. ; O'Leary, D. J. ; Bertrand, G. ;D. R. ; Lavallo, V. ; O'Leary, D. J. ; Bertrand, G. ;D. R. ; Lavallo, V. ; O'Leary, D. J. ; Bertrand, G. ;

  3. Molecular simulation study of nanoscale friction between alkyl monolayers on Si,,111... immersed in solvents

    E-Print Network [OSTI]

    Zhang, Luzheng

    in solvents Luzheng Zhanga) and Shaoyi Jiangb) Department of Chemical Engineering, University of Washington monolayers immersed in liquid solvents. Three pairs of interfaces, ranging from hydrophobic CH3 /CH3 to hydrophilic OH/OH, were studied. Three solvents, including water, methanol, and n-decane were used

  4. Theoretical kinetic study of thermal unimolecular decomposition of cyclic alkyl radicals

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    : While many studies have been reported on the reactions of aliphatic hydrocarbons, the chemistry of cyclic hydrocarbons has not been explored extensively. In the present work, a theoretical study However, cycloalkanes and alkylcycloalkanes (in particular C5 and C6) are usually present in conventional

  5. Alkyl nitrate (C 1 -C 3 ) depth profiles in the tropical Pacific Ocean

    E-Print Network [OSTI]

    Dahl, E. E; Yvon-Lewis, S. A; Saltzman, E. S

    2007-01-01

    Experiment (WOCE), vol. 2, Pacific Ocean DRAFT, edited by M.over the equatorial Pacific Ocean during SAGA 3, J. Geophys.the troposphere over the Pacific Ocean during PEM- Tropics A

  6. Theoretical Study of Chain Transfer to Solvent Reactions of Alkyl Nazanin Moghadam,

    E-Print Network [OSTI]

    Rappe, Andrew M.

    to the oxygen atom in n-butanol, from the methylene group in MEK, and from a methyl group in p-xylene by a live(d,p), 6-311G(d), and 6-311G(d,p)) is investigated. Among n-butanol, sec-butanol, and tert- butanol, tert of chain transfer to n-butanol reactions compared to those of chain transfer to MEK and p-xylene reactions

  7. 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

  8. Fluoroalkyl containing salts combined with fluorinated solvents for electrolytes

    SciTech Connect (OSTI)

    Tikhonov, Konstantin; Yip, Ka Ki; Lin, Tzu-Yuan; Erickson, Michael Jason

    2015-04-21

    Provided are electrochemical cells and electrolytes used to build such cells. An electrolyte may include a fluoroalkyl-substituted LiPF.sub.6 salt or a fluoroalkyl-substituted LiBF.sub.4 salt. In some embodiments, at least one fluorinated alkyl of the salt has a chain length of from 1 to 8 or, more specifically, between about 2 and 8. These fluorinated alkyl groups, in particular, relatively large fluorinated alkyl groups improve solubility of these salts in fluorinated solvents that are less flammable than, for example, conventional carbonate solvents. At the same time, the size of fluoroalkyl-substituted salts should be limited to ensure adequate concentration of the salt in an electrolyte and low viscosity of the electrolyte. In some embodiments, the concentration of a fluoroalkyl-substituted salt is at least about 0.5M. Examples of fluorinated solvents include various fluorinated esters, fluorinated ethers, and fluorinated carbonates, such a 1-methoxyheptafluoropropane, methyl nonafluorobutyl ether, ethyl nonafluorobutyl ether, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-pentane, 3-ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-trifluoromethyl-hexane, and 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)-pentane.

  9. Coupled Dynamic Analysis of Large-Scale Mono-Column Offshore Wind Turbine with a Single Tether Hinged in Seabed 

    E-Print Network [OSTI]

    Chen, Jieyan

    2012-10-19

    The increased interest in the offshore wind resource in both industry and academic and the extension of the wind field where offshore wind turbine can be deployed has stimulated quite a number of offshore wind turbines concepts. This thesis presents...

  10. Saturated hydraulic conductivity determined by on ground mono-offset Ground-Penetrating Radar inside a single ring infiltrometer

    E-Print Network [OSTI]

    Léger, Emmanuel; Coquet, Yves

    2013-01-01

    In this study we show how to use GPR data acquired along the infiltration of water inside a single ring infiltrometer to inverse the saturated hydraulic conductivity. We used Hydrus-1D to simulate the water infiltration. We generated water content profiles at each time step of infiltration, based on a particular value of the saturated hydraulic conductivity, knowing the other van Genuchten parameters. Water content profiles were converted to dielectric permittivity profiles using the Complex Refractive Index Method relation. We then used the GprMax suite of programs to generate radargrams and to follow the wetting front using arrival time of electromagnetic waves recorded by a Ground-Penetrating Radar (GPR). Theoretically, the 1D time convolution between reflectivity and GPR signal at any infiltration time step is related to the peak of the reflected amplitude recorded in the corresponding trace in the radargram. We used this relation ship to invert the saturated hydraulic conductivity for constant and fallin...

  11. C-H Bond Strengths and Acidities in Aromatic Systems: Effects of Nitrogen Incorporation in Mono-, Di-, and Triazines

    E-Print Network [OSTI]

    Lineberger, W. Carl

    afterglow-selected ion tube (FA-SIFT) mass spectrometry to obtain deprotonation enthalpies (acidH298 of the corresponding radical in a thermochemical cycle to determine the corresponding C-H bond dissociation energy (BDE

  12. Catalytic Arene H/D Exchange with Novel Rhodium and Iridium Complexes

    E-Print Network [OSTI]

    Jones, William D.

    . Branched alkyl substituents in alkyl aromatics showed an affinity toward deuterium exchange in the -alkyl. Fagnou has shown the mechanism of palladium acetate direct arylation, through theoretical calculations

  13. 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...

  14. 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

  15. 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.

  16. 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 5’ 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...

  17. Synthesis of 4-carboxy-4-pyridylpiperidines through palladium-catalyzed α-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

  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. 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 acid­base interactions. However, in situ

  20. 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 (4­6). A great deal of work has provided a clear picture of the regio

  1. 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 ...

  2. 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...

  3. 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,

  4. 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

  5. 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 257° to 263°. The melting point of oxatoluid is record­ -32- e d a...

  6. 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

  7. 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.

  8. 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

  9. 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...

  10. 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.

  11. 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...

  12. 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

  13. 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

  14. 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 ...

  15. 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 ...

  16. 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

  17. 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

  18. 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.½tankSurfaceSciTechenergyand*

  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. Low Molecular Weight Organic Contaminants in Advanced Treatment: Occurrence, Treatment and Implications to Desalination and Water Reuse Systems

    E-Print Network [OSTI]

    Agus, Eva

    2011-01-01

    sulfides Alkyl disulfides Mercaptans ?hiophenols NITROGENOUS Alkyl amines Diamines Pyridine Indoles ACIDS Butanoic acid Valeric acid Isovaleric acid CARBONYL

  1. Chloroyttrium 2(1-(Arylimino)alkyl)quinolin-8-olate Complexes: Synthesis, Characterization, and Catalysis of the Ring-Opening

    E-Print Network [OSTI]

    Glaser, Rainer

    the polymerization in the BnOH-free process. Most polymers generated by BnOH-assisted catalysis possess Mn values materials" because they are biocompatible, readily biodegradable, and easily recyclable. Because showed low catalytic activity and resulted in polymers with relatively low molecular weights.5 In sharp

  2. Genomic phenotyping of the essential and non-essential yeast genome detects novel pathways for alkylation resistance

    E-Print Network [OSTI]

    Svensson, J. Peter

    Background: A myriad of new chemicals has been introduced into our environment and exposure to these agents can damage cells and induce cytotoxicity through different mechanisms, including damaging DNA directly. Analysis ...

  3. Effect of Alkyl Chain Length on the Conformation and Order of Simple Ionic Surfactants Adsorbed at the D2O/

    E-Print Network [OSTI]

    Richmond, Geraldine L.

    play an important role in many fields of chemistry due to their unique behavior at interfaces/liquid interfaces.1-10 In contrast, information on the molecular conformation and order of amphiphiles at the oil/water the orientation and adsorption of surface-active dyes at the oil/water interface using fluorescence,11

  4. Interactions of gaseous HNO3 and water with individual and mixed alkyl self-assembled monolayers at room temperature.

    E-Print Network [OSTI]

    Nishino, Noriko; Hollingsworth, Scott A; Stern, Abraham C; Roeselová, Martina; Tobias, Douglas J; Finlayson-Pitts, Barbara J

    2014-01-01

    of gaseous HNO 3 and water with individual and mixed alkylon all SAM surfaces when water is removed. Results ofof gas-phase HNO 3 and water on organic films using a C8

  5. Interactions of gaseous HNO3 and water with individual and mixed alkyl self-assembled monolayers at room temperature.

    E-Print Network [OSTI]

    Nishino, Noriko; Hollingsworth, Scott A; Stern, Abraham C; Roeselová, Martina; Tobias, Douglas J; Finlayson-Pitts, Barbara J

    2014-01-01

    of even small amounts of water vapor (revised Fig.  of the CI and POZ by water under tropospheric http://mechanism and the effects of water and irradiation remain 

  6. Synthesis and Characterization of (Tris(3,5-dimethylpyrazolyl)borato)rhodium Alkyl and Vinyl Chloride Complexes

    E-Print Network [OSTI]

    Jones, William D.

    -reducing side reactions. Additionally, secondary derivatives of normal alkanes cannot be prepared by this method, it is not economical due to the sacrifice of 1 equiv of neopentyl isocyanide. Chambron and co-workers have reported. Powell and co-workers have reported a method for synthesizing a wide range of air-stable Rh

  7. J. Chem. Soc., Dalton Trans., 1997, Pages 30873096 3087 Preparation of new zirconium benzamidinates: alkyl derivatives and

    E-Print Network [OSTI]

    Hagadorn, John R.

    DALTON J. Chem. Soc., Dalton Trans., 1997, Pages 3087­3096 3087 Preparation of new zirconium, California 94720, USA A wide range of new zirconium(IV) derivatives utilizing the N,N -bis throughout the periodic table.16­18 We19 and others20­22 have published results on a variety of zirconium

  8. Microbial process for the preparation of acetic acid as well as solvent for its extraction from the fermentation broth

    DOE Patents [OSTI]

    Gaddy, James L. (Fayetteville, AR); Clausen, Edgar C. (Fayetteville, AR); Ko, Ching-Whan (Fayetteville, AR); Wade, Leslie E. (Corpus Christi, TX); Wikstrom, Carl V. (Fayetteville, AR)

    2002-01-01

    A modified water-immiscible solvent useful in the extraction of acetic acid from aqueous streams is a substantially pure mixture of isomers of highly branched di-alkyl amines. This solvent is substantially devoid of mono-alkyl amines and alcohols. Solvent mixtures formed of such a modified solvent with a desired cosolvent, preferably a low boiling hydrocarbon which forms an azeotrope with water are useful in the extraction of acetic acid from aqueous gaseous streams. An anaerobic microbial fermentation process for the production of acetic acid employs such solvents, under conditions which limit amide formation by the solvent and thus increase the efficiency of acetic acid recovery. Methods for the direct extraction of acetic acid and the extractive fermentation of acetic acid also employ the modified solvents and increase efficiency of acetic acid production. Such increases in efficiency are also obtained where the energy source for the microbial fermentation contains carbon dioxide and the method includes a carbon dioxide stripping step prior to extraction of acetic acid in solvent.

  9. Microbial process for the preparation of acetic acid as well as solvent for its extraction from the fermentation broth

    DOE Patents [OSTI]

    Gaddy, James L.; Clausen, Edgar C.; Ko, Ching-Whan; Wade, Leslie E.; Wikstrom, Carl V.

    2006-07-11

    A modified water-immiscible solvent useful in the extraction of acetic acid from aqueous streams is a substantially pure mixture of isomers of highly branched di-alkyl amines. This solvent is substantially devoid of mono-alkyl amines and alcohols. Solvent mixtures formed of such a modified solvent with a desired cosolvent, preferably a low boiling hydrocarbon which forms an azeotrope with water are useful in the extraction of acetic acid from aqueous gaseous streams. An anaerobic microbial fermentation process for the production of acetic acid employs such solvents, under conditions which limit amide formation by the solvent and thus increase the efficiency of acetic acid recovery. Methods for the direct extraction of acetic acid and the extractive fermentation of acetic acid also employ the modified solvents and increase efficiency of acetic acid production. Such increases in efficiency are also obtained where the energy source for the microbial fermentation contains carbon dioxide and the method includes a carbon dioxide stripping step prior to extraction of acetic acid in solvent.

  10. Emissive sensors and devices incorporating these sensors

    SciTech Connect (OSTI)

    Swager, Timothy M; Zhang, Shi-Wei

    2013-02-05

    The present invention generally relates to luminescent and/or optically absorbing compositions and/or precursors to those compositions, including solid films incorporating these compositions/precursors, exhibiting increased luminescent lifetimes, quantum yields, enhanced stabilities and/or amplified emissions. The present invention also relates to sensors and methods for sensing analytes through luminescent and/or optically absorbing properties of these compositions and/or precursors. Examples of analytes detectable by the invention include electrophiles, alkylating agents, thionyl halides, and phosphate ester groups including phosphoryl halides, cyanides and thioates such as those found in certain chemical warfare agents. The present invention additionally relates to devices and methods for amplifying emissions, such as those produced using the above-described compositions and/or precursors, by incorporating the composition and/or precursor within a polymer having an energy migration pathway. In some cases, the compositions and/or precursors thereof include a compound capable of undergoing a cyclization reaction.

  11. Biodiesel research progress 1992-1997

    SciTech Connect (OSTI)

    Tyson, K.S.

    1998-04-01

    The US Department of Energy (DOE) Office of Fuels Development began evaluating the potential of various alternative fuels, including biodiesel, as replacement fuels for traditional transportation fuels. Biodiesel is derived from a variety of biological materials from waste vegetable grease to soybean oil. This alkyl ester could be used as a replacement, blend, or additive to diesel fuel. This document is a comprehensive summary of relevant biodiesel and biodiesel-related research, development demonstration, and commercialization projects completed and/or started in the US between 1992 and 1997. It was designed for use as a reference tool to the evaluating biodiesel`s potential as a clean-burning alternative motor fuel. It encompasses, federally, academically, and privately funded projects. Research projects are presented under the following topical sections: Production; Fuel characteristics; Engine data; Regulatory and legislative activities; Commercialization activities; Economics and environment; and Outreach and education.

  12. Biofuel alternatives to ethanol: pumping the microbial well

    E-Print Network [OSTI]

    Fortman, J. L.

    2010-01-01

    Escherichia coli: jojoba oil-like wax esters and fatty acidof isoprenoid wax ester in Marinobacterhydrocarbonoclasticuscoenzyme A synthetase and wax ester synthases. J. Bacteriol.

  13. A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes

    SciTech Connect (OSTI)

    Fahleson, Tobias; Norman, Patrick; Coriani, Sonia; Rizzo, Antonio; Rikken, Geert L. J. A.

    2013-11-21

    We report on the results of a systematic ab initio study of the Jones birefringence of noble gases, of furan homologues, and of monosubstituted benzenes, in the gas phase, with the aim of analyzing the behavior and the trends within a list of systems of varying size and complexity, and of identifying candidates for a combined experimental/theoretical study of the effect. We resort here to analytic linear and nonlinear response functions in the framework of time-dependent density functional theory. A correlation is made between the observable (the Jones constant) and the atomic radius for noble gases, or the permanent electric dipole and a structure/chemical reactivity descriptor as the para Hammett constant for substituted benzenes.

  14. Rheology Of MonoSodium Titanate (MST) And Modified Mst (mMST) Mixtures Relevant To The Salt Waste Processing Facility

    SciTech Connect (OSTI)

    Koopman, D. C.; Martino, C. J.; Shehee, T. C.; Poirier, M. R.

    2013-07-31

    The Savannah River National Laboratory performed measurements of the rheology of suspensions and settled layers of treated material applicable to the Savannah River Site Salt Waste Processing Facility. Suspended solids mixtures included monosodium titanate (MST) or modified MST (mMST) at various solid concentrations and soluble ion concentrations with and without the inclusion of kaolin clay or simulated sludge. Layers of settled solids were MST/sludge or mMST/sludge mixtures, either with or without sorbed strontium, over a range of initial solids concentrations, soluble ion concentrations, and settling times.

  15. Application of infrared birefringence imaging for measuring residual stress in multicrystalline, quasi-mono, dendritic web, and string ribbon silicon for solar cells

    E-Print Network [OSTI]

    Castellanos Rodríguez, Sergio

    2014-01-01

    One of the parameters with highest impact on photovoltaic module cost is manufacturing yield during solar cell production. Yield is, to a great extent, directly affected by the crystallization technique used to grow the ...

  16. the plasma is sufficiently short, then one can extract this mono-energetic bunch, before further wave-breaking of plasma oscil-

    E-Print Network [OSTI]

    Geddes, Cameron Guy Robinson

    . B 74, 355­361 (2002). 12. Clark, E. L. et al. Measurements of energetic proton transport through-current' of lower-energy electrons (marked (3) in Fig. 5). Indeed, in some simulations this `dark-current' is found to be greatly reduced if the trailing wake is sufficiently perturbed to prevent efficient trapping

  17. 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)

  18. OBSERVATIONS IN REACTIVITY BETWEEN BH CONTAINING COMPOUNDS AND ORGANOMETALLIC REAGENTS: SYNTHESIS OF BORONIC ACIDS, BORONIC ESTERS, AND MAGNESIUM HYDRIDES

    E-Print Network [OSTI]

    Clary, Jacob William

    2012-01-01

    zinc metal significantly accelerated the reaction. The neopentylglycolborylation of aryl iodides, bromides,

  19. 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...

  20. Nuclear magnetic resonance investigation of dynamics in poly(ethylene oxide)-based lithium polyether-ester-sulfonate ionomers

    SciTech Connect (OSTI)

    Roach, David J. [Pennsylvania State University, University Park, PA (United States); Dou, Shichen [Pennsylvania State University, University Park, PA (United States); Colby, Ralph H. [Pennsylvania State University, University Park, PA (United States); Mueller, Karl T. [Pacific Northwest Lab., Richland, WA (United States). Environmental Molecular Sciences Lab.

    2012-01-01

    Nuclear magnetic resonance (NMR) spectroscopy has been utilized to investigate the dynamics of poly(ethylene oxide)-based lithium sulfonate ionomer samples that have low glass transition temperatures. 1H and 7Li spin-lattice relaxation times (T1) of the bulk polymer and lithium ions, respectively, were measured and analyzed in samples with a range of ion contents. The temperature dependence of T1 values along with the presence of minima in T1 as a function of temperature enabled correlation times and activation energies to be obtained for both the segmental motion of the polymer backbone and the hopping motion of lithium cations. Similar activation energies for motion of both the polymer and lithium ions in the samples with lower ion content indicate that the polymer segmental motion and lithium ion hopping motion are correlated in these samples, even though their respective correlation times differ significantly. A divergent trend is observed for correlation times and activation energies of the highest ion content sample with 100% lithium sulfonation due to the presence of ionic aggregation. Details of the polymer and cation dynamics on the nanosecond timescale are discussed and complement the findings of X-ray scattering and Quasi Elastic Neutron Scattering experiments.

  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

    polymer and fiber. These results indicate that the filler is, in fact, kaolin clay and not calcium carbonate

  2. Structure of Human Epoxide Hydrolase Reveals Mechanistic Inferences on Bifunctional Catalysis in Epoxide and Phosphate Ester Hydrolysis,

    E-Print Network [OSTI]

    Hammock, Bruce D.

    is unclear. Recent experiments demonstrate that the N-terminal domain of human sEH catalyzes the metalStructure of Human Epoxide Hydrolase Reveals Mechanistic Inferences on Bifunctional Catalysis ReceiVed February 4, 2004 ABSTRACT: The X-ray crystal structure of human soluble epoxide hydrolase (s

  3. OBSERVATIONS IN REACTIVITY BETWEEN BH CONTAINING COMPOUNDS AND ORGANOMETALLIC REAGENTS: SYNTHESIS OF BORONIC ACIDS, BORONIC ESTERS, AND MAGNESIUM HYDRIDES

    E-Print Network [OSTI]

    Clary, Jacob William

    2012-01-01

    7.34A; Siemens Industrial Automation, Inc. : Madison, WI, (Package, Siemens Industrial Automation, Inc. : Madison,7.34A; Siemens Industrial Automation, Inc. : Madison, WI, (

  4. 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.

  5. 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, Université 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

  6. Nuclear magnetic resonance investigation of dynamics in poly(ethylene oxide)-based lithium polyether-ester-sulfonate ionomers

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

    Roach, David J. [Pennsylvania State University, University Park, PA (United States); Dou, Shichen [Pennsylvania State University, University Park, PA (United States); Colby, Ralph H. [Pennsylvania State University, University Park, PA (United States); Mueller, Karl T. [Pacific Northwest Lab., Richland, WA (United States). Environmental Molecular Sciences Lab.

    2012-01-01

    Nuclear magnetic resonance (NMR) spectroscopy has been utilized to investigate the dynamics of poly(ethylene oxide)-based lithium sulfonate ionomer samples that have low glass transition temperatures. 1H and 7Li spin-lattice relaxation times (T1) of the bulk polymer and lithium ions, respectively, were measured and analyzed in samples with a range of ion contents. The temperature dependence of T1 values along with the presence of minima in T1 as a function of temperature enabled correlation times and activation energies to be obtained for both the segmental motion of the polymer backbone and the hopping motion of lithium cations. Similar activation energies for motion of both the polymer and lithium ions in the samples with lower ion content indicate that the polymer segmental motion and lithium ion hopping motion are correlated in these samples, even though their respective correlation times differ significantly. A divergent trend is observed for correlation times and activation energies of the highest ion content sample with 100% lithium sulfonation due to the presence of ionic aggregation. Details of the polymer and cation dynamics on the nanosecond timescale are discussed and complement the findings of X-ray scattering and Quasi Elastic Neutron Scattering experiments.

  7. OBSERVATIONS IN REACTIVITY BETWEEN BH CONTAINING COMPOUNDS AND ORGANOMETALLIC REAGENTS: SYNTHESIS OF BORONIC ACIDS, BORONIC ESTERS, AND MAGNESIUM HYDRIDES

    E-Print Network [OSTI]

    Clary, Jacob William

    2012-01-01

    MSDS reference: 040, chemical abstracts 19287-45-7, UN no.MSDS reference: 040, chemical abstracts 19287-45-7, UN no.

  8. Mechanism for the hydrolysis of organophosphates and investigations into the stereoselective hydrolysis of organophosphorus Esters by Phosphotriesterase. 

    E-Print Network [OSTI]

    Aubert, Sarah Dwyer

    2006-04-12

    Phosphotriesterase (PTE) is a zinc metalloenzyme that catalyzes the hydrolysis of organophosphorus compounds. Metal ion roles during binding and catalysis are probed by comparing the kinetic properties of Zn/Zn, Cd/Cd, ...

  9. The effects of solvent mixtures on the gel permeation chromatography of alkanes, fatty acids, and fatty acid esters 

    E-Print Network [OSTI]

    Bolton, Patrick Lee

    1985-01-01

    with mixtures of 1:1 methanol-chloroform, 1:4 hexane- methylene chloride, 3:2 methylene chloride-acetone, 1:4 methylene chloride-acetone. Improved separation was observed because of enhanced partitioning and adsorption effects that occur with changing...- gold label o-dichlorohenzene- red label eicosane- 99% red label eicosanoic acid- 99% red label hexanoic acid- gold label octadecane- 97+% red label octane- 99+0 gold label octanoic acid- gold label sodium carbonate- gold label A. C. S...

  10. 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

    polymer-matrix composites. ” Composites Science and Technology.polymers exposed to hot, wet conditions. ” Composites Science and Technology.

  11. 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

  12. Nuclear magnetic resonance investigation of dynamics in poly(ethylene oxide)-based lithium polyether-ester-sulfonate ionomers

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

    Roach, David J.; Dou, Shichen; Colby, Ralph H.; Mueller, Karl T.

    2012-01-06

    Nuclear magnetic resonance (NMR) spectroscopy has been utilized to investigate the dynamics of poly(ethylene oxide)-based lithium sulfonate ionomer samples that have low glass transition temperatures. 1H and 7Li spin-lattice relaxation times (T1) of the bulk polymer and lithium ions, respectively, were measured and analyzed in samples with a range of ion contents. The temperature dependence of T1 values along with the presence of minima in T1 as a function of temperature enabled correlation times and activation energies to be obtained for both the segmental motion of the polymer backbone and the hopping motion of lithium cations. Similar activation energies formore »motion of both the polymer and lithium ions in the samples with lower ion content indicate that the polymer segmental motion and lithium ion hopping motion are correlated in these samples, even though their respective correlation times differ significantly. A divergent trend is observed for correlation times and activation energies of the highest ion content sample with 100% lithium sulfonation due to the presence of ionic aggregation. Details of the polymer and cation dynamics on the nanosecond timescale are discussed and complement the findings of X-ray scattering and Quasi Elastic Neutron Scattering experiments.« less

  13. New immobilized antimicrobial polyethylenimines : synthesis and properties

    E-Print Network [OSTI]

    Liu, Harris K. (Harris Ken-Ming)

    2014-01-01

    Surfaces modified with immobilized N-alkyl-polyethylenimines (N-alkyl-PEls) containing various alkyl groups were synthesized and tested against various pathogenic human influenza viruses to establish structure-to-virucidal ...

  14. Tobacco Control In California: Who's Winning The War? An Evalution of the Tobacco Control Program, 1989-1996

    E-Print Network [OSTI]

    Cancer Prevention and Control Program, University of California, San Diego

    1998-01-01

    Inyo, Kern, Kings, Mono, Tulare Cigars Pipes ChewingInyo, Kern, Kings, Mono, Tulare Source: CTS 1996 In 1990,Inyo, Kern, Kings, Mono,Tulare B-4 Sociodemographic Data

  15. Catalytic Enantioselective Cross-Couplings of Secondary Alkyl Electrophiles with Secondary Alkylmetal Nucleophiles: Negishi Reactions of Racemic Benzylic Bromides with Achiral Alkylzinc Reagents

    E-Print Network [OSTI]

    Cordier, Christopher J.

    We have developed a nickel-catalyzed method for the asymmetric cross-coupling of secondary electrophiles with secondary nucleophiles, specifically, stereoconvergent Negishi reactions of racemic benzylic bromides with achiral ...

  16. Comparison of the Electrical Properties and Chemical Stability of Crystalline Silicon(111) Surfaces Alkylated Using Grignard Reagents or Olefins with Lewis Acid Catalysts

    E-Print Network [OSTI]

    Webb, Lauren J.

    of electrically active trap sites.1 These surfaces are of great importance because as electronic devices surface bonds using scanning tunneling microscopy (STM) techniques28 or the transition metal

  17. Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs

    E-Print Network [OSTI]

    Girolami, Gregory S.

    storage materials.1-9 For example, ammonia borane, NH3 ·BH3, has an especially high gravimetric hydrogen as hydrogen storage materials.15-18 In a different context, metal complexes of amino- and amidoboranes can

  18. Dependence of Alkyl Chain Conformation of Simple Ionic Surfactants on Head Group Functionality As Studied by Vibrational Sum-Frequency Spectroscopy

    E-Print Network [OSTI]

    Richmond, Geraldine L.

    /liquid interfaces, much less is known about their behavior at the oil/water interface. This is particularly true of surface active dyes at the oil/water interface using fluorescence,4,5 resonance Raman scattering,6 in relevant in advances in enhanced oil recovery as well as the technologi- cally important field of emulsions

  19. NMR Study of the Synthesis of Alkyl-Terminated Silicon Nanoparticles from the Reaction of SiCl4 with the Zintl

    E-Print Network [OSTI]

    Augustine, Mathew P.

    *, Departments of Chemistry and Chemical Engineering and Material Science, One Shields Ave, University The synthesis of silicon nanoclusters and their characterization by multinuclear solid- state nuclear magnetic,7 have been developed. Recently, in our laboratory we accomplished an alternative solution

  20. Data-Based Monitoring and Fault-Tolerant Control of Nonlinear Processes

    E-Print Network [OSTI]

    Chilin, David

    2012-01-01

    process of alkylation of benzene with ethylene to produce ethylbenzene is widely used in the petrochemical

  1. Chemical Hygiene and Safety Plan

    E-Print Network [OSTI]

    Ricks Editor, R.

    2009-01-01

    alkylating agents. mustard gas (sulphur mustard) 2-violet A therapy (PUVA) mustard gas 2-naphthylamine thorium

  2. The effects of electronic delocalization in highly coupled mixed valence systems

    E-Print Network [OSTI]

    Lear, Benjamin James

    2007-01-01

    Magnetoswitchable electrochemistry gated by alkyl-chain-Electrochemistry focused on the electrochemistry and spectroelectrochemistry

  3. 84 | VOL.9 NO.1 | JANUARY2012 | nAture methods the reversible thioester linkage of palmitic acid on cysteines,

    E-Print Network [OSTI]

    Cai, Long

    to incomplete alkylation of free cysteines or capture of endogenous hydroxyl- amine-sensitive thioesters

  4. Phase change compositions

    DOE Patents [OSTI]

    Salyer, Ival O. (Dayton, OH); Griffen, Charles W. (Mason, OH)

    1986-01-01

    Compositions containing crystalline, long chain, alkyl hydrocarbons as phase change materials including cementitious compositions containing the alkyl hydrocarbons neat or in pellets or granules formed by incorporating the alkyl hydrocarbons in polymers or rubbers; and polymeric or elastomeric compositions containing alkyl hydrocarbons.

  5. Phase change compositions

    DOE Patents [OSTI]

    Salyer, Ival O. (Dayton, OH)

    1989-01-01

    Compositions containing crystalline, straight chain, alkyl hydrocarbons as phase change materials including cementitious compositions containing the alkyl hydrocarbons neat or in pellets or granules formed by incorporating the alkyl hydrocarbons in polymers or rubbers; and polymeric or elastomeric compositions containing alkyl hydrocarbons.

  6. Method for producing microcomposite powders using a soap solution

    DOE Patents [OSTI]

    Maginnis, Michael A. (Coker, AL); Robinson, David A. (Mobile, AL)

    1996-01-01

    A method for producing microcomposite powders for use in superconducting and non-superconducting applications. A particular method to produce microcomposite powders for use in superconducting applications includes the steps of: (a) preparing a solution including ammonium soap; (b) dissolving a preselected amount of a soluble metallic such as silver nitrate in the solution including ammonium soap to form a first solution; (c) adding a primary phase material such as a single phase YBC superconducting material in particle form to the first solution; (d) preparing a second solution formed from a mixture of a weak acid and an alkyl-mono-ether; (e) adding the second solution to the first solution to form a resultant mixture; (f) allowing the resultant mixture to set until the resultant mixture begins to cloud and thicken into a gel precipitating around individual particles of the primary phase material; (g) thereafter drying the resultant mixture to form a YBC superconducting material/silver nitrate precursor powder; and (h) calcining the YBC superconducting material/silver nitrate precursor powder to convert the silver nitrate to silver and thereby form a YBC/silver microcomposite powder wherein the silver is substantially uniformly dispersed in the matrix of the YBC material.

  7. Catalytic Upgrading of bio-oil using 1-octene and 1-butanol over sulfonic acid resin catalysts

    SciTech Connect (OSTI)

    Zhang, Zhijun; Wang, Qingwen; Tripathi, Prabhat; Pittman, Charles U.

    2011-02-04

    Raw bio-oil from fast pyrolysis of biomass must be refined before it can be used as a transporation fuel, a petroleum refinery feed or for many other fuel uses. Raw bio-oil was upgraded with the neat model olefin, 1-octene, and with 1-octene/1-butanol mixtures over sulfonic acid resin catalysts frin 80 to 150 degrees celisus in order to simultaneously lower water content and acidity and to increase hydrophobicity and heating value. Phase separation and coke formation were key factors limiting the reaction rate during upgrading with neat 1-octene although octanols were formed by 1-octene hydration along with small amounts of octyl acetates and ethers. GC-MS analysis confirmed that olefin hydration, carboxylic acid esterification, acetal formation from aldehydes and ketones and O- and C-alkylations of phenolic compounds occurred simultaneously during upgrading with 1-octene/1-butanol mixtures. Addition of 1-butanol increased olefin conversion dramatically be reducing mass transfer restraints and serving as a cosolvent or emulsifying agent. It also reacted with carboxylic acids and aldehydes/ketones to form esters, and acetals, respectively, while also serving to stabilize bio-oil during heating. 1-Butanol addition also protected the catalysts, increasing catalyst lifetime and reducing or eliminationg coking. Upgrading sharply increased ester content and decreased the amounts of levoglucosan, polyhydric alcohols and organic acids. Upgrading lowered acidity (pH value rise from 2.5 to >3.0), removed the uppleasant ordor and increased hydrocarbon solubility. Water content decreased from 37.2% to < 7.5% dramatically and calorific value increased from 12.6 MJ kg to about 30.0 MJ kg.

  8. Genomic Prospecting for Microbial Biodiesel Production

    E-Print Network [OSTI]

    Lykidis, Athanasios

    2008-01-01

    Sakai, Y. , and Kato, N. (2002) Wax ester production from n-Escherichia coli: jojoba oil-like wax esters and fatty acidSteinbuchel, A. (2005) The wax ester synthase/acyl coenzyme

  9. Down-regulation of four putative arabinoxylan feruloyl transferase genes from family PF02458 reduces ester-linked ferulate content in rice cell walls

    E-Print Network [OSTI]

    Piston, Fernando; Uauy, Cristobal; Fu, Lianhai; Langston, James; Labavitch, John; Dubcovsky, Jorge

    2010-01-01

    materials for ef?cient bioethanol production. In: Olsson L,BE (2004) Global potential bioethanol production from wasted

  10. Down-regulation of four putative arabinoxylan feruloyl transferase genes from family PF02458 reduces ester-linked ferulate content in rice cell walls

    E-Print Network [OSTI]

    Piston, Fernando; Uauy, Cristobal; Fu, Lianhai; Langston, James; Labavitch, John; Dubcovsky, Jorge

    2010-01-01

    of four putative arabinoxylan feruloyl transferase genescan cross- link different arabinoxylan molecules in the cellPF02458 may act as arabinoxylan feruloyl transferases. We

  11. A comparison of smectic phase induction in a series of isostructural two-ring esters by tail fluorination and tail elongation

    E-Print Network [OSTI]

    Kaszynski, Piotr

    length doubling in suppressing nematic phases in favour of smectic phases in bicyclo[2.2.2]octane (1B exclusively nematic phases. However, the SmA phase of 1C was significantly enhanced and a smectic B (Sm

  12. 3 Micro-mechanics based derivation of the materials constitutive 4 relations for carbon-nanotube reinforced poly-vinyl-ester-epoxy

    E-Print Network [OSTI]

    Grujicic, Mica

    and a tensile 67 strength around 8 GPa) relative to those found in the 68 SWCNTs, the lower-cost MWCNTs cost for the SWCNTs, even 61when they are produced using large-scale high-yield A1 M. Grujicic (&) A2 Department of Mechanical Engineering, Clemson A3 University, 241 Engineering Innovation Building, Clemson, A4

  13. Exploiting parameter space in MOFs: a 20-fold enhancement of phosphate-ester hydrolysis with UiO-66-NH 2

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

    Katz, Michael J.; Moon, Su-Young; Mondloch, Joseph E.; Beyzavi, M. Hassan; Stephenson, Casey J.; Hupp, Joseph T.; Farha, Omar K.

    2015-02-24

    The hydrolysis of nerve agents is of primary concern due to the severe toxicity of these agents. Using a MOF-based catalyst (UiO-66), we have previously demonstrated that the hydrolysis can occur with relatively fast half-lives of 50 minutes. However, these rates are still prohibitively slow to be efficiently utilized for some practical applications (e.g., decontamination wipes used to clean exposed clothing/skin/vehicles). We thus turned our attention to derivatives of UiO-66 in order to probe the importance of functional groups on the hydrolysis rate. Three UiO-66 derivatives were explored; UiO-66-NO2 and UiO-66-(OH)2 showed little to no change in hydrolysis rate. However,more »UiO-66-NH2 showed a 20 fold increase in hydrolysis rate over the parent UiO-66 MOF. Half-lives of 1 minute were observed with this MOF. In order to probe the role of the amino moiety, we turned our attention to UiO-67, UiO-67-NMe2 and UiO-67-NH2. In these MOFs, the amino moiety is in close proximity to the zirconium node. We observed that UiO-67-NH2 is a faster catalyst than UiO-67 and UiO-67-NMe2. We conclude that the role of the amino moiety is to act as a proton-transfer agent during the catalytic cycle and not to hydrogen bond or to form a phosphorane intermediate.« less

  14. Down-regulation of four putative arabinoxylan feruloyl transferase genes from family PF02458 reduces ester-linked ferulate content in rice cell walls

    E-Print Network [OSTI]

    Piston, Fernando; Uauy, Cristobal; Fu, Lianhai; Langston, James; Labavitch, John; Dubcovsky, Jorge

    2010-01-01

    materials for ef?cient bioethanol production. In: Olsson L,Global potential bioethanol production from wasted crops and

  15. Radial-Basis-Function-Network-Based Prediction of Performance and Emission Characteristics in a Bio Diesel Engine Run on WCO Ester

    E-Print Network [OSTI]

    Kumar, Shiva

    2012-01-01

    Radial basis function neural networks (RBFNNs), which is a relatively new class of neural networks, have been investigated for their applicability for prediction of performance and emission characteristics of a diesel ...

  16. Protonation of acyllithium reagents by acetonitrile: Synthesis of {beta}-hydroxy nitriles

    SciTech Connect (OSTI)

    Li, Nan-Sheng; Yu, Su; Kabalka, G.W. [Univ. of Tennessee, Knoxville, TN (United States)

    1995-09-08

    In recent years, the reaction of electrophiles with acyllithium (RCOLi) reagents has been extensively studied and has proven to be a convenient route to acylated products. For example, Seyferth reported that acyllithium reagents, generated in situ from an alkyllithium and carbon monoxide at -110 {degrees}C to -135 {degrees}C, would react with aldehydes, ketones, esters, lactones, isocyanates, isothiocyanates, carbodiimides, carbon disulfide, carbonyl sulfide, organic disulfides, iron pentacarbonyl, and trimethylchlorosilane to give acylated products. Nudelman found that the acyllithium generated from phenyllithium in the presence of alkyl bromides gave diphenylalkylcarbinols. The authors recently reported that trialkylboranes reacted with acyllithium reagents to afford ketones in modest yields. Although Seyferth predicted that acyl anion reagents might react with nitriles to afford addition products such as {alpha}-diketones, no report of a reaction of acyl anion reagents with nitriles has appeared in literature. Recently, the authors reported the first example of the protonation of acyllithium reagents by dichloromethane and dichloroarylmethane. The reaction affords the corresponding {alpha}, {alpha}-dichloro alcohols in excellent yields. The authors wish to report a new synthesis of {beta}-hydroxy nitriles which is based on the reaction of acyllithium with acetonitrile, Scheme 1. 1 tab.

  17. Process for producing biodiesel, lubricants, and fuel and lubricant additives in a critical fluid medium

    DOE Patents [OSTI]

    Ginosar, Daniel M.; Fox, Robert V.

    2005-05-03

    A process for producing alkyl esters useful in biofuels and lubricants by transesterifying glyceride- or esterifying free fatty acid-containing substances in a single critical phase medium is disclosed. The critical phase medium provides increased reaction rates, decreases the loss of catalyst or catalyst activity and improves the overall yield of desired product. The process involves the steps of dissolving an input glyceride- or free fatty acid-containing substance with an alcohol or water into a critical fluid medium; reacting the glyceride- or free fatty acid-containing substance with the alcohol or water input over either a solid or liquid acidic or basic catalyst and sequentially separating the products from each other and from the critical fluid medium, which critical fluid medium can then be recycled back in the process. The process significantly reduces the cost of producing additives or alternatives to automotive fuels and lubricants utilizing inexpensive glyceride- or free fatty acid-containing substances, such as animal fats, vegetable oils, rendered fats, and restaurant grease.

  18. The role of carboxylic acids in TALSQueak separations

    SciTech Connect (OSTI)

    Braley, Jenifer C.; Carter, Jennifer C.; Sinkov, Sergey I.; Nash, Ken L.; Lumetta, Gregg J.

    2012-04-13

    Recent reports have indicated TALSPEAK-type separations chemistry can be improved through the replacement of bis-2-ethyl(hexyl) phosphoric acid (HDEHP) and diethylenetriamine-N,N,N,N,N-pentaacetic acid (DTPA) with the weaker reagents 2-ethyl(hexyl) phosphonic acid mono-2-ethylhexyl ester (HEH[EHP]) and N-(2-hydroxyethyl)ethylenediamine-N,N',N'-triacetic acid (HEDTA), respectively. This modified TALSPEAK has been provided with an adjusted acronym of TALSQueak (Trivalent Actinide Lanthanide Separation using Quicker Extractants and Aqueous Komplexes). Among several benefits, TALSQueak chemistry provides more rapid phase transfer kinetics, is less reliant on carboxylic acids to mediate lanthanide extraction and allows a simplified thermodynamic description of the separations process that generally requires only parameters available in the literature to describe metal transfer. This manuscript focuses on the role of carboxylic acids in aqueous ternary (M-HEDTA-carboxylate) complexes, americium/lanthanide separations, and extraction kinetics. Spectrophotometry (UV-vis) of the Nd hypersensitive band indicates the presence of aqueous ternary species (K111 = 1.83 {+-} 0.01 at 1.0 M ionic strength, Nd(HEDTA) + Lac <-> Nd(HEDTA)Lac). Varying the carboxylic acid does not have a significant impact on Ln/Am separations or extraction kinetics. TALSqueak separations come to equilibrium in five minutes at the conventional operational pH of 3.6 using only 0.1 M total lactate or citrate.

  19. Perform Thermodynamics Measurements on Fuel Cycle Case Study Systems

    SciTech Connect (OSTI)

    Leigh R. Martin

    2014-09-01

    This document was prepared to meet FCR&D level 3 milestone M3FT-14IN0304022, “Perform Thermodynamics Measurements on Fuel Cycle Case Study Systems.” This work was carried out under the auspices of the Thermodynamics and Kinetics FCR&D work package. This document reports preliminary work in support of determining the thermodynamic parameters for the ALSEP process. The ALSEP process is a mixed extractant system comprised of a cation exchanger 2-ethylhexyl-phosphonic acid mono-2-ethylhexyl ester (HEH[EHP]) and a neutral solvating extractant N,N,N’,N’-tetraoctyldiglycolamide (TODGA). The extractant combination produces complex organic phase chemistry that is challenging for traditional measurement techniques. To neutralize the complexity, temperature dependent solvent extraction experiments were conducted with neat TODGA and scaled down concentrations of the ALSEP formulation to determine the enthalpies of extraction for the two conditions. A full set of thermodynamic data for Eu, Am, and Cm extraction by TODGA from 3.0 M HNO3 is reported. These data are compared to previous extraction results from a 1.0 M HNO3 aqueous medium, and a short discussion of the mixed HEH[EHP]/TODGA system results is offered.

  20. Genome analysis and physiological comparison of Alicycliphilus denitrificans strains BC and K601T

    SciTech Connect (OSTI)

    Oosterkamp, Margreet J.; Veuskens, Teun; Saia, Flavia Talarico; Weelink, Sander A.B.; Goodwin, Lynne A.; Daligault, Hajnalka E.; Bruce, David; Detter, J. Chris; Tapia, Roxanne; Han, Cliff; Land, Miriam L; Hauser, Loren John; Langenhoff, A. M.; Gerritse, Jan; Van Berkel, Willem J. H.; Pieper, Dietmar; Junca, Howard; Smidt, Hauke; Schraa, Gosse; Davids, Mark; Schaap, Peter J; Plugge, Caroline M.; Stams, Alfons J. M.

    2013-01-01

    The genomes of the Betaproteobacteria Alicycliphilus denitrificans strains BC and K601T have been sequenced to get insight into the physiology of the two strains. Strain BC degrades benzene with chlorate as electron acceptor. The cyclohexanol-degrading denitrifying strain K601T is not able to use chlorate as electron acceptor, while strain BC cannot degrade cyclohexanol. The 16S rRNA sequences of strains BC and K601T are identical and the fatty acid methyl ester patterns of the strains are similar. Basic Local Alignment Search Tool (BLAST) analysis of predicted open reading frames of both strains showed most hits with Acidovorax sp. JS42, a bacterium that degrades nitro-aromatics. The genomes include strain-specific plasmids (pAlide201 in strain K601T and pAlide01 and pAlide02 in strain BC). Key genes of chlorate reduction in strain BC were located on a 120 kb megaplasmid (pAlide01), which was absent in strain K601T. Genes involved in cyclohexanol degradation were only found in strain K601T. Benzene and toluene are degraded via oxygenase-mediated pathways in both strains. Genes involved in the meta-cleavage pathway of catechol are present in the genomes of both strains. Strain BC also contains all genes of the ortho-cleavage pathway. The large number of mono- and dioxygenase genes in the genomes suggests that the two strains have a broader substrate range than known thus far.

  1. 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)

  2. Productization and Manufacturing Scaling of High-Efficiency Solar Cell and Module Products Based on a Disruptive Low-Cost, Mono-Crystalline Technology: Final Technical Progress Report, April 1, 2009 - December 30, 2010

    SciTech Connect (OSTI)

    Fatemi, H.

    2012-07-01

    Final report for PV incubator subcontract with Solexel, Inc. The purpose of this project was to develop Solexel's Unique IP, productize it, and transfer it to manufacturing. Silicon constitutes a significant fraction of the total solar cell cost, resulting in an industry-wide drive to lower silicon usage. Solexel's disruptive Solar cell structure got around these challenges and promised superior light trapping, efficiency and mechanical strength, despite being significantly thinner than commercially available cells. Solexel's successful participation in this incubator project became evident as the company is now moving into commercial production and position itself to be competitive for the next Technology Pathway Partnerships (TPP) funding opportunity.

  3. Xavi Castillo llega con El Mono al MUA. El Museo de la Universidad de Alicante (MUA) acoge esta tarde, a las 19 horas, la representacin al aire libre de El

    E-Print Network [OSTI]

    Escolano, Francisco

    Orihuela; qué causa los terremotos en Orihue- la y su comarca; a qué se debe el hundimiento que sufren

  4. Sunderhauf, N., Lange, S., & Protzel, P. (2007). Using the Unscented Kalman Filter in Mono-SLAM with Inverse Depth Parametrization for Autonomous Airship Control. In Proc. of IEEE International Workshop on Safety Security and Rescue Robotics, SSRR 2007, R

    E-Print Network [OSTI]

    Protzel, Peter

    2007-01-01

    -SLAM with Inverse Depth Parametrization for Autonomous Airship Control. In Proc. of IEEE International Workshop-SLAM with Inverse Depth Parametrization for Autonomous Airship Control Niko S¨underhauf, Sven Lange and Peter -- In this paper, we present an approach for aiding control of an autonomous airship by the means of SLAM. We show

  5. Production of levulinic acid, furfural, and gamma valerolactone from C.sub.5 and C.sub.6 carbohydrates in mono- and biphasic systems using gamma-valerolactone as a solvent

    DOE Patents [OSTI]

    Dumesic, James A.; Alonso, David Martin; Gurbuz, Elif I.; Wettstein, Stephanie G.

    2013-03-19

    A method to make levulinic acid (LA), furfural, or gamma-valerolactone (GVL). React cellulose (and/or other C.sub.6 carbohydrates) or xylose (and/or other C.sub.5 carbohydrates) or combinations thereof in a monophasic reaction medium comprising GVL and an acid; or (ii) a biphasic reaction system comprising an organic layer comprising GVL, and a substantially immiscible aqueous layer. At least a portion of the cellulose (and/or other C.sub.6 carbohydrates), if present, is converted to LA and at least a portion of the xylose (and/or other C.sub.5 carbohydrates), if present, is converted into furfural.

  6. Distributed Model Predictive Control of Nonlinear and Two-Time-Scale Process Networks

    E-Print Network [OSTI]

    Chen, Xianzhong

    2012-01-01

    process of alkylation of benzene with ethylene to produce ethylbenzene is widely used in the petrochemicalprocess of alkylation of benzene with ethylene to produce ethylbenzene is widely used in the petrochemical

  7. Decontamination of water using nitrate selective ion exchange resin

    DOE Patents [OSTI]

    Lockridge, J.E.; Fritz, J.S.

    1990-07-31

    A method for nitrate decontamination of water which involves passing the water through a bed of alkyl phosphonium anion exchange resin which has pendant alkyl groups of C[sub 3] or larger.

  8. Exocyclic Carbons Adjacent to the N[superscript 6] of Adenine are Targets for Oxidation by the Escherichia coli Adaptive Response Protein AlkB

    E-Print Network [OSTI]

    Li, Deyu

    The DNA and RNA repair protein AlkB removes alkyl groups from nucleic acids by a unique iron- and ?-ketoglutarate-dependent oxidation strategy. When alkylated adenines are used as AlkB targets, earlier work suggests that ...

  9. Thermal Decomposition of Molecules Relevant to Combustion and Chemical Vapor Deposition by Flash Pyrolysis Time-of-Flight Mass Spectrometry

    E-Print Network [OSTI]

    Lemieux, Jessy Mario

    2013-01-01

    6 III. PYROLYSIS OF BENZYL RADICAL . . . . . . . .16 IV. PYROLYSIS OF ALKYL RADICALS . . . . . . . . . . . .75 V. PYROLYSIS OF LINEAR

  10. PREPARATION AND CRYSTAL STRUCTURE OF THE 1,2-DIMETHOXYETHANE COMPLEX OF BIS [DI(TRIMETHYLSILYL)AMIDO]DICHLOROURANIUM(IV)

    E-Print Network [OSTI]

    McCullough, Laughlin G.

    2013-01-01

    uranium, 1 have qiven rise to a series of alkyl and hydride derivatives that have a rich reaction chemistry.

  11. Figure S1. Relative contribution to total OH reactivity (a), of observed VOCs to calculated OH reactivity (b) and alkyl nitrate production (c,d) in the afternoon (12pm

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    .0050 0.65 i-butane 0.77 0.02 2.31E-12(4) 0.00088 0.086 n-Butane 2.2 0.077 2.51E-12(2) 0.011 0.26 n 0.05* 0.1 5.08E-12(2) 0.00048 0.0086 #12;4 2,3-dimethyl butane 0.17* 0.14 2.32E-12(10) 0.00048 0

  12. JOURNAL DE PHYSIQUE Colloque C3, suppleinent rru no 4, Tonze 40, Avril 1979,yugr C3-396 HIGH PRESSURE STUDIES ON 4'-n-ALKYL-4-CYANOBIPHENYLS

    E-Print Network [OSTI]

    Boyer, Edmond

    hydraulic press which incorporates a piston-cylinder device and which has been recently fabricated in our with hydraulic pumps made by Whitney, USA. The constructional as well as the workingdetails of this press laboratory. A special feature of this press is that both the end load ram and master ram pressures and hence

  13. Solvent extraction of thorium(IV), uranium(VI), and europium(III) with lipophilic alkyl-substituted pyridinium salts. Final report for subcontract 9-XZ2-1123E-1, June 1, 1992--December 1, 1995

    SciTech Connect (OSTI)

    Ensor, D.D.

    1997-01-01

    In the treatment of high level nuclear wastes, aromatic pyridinium salts which are radiation-resistant are desired for the extraction of actinides and lanthanides. The solvent extraction of Th{sup +4}, UO{sub 2}{sup +2}, and Eu{sup +3} by three aromatic extractants, 3,5-didodecylpyridinium nitrate (35PY), 2,6-didodecylpyridinium nitrate (26PY), and 1-methyl-3,5-didodecyl-pyridinium iodide (1M35PY) has been studied in nitric acid media. The general order of extractability of the three extractants in toluene was 1M35PY>> 26PY > 35PY. The overall extraction efficiency of the metal ions was Th{sup +4} >UO{sub 2}{sup +2} > Eu{sup +3}. The extraction of HNO{sub 3}, which was competitive with the extraction of metal ions, was quantitatively investigated by NaOH titration and UV spectrometry. The loading capacity suggested that the extracted species in the organic phase for thorium was (R{sub 4}N{sup +}){sub 2}Th(NO{sub 3}{sup -}){sub 6}, where R{sub 4}N{sup +} denotes 1M35PY. A comparison of 1M35PY to the well-characterized extractant, Aliquat-336, an aliphatic ammonium salt was made. At the same extractant concentration, 1M35PY extracted thorium more efficiently than Aliquat-336 at high acidity. Thorium could be readily stripped with dilute nitric acid from 1M35PY. After irradiation of 0.1M 1M35PY with {sup 60}Co at 40R/min for 48 hours, no change in the extraction efficiency of thorium was observed.

  14. Using Systems Biology Approaches to Elucidate the Mechanisms of Arsenic Reduction in Shewanella Sp. ANA-3

    E-Print Network [OSTI]

    Watson, Ruth Pamela Tilus

    2015-01-01

    A. Bangladesh. (2011). Microbes enhance mobility of arsenicof an arsenic respiring microbe from Mono Lake, CA AbstractOF AN ARSENIC RESPIRING MICROBE FROM MONO LAKE, CA A BSTRACT

  15. Effect of modifier Pd metal on hydrocracking of polyaromatic compounds over Ni-loaded Y-type zeolite and its application as hydrodesulfurization catalysts

    SciTech Connect (OSTI)

    Wada, Takema; Murata, Satoru; Nomura, Masakatsu [Osaka Univ. (Japan)

    1995-12-31

    Coal tar obtained from coal carbonization is a treasure of polyaromatic hydrocarbons, where more than 400 kinds of aromatic compounds are found to be contained. The development of new catalysts being able to convert these aromatics into mono or diaromatic compounds is one of objectives for utilization of polyaromatics. Hydrocracking of polyaromatic compounds is believed to proceed via formation of terminal-naphthenic ring of starting aromatic compounds, followed by cleavage of the naphthenic ring to produce alkylated aromatic compounds which has less numbers of ring than starting aromatics. Accordingly, hydrogenation of aromatic rings and cracking of resulting naphthenic rings are key steps of hydrocracking reaction, so that dual functional catalysts such as metal-supported acid catalysts are considered to be one of the best catalysts. Zeolite has controlled pore structures and strong acidity enough to crack naphthenic rings, being characteristics in exchanging metal species with ease. We have been studying the hydrocracking of polyaromatic compounds over Ni-loaded zeolite catalysts (ZSM-5, mordenite, and Y-type) and found the fact that pore size of zeolite exerts an interesting effect on product distribution. We also conducted computer-simulation for diffusion phenomena of the polyaromatic hydrocarbons in the pore of these zeolites and found that diffusion ability of the substrate affects strongly the product distributions Recently we found that modifying of Ni-loaded Y-type zeolite by Pd-loading enhanced hydrocracking ability of the catalyst. In this report, we would like to refer to the results of both hydrocracking reaction of pyrene and hydrodesulfurization of dibenzothiophene using Pd-modified Ni-loaded Y-type zeolite.

  16. Method of producing polyalkylated oligoalkylenepolyamines

    DOE Patents [OSTI]

    Elangovan, Arumugasamy

    2014-02-25

    A method of preparing polyalkylated oligoalkylenepolyamines is provided. The method includes contacting oligoalkylenepolyamine with a reagent composition comprising (a) alkyl bromide and/or alkyl chloride; (b) a basic agent; and (c) iodide salt. The alkylation reaction may be carried out in a polar, aprotic organic solvent.

  17. TOPICS IN ABSOLUTE ANABELIAN GEOMETRY III: GLOBAL RECONSTRUCTION ALGORITHMS

    E-Print Network [OSTI]

    Anabelian Geometry §I3. Dismantling the Two Combinatorial Dimensions of a Ring §I4. Mono-anabelian Log

  18. Why Mt Etna? C. Doglioni,1

    E-Print Network [OSTI]

    between these two approaches: (i) evo- lution and dip of the foreland mono- cline are used in Doglioni et

  19. Modeling and Verifying Security Policies in Business Processes

    E-Print Network [OSTI]

    , and decentralized. Air Traffic Management (ATM) systems, smart grids, and smart cities are not simple mono- lithic

  20. Arginine in Membranes: The Connection Between Molecular Dynamics Simulations and Translocon-Mediated Insertion Experiments

    E-Print Network [OSTI]

    2011-01-01

    and protocols for Na ? in GMO and dimyristoyl phospha-a glycerol mono oleate (GMO) bilayer suggests that charged

  1. Tobacco Use In California 1990-1991

    E-Print Network [OSTI]

    University of California, San Diego; California Department of Health Services; Westat, Inc.; Los Angels County Department of Health Services

    1991-01-01

    lnyo, Kern, Kings, Mono, Tulare 71.6 75.7 61.8 66.3 399,373lnyo. Kern, Kings. Mono, Tulare 58.9 4.4 19.1 9.8 7.8 43,357Inyo. Kern, Kings. Mono. Tulare 43.1 57.660 193 31.5 71,790

  2. Journal of Photochemistry and Photobiology A: Chemistry 198 (2008) 1317 Contents lists available at ScienceDirect

    E-Print Network [OSTI]

    Cirkva, Vladimir

    2008-01-01

    .elsevier.com/locate/jphotochem Microwave photocatalysis of mono-chloroacetic acid over nanoporous titanium(IV) oxide thin films using-assisted photocatalysis Electrodeless discharge lamp Mono-chloroacetic acid Nanoporous titanium oxide thin film a b s t r a c t The degradation of mono-chloroacetic acid (MCAA) by microwave-assisted photocatalysis has been

  3. Methods of making transportation fuel

    DOE Patents [OSTI]

    Roes, Augustinus Wilhelmus Maria (Houston, TX); Mo, Weijian (Sugar Land, TX); Muylle, Michel Serge Marie (Houston, TX); Mandema, Remco Hugo (Houston, TX); Nair, Vijay (Katy, TX)

    2012-04-10

    A method for producing alkylated hydrocarbons is disclosed. Formation fluid is produced from a subsurface in situ heat treatment process. The formation fluid is separated to produce a liquid stream and a first gas stream. The first gas stream includes olefins. The liquid stream is fractionated to produce at least a second gas stream including hydrocarbons having a carbon number of at least 3. The first gas stream and the second gas stream are introduced into an alkylation unit to produce alkylated hydrocarbons. At least a portion of the olefins in the first gas stream enhance alkylation. The alkylated hydrocarbons may be blended with one or more components to produce transportation fuel.

  4. Screening Hofmann Compounds as CO{sub 2} Sorbents: Nontraditional Synthetic Route to Over 40 Different Pore-Functionalized and Flexible Pillared Cyanonickelates

    SciTech Connect (OSTI)

    Culp, Jeffrey T.; Madden, Catherine; Kauffman, Kristi; Shi, Fan; Matranga, Christopher

    2013-04-15

    A simple reaction scheme based on the heterogeneous intercalation of pillaring ligands (HIPLs) provides a convenient method for systematically tuning pore size, pore functionality, and network flexibility in an extended series of pillared cyanonickelates (PICNICs), commonly referred to as Hofmann compounds. The versatility of the approach is demonstrated through the preparation of over 40 different PICNICs containing pillar ligands ranging from ?4 to ?15 Å in length and modified with a wide range of functional groups, including fluoro, aldehyde, alkylamine, alkyl, aryl, trifluoromethyl, ester, nitro, ether, and nonmetalated 4,4?-bipyrimidine. The HIPL method involves reaction of a suspension of preformed polymeric sheets of powdered anhydrous nickel cyanide with an appropriate pillar ligand in refluxing organic solvent, resulting in the conversion of the planar [Ni{sub 2}(CN){sub 4}]{sub n} networks into polycrystalline three-dimensional porous frameworks containing the organic pillar ligand. Preliminary investigations indicate that the HIPL reaction is also amenable to forming Co(L)Ni(CN){sub 4}, Fe(L)Ni(CN){sub 4}, and Fe(L)Pd(CN){sub 4} networks. The materials show variable adsorption behavior for CO{sub 2} depending on the pillar length and pillar functionalization. Several compounds show structurally flexible behavior during the adsorption and desorption of CO{sub 2}. Interestingly, the newly discovered flexible compounds include two flexible Fe(L)Ni(CN){sub 4} derivatives that are structurally related to previously reported porous spin-crossover compounds. The preparations of 20 pillar ligands based on ring-functionalized 4,4?-dipyridyls, 1,4-bis(4- pyridyl)benzenes, and N-(4-pyridyl)isonicotinamides are also described.

  5. Explorations of TALSPEAK chemistry in extraction chromatography: Comparisons of TTHA with DTPA and HDEHP with HEH[EHP

    SciTech Connect (OSTI)

    Braley, Jenifer C.; McAlister, Daniel; Horwitz, E. P.; Nash, Kenneth L.

    2013-03-01

    An advanced nuclear fuel cycle includes a reprocessing stage for the group separation of the lanthanides from the trivalent actinides. The TALSPEAK (Trivalent Actinide - Lanthanide Separation by Phosphorus reagent Extraction from Aqueous Komplexes) solvent extraction process provides the An3+/Ln3+ separation through the use of an organic lanthanide extractant (bis-2-ethyl(hexyl) phosphoric acid, HDEHP) and an aqueous actinide-selective holdback reagent (diethylenetriamine-N,N,N’,N’’,N’’-pentaacetic acid, DTPA). Organic phase interactions in TALSPEAK have proven sufficiently complex that, even with substantial research effort, a descriptive thermodynamic model has yet to be developed. If one were to consider an extraction chromatographic (EXC) version of TALSPEAK, the presence of concentrated extractant on the resin surface should augment the multifaceted organic phase chemistry. This study examines the previously unexplored impact of each aqueous phase TALSPEAK component (holdback reagent, carboxylic acid buffer, and pH) on the chemistry of the EXC system. The presence of alternative reagents, 2-ethyl(hexyl) phosphonic acid mono-2-ethyl(hexyl) ester acid (HEH[EHP]) and triethylenetetramine-N,N,N’,N’’,N’’’,N’’’-hexaacetic acid (TTHA) are also considered. Results indicate the concentrated extractant appears to enhance solid-phase reactions that most likely involve water, lactate and sodium. The presumed water, lactate and sodium partitioning consumes resin capacity sufficiently that the weaker hold-back reagent under TALSPEAK aqueous conditions (pH ~ 3.6), TTHA, provides preferential Am3+/Ln3+ separations performance. If a TALSPEAK-EXC process were to be developed, a resin with solvent diluted extractant or covalently bound functional groups may be preferential to reduce the complexity of the solid-phase chemistry.

  6. JOURNAL OF MATERIALS SCIENCE 2012, IN PRESS DOI: 10.1007/S10853-012-6927-8 Viscoelastic properties of hollow glass particle filled vinyl ester matrix syntactic foams: effect of temperature and loading

    E-Print Network [OSTI]

    Gupta, Nikhil

    to generate master curves for storage modulus over a wide frequency range. The room temperature storage vibration response, high temperature mechanical properties, and energy absorption capabilities. Dynamic]. The storage modulus provides a measure of energy stored in the material while loss modulus refers

  7. Synthesis of N-formyl-3,4-di-t-butoxycarbonyloxy-6-(trimethylstannyl)-L-phenylalanine ethyl ester and its regioselective radiofluorodestannylation to 6- .sup.18 F!fluoro-1-dopa

    DOE Patents [OSTI]

    Satyamurthy, Nagichettiar (Los Angeles, CA); Barrio, Jorge R. (Agoura Hills, CA); Bishop, Allyson J. (Wahnemuhle, DE); Namavari, Mohammad (Los Angeles, CA); Bida, Gerald T. (Shreveport, LA)

    1996-01-01

    A process for forming a 6-fluoro derivative of compounds in the L-Dopa family comprising the steps of protecting the groups attached to the benzene ring in the compound followed by serially reacting the protected compound with (a) iodine and silver trifluoroacetic acid; (b) Bb.sub.3 ; (c) dit-butyldicarbonate; (d) hexamethyltin; (e) a fluoro compound; (f) hydrobromic acid; and (g) raising the pH to .ltoreq.7.

  8. N-(N-[2-(3,5-Difluorophenyl)acetyl]-(S)-alanyl)-(S)-phenylglycine tert-butyl ester (DAPT): an inhibitor of ?-secretase, revealing fine electronic and hydrogen-bonding features

    SciTech Connect (OSTI)

    Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew

    2010-12-01

    The title compound, C{sub 23}H{sub 26}F{sub 2}N{sub 2}O{sub 4}, is a dipeptidic inhibitor of ?-secretase, one of the enzymes involved in Alzheimer’s dis@@ease. The mol@@ecule adopts a compact conformation, without intra@@molecular hydrogen bonds. In the crystal structure, one of the amide N atoms forms the only inter@@molecular N—H?O hydrogen bond; the second amide N atom does not form hydrogen bonds. High-resolution synchrotron diffraction data permitted the unequivocal location and refinement without restraints of all H atoms, and the identification of the characteristic shift of the amide H atom engaged in the hydrogen bond from its ideal position, resulting in a more linear hydrogen bond. Significant residual densities for bonding electrons were revealed after the usual SHELXL refinement, and modeling of these features as additional inter@@atomic scatterers (IAS) using the program PHENIX led to a significant decrease in the R factor from 0.0411 to 0.0325 and diminished the r.m.s. deviation level of noise in the final difference Fourier map from 0.063 to 0.037 e Å{sup ?3}.

  9. Synthesis of N-formyl-3,4-di-t-butoxycarbonyloxy-6(trimethylstannyl)-L-phenylalanine ethyl ester and its regioselective radiofluorodestannylation to 6-[{sup 18}F]fluoro-1-dopa

    DOE Patents [OSTI]

    Satyamurthy, N.; Barrio, J.R.; Bishop, A.J.; Namavari, M.; Bida, G.T.

    1996-04-23

    A process is revealed for forming a 6-fluoro derivative of compounds in the L-Dopa family comprising the steps of protecting the groups attached to the benzene ring in the compound followed by serially reacting the protected compound with (a) iodine and silver trifluoroacetic acid; (b) Bb{sub 3}; (c) dit-butyldicarbonate; (d) hexamethyltin; (e) a fluoro compound; (f) hydrobromic acid; and (g) raising the pH to {<=}7. 1 fig.

  10. Synthesis of the Tricyclic Core of Guanacastepene A, Decarboxylative Rearrangement of Allenylic N-Tosyl Carbamates and Phosphine-catalyzed Intramolecular ?-Umpolung Addition of ?-Aminoalkylallenic Esters, and the Enantioselective Total Synthesis of (+)-Ibophyllidine

    E-Print Network [OSTI]

    Andrews, Ian Paul

    2012-01-01

    142 with palladium on carbon and hydrogen gas in acetic acidpalladium on carbon in acetic acid under one atmosphere of hydrogen

  11. Synthesis of the Tricyclic Core of Guanacastepene A, Decarboxylative Rearrangement of Allenylic N-Tosyl Carbamates and Phosphine-catalyzed Intramolecular ?-Umpolung Addition of ?-Aminoalkylallenic Esters, and the Enantioselective Total Synthesis of (+)-Ibophyllidine

    E-Print Network [OSTI]

    Andrews, Ian Paul

    2012-01-01

    4-n-pentyl-1,2-butadiene-4-ol (105d). Isolated in 56% yield.4-isopropyl-1,2-butadiene-4-ol (105e). Isolated in 57%4-cyclopropyl-1,2-butadiene-4-ol (105f). Isolated in 65%

  12. Constructing and engineering fatty acid metabolic pathways for the production of fuels and chemicals

    E-Print Network [OSTI]

    Steen, Eric James

    2010-01-01

    Russell, D. W. Mammalian wax biosynthesis. I. IdentificationACB1 5.3.5. Expressing the wax ester synthase, atfA 5.3.6.A. AAC45217 calcoaceticus atfA, wax ester synthase A. baylyi

  13. The Role of the Tear-Film Lipid Layer in Tear Dynamics and in Dry Eye

    E-Print Network [OSTI]

    Cerretani, Colin

    2013-01-01

    197-212. Fox RC. An Oil-Wax-Surfactant System for Retardingand meibum. Very long chain wax esters and (O-acyl)-omega-and meibum. Very long chain wax esters and (o-acyl)-omega-

  14. Baeyer-Villiger Oxidation over Sn(IV) Phosphonates 

    E-Print Network [OSTI]

    Samarajeeewa, Sandani

    2008-08-19

    Baeyer-Villiger (BV) oxidations are used to convert ketones and aldehydes to esters and phenols. These ester and phenols are useful building blocks in designing more complex organic materials in pharmaceutical chemistry. ...

  15. Atmos. Chem. Phys., 8, 73677371, 2008 www.atmos-chem-phys.net/8/7367/2008/

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    and Physics Emission of sunscreen salicylic esters from desert vegetation and their contribution to aerosol the contribution of the sunscreen esters themselves and their oxidation products on the SOA formation for the Las

  16. 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

  17. Characterization of Biodiesel Oxidation and Oxidation Products

    SciTech Connect (OSTI)

    Not Available

    2005-08-01

    Features a literature review of 130 technical references pertaining to fatty oil and fatty ester stability chemistry in biodiesel fuels.

  18. Anti-cancer agents based on N-acyl-2, 3-dihydro-1H-pyrrolo[2,3-b] quinoline derivatives and a method of making

    DOE Patents [OSTI]

    Gakh, Andrei; Krasavin, Mikhail; Karapetian, Ruben; Rufanov, Konstantin A; Konstantinov, Igor; Godovykh, Elena; Soldatkina, Olga; Sosnov, Andrey V

    2013-04-16

    The present disclosure relates to novel compounds that can be used as anti-cancer agents in the prostate cancer therapy. In particular, the invention relates to N-acyl derivatives of 2,3-dihydro-1H-pyrrolo[2,3-b]quinolines having the structural Formula (I), ##STR00001## stereoisomers, tautomers, racemics, prodrugs, metabolites thereof, or pharmaceutically acceptable salt and/or solvate thereof. The meaning of R1 is independently selected from H; C1-C6 Alkyl, cyclo-Alkyl or iso-Alkyl substituents; R2 is selected from C1-C6 Alkyl, cyclo-Alkyl or iso-Alkyl; substituted or non-substituted, fused or non-fused to substituted or non-substituted aromatic ring, aryl or heteroaryl groups. The invention also relates to methods for preparing said compounds, and to pharmaceutical compositions comprising said compounds.

  19. 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

  20. U.S. Department of Energy Pacific Northwest National

    E-Print Network [OSTI]

    the direct detection, in the raw oil, of a suite of free sterols and stanols, together with fatty acid are ferulate and fatty acid sterol and stanol esters. Coumarate esters are found to be trace components of ferulate over coumarate esters (ratio > 7:1). Major product groupings are shown above: (i), free fatty acid

  1. Structure and Reactivity of Zeolite- and Carbon-Supported Catalysts for the Oxidative Carbonylation of Alcohols

    E-Print Network [OSTI]

    Briggs, Daniel Neal

    2010-01-01

    can also function as eco-friendly alternatives to phosgenequantities of HCl. A more eco-friendly process to make alkyl

  2. THE CHEMISTRY OF COAL MODEL COMPOUNDS -CLEAVAGE OF ALIPHATIC BRIDGES BETWEEN AROMATIC NUCLEI CATALYSED BY LEWIS ACIDS

    E-Print Network [OSTI]

    Taylor, Newell D.

    2011-01-01

    alkylation, acylation, and hydrocracking reactions. A briefwas necessary for coal hydrocracking, but that added HCl didlost to a combination of hydrocracking during reaction and

  3. Light, Molecules, Action: Toward Cobalamin (Vitamin B12) Compounds...

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

    as a source for controlled release of reactive radicals including alkyl radicals and hydroxyl radicals. Here we will present time-resolved spectroscopic measurements of a variety...

  4. Separation of gases through gas enrichment membrane composites

    DOE Patents [OSTI]

    Swedo, Raymond J. (Mt. Prospect, IL); Kurek, Paul R. (Schaumburg, IL)

    1988-01-01

    Thin film composite membranes having as a permselective layer a film of a homopolymer of certain vinyl alkyl ethers are useful in the separation of various gases. Such homopolymers have a molecular weight of greater than 30,000 and the alkyl group of the vinyl alkyl monomer has from 4 to 20 carbon atoms with branching within the alkyl moiety at least at the carbon atom bonded to the ether oxygen or at the next adjacent carbon atom. These membranes show excellent hydrolytic stability, especially in the presence of acidic or basic gaseous components.

  5. Separation of gases through gas enrichment membrane composites

    DOE Patents [OSTI]

    Swedo, R.J.; Kurek, P.R.

    1988-07-19

    Thin film composite membranes having as a permselective layer a film of a homopolymer of certain vinyl alkyl ethers are useful in the separation of various gases. Such homopolymers have a molecular weight of greater than 30,000 and the alkyl group of the vinyl alkyl monomer has from 4 to 20 carbon atoms with branching within the alkyl moiety at least at the carbon atom bonded to the ether oxygen or at the next adjacent carbon atom. These membranes show excellent hydrolytic stability, especially in the presence of acidic or basic gaseous components.

  6. MIT-Harvard Center for Excitonics

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

    Mihaela C. Stefan University of Texas at Dallas MStefan1000 abstract: Semiconducting polymers containing benzodithiophene with alkyl phenylethynyl substituents have been...

  7. SYNTHESIS AND PROPERTIES OF URANYL MONOTHIOCARBAMATE ALKOXIDES, AN AIR-STABLE CLASS OF URANYL ALKOXIDES

    E-Print Network [OSTI]

    Perry, Dale L.

    2013-01-01

    The intensity of the asymmetric uranyl band in the presentso great as it is in mono~ uranyl compounds, the intensitycoordinating group in the uranyl rnonothiocarbamate alkoxi

  8. The Cost of Smoking in California, 1999

    E-Print Network [OSTI]

    Max, Wendy Ph.D.; Rice, Dorothy P. D.Sc.; Zhang, Xiulan Ph.D.; Sung, Hai-Yen Ph.D.; Miller, Leonard Ph.D.

    2002-01-01

    180 Tulare………………………………182 Tuolumne…………………………….184Inyo, Kern, Kings, Mono, Tulare Region 13 Region 12 Region 9Sutter Tehama Trinity Tulare Tuolumne Ventura Yolo Yuba

  9. Hydrothermal Regime of the Southwest Moat of the Long Valley...

    Open Energy Info (EERE)

    Mono County, California, and Its Relation to Seismicity--New Evidence from the Shady Rest Borehole (RD08). In: Transactions. GRC Annual Meeting; 1987; Sparks, NV. Sparks, NV:...

  10. Kinetics of the Hydrolysis of Atmospherically Relevant

    E-Print Network [OSTI]

    Elrod, Matthew J.

    -derived monoepoxides and mono- and diepoxides derived from 1,3-butadiene (a well-known reaction in which an epoxide

  11. A Transient Model of the Geothermal System of the Long Valley...

    Open Energy Info (EERE)

    beneath the resurgent dome. Whether the high temperatures in the current geothermal system reflect cooling of magma associated with MonoInyo craters or merely fracturing and...

  12. Burrill: Ishi: America's Last Stoneage Indian

    E-Print Network [OSTI]

    Ritter, Eric W.

    1990-01-01

    mono- IshL America's Last Stoneage Indian. Richard BurriU.Now, m Ishi: America's Last Stoneage Indian, we have another

  13. Experimental studies on remanence acquisition processes and regional geomagnetic field variability from archeointensity studies

    E-Print Network [OSTI]

    Mitra, Ritayan

    2012-01-01

    Senegal and Mali . . . . . . . . . . . . . . 94 Latitudinalin the Region of Jenn´e, Mali. , volume 2 of Camb. Mono.Inland Niger Delta, Mali), the 1981 Season. University of

  14. Electrochemistry, Spectroscopy, and Reactivity of Uranium Complexes Supported by Ferrocene Diamide Ligands

    E-Print Network [OSTI]

    Duhovic, Selma

    2012-01-01

    Mono)pentamethylcyclopentadienyl Lutetium Complexes. Chem.with Yttrium and Lutetium Benzyl Complexes Supported by aHydrogen Activation by Lutetium-Methyl and Lutetium- Hydride

  15. Structure-function relationships in dendrimer-encapsulated metal nanoparticles 

    E-Print Network [OSTI]

    Wilson, Orla Mary

    2006-04-12

    The synthesis, characterization and structure-function relationships of mono- and bimetallic dendrimerencapsulated nanoparticles (DENs) are described. Control over the factors influencing the structure of bimetallic DENs ...

  16. Volcanism, Structure, and Geochronology of Long Valley Caldera...

    Open Energy Info (EERE)

    Volcanism, Structure, and Geochronology of Long Valley Caldera, Mono County, California Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article:...

  17. Theoretical studies of the dynamics of chemical reactions

    SciTech Connect (OSTI)

    Wagner, A.F. [Argonne National Laboratory, IL (United States)

    1993-12-01

    Recent research effort has focussed on several reactions pertinent to combustion. The formation of the formyl radical from atomic hydrogen and carbon monoxide, recombination of alkyl radicals and halo-alkyl radicals with halogen atoms, and the thermal dissociation of hydrogen cyanide and acetylene have been studied by modeling. In addition, the inelastic collisions of NCO with helium have been investigated.

  18. Expanding the scope of the nucleophile catalyzed aldol lactonization (NCALl) process and transformations of the resulting beta-lactones 

    E-Print Network [OSTI]

    Matla, Andrea Slava

    2009-05-15

    to the ?-carbon. As such, if one carefully engineers the reagent, hard nucleophiles will lead to acylation while soft nucelophiles will lead to alkylation (Figure 4). R1 OH Nuc R2 O O O R2R1 Nuc: Nuc: R1 Nuc OH R2 O acylC-O cleavage (hard nucleophiles) alkyl...

  19. N-Heterocyclic Carbene Metal Complexes: Synthesis, Kinetics, Reactivity, and Recycling With Polymers 

    E-Print Network [OSTI]

    Su, Haw-Lih

    2012-10-19

    microwave n normal (unbranched alkyl chain) NHC N-heterocyclic carbene NMR nuclear magnetic resonance p para Ph phenyl PIB polyisobutylene PE polyethylene Pd palladium Ph phenyl phen 9.10-phenathroline PTSA p-toluenesulfonic acid R alkyl RCM... ............................ 9 Supported NHC Ligated Complexes .............................................. 23 II PIB-SUPPORTED NHC-PALLADIUM(II) CATALYSTS ................ 31 Introduction...

  20. Compositions for labeling .beta.-amyloid plaques and neurofibrillary tangles

    DOE Patents [OSTI]

    Barrio, Jorge R. (Agoura Hills, CA); Petric, Andrej (Ljubljana, SI); Satyamurthy, Nagichettiar (Los Angeles, CA); Small, Gary W. (Los Angeles, CA); Cole, Gregory M. (Santa Monica, CA); Huang, Sung-Cheng (Sherman Oaks, CA)

    2008-03-11

    Compositions useful for labeling .beta.-amyloid plaques and neurofibrillary tangles are provided. The compositions comprises compounds of formula (I): ##STR00001## wherein R.sub.1 is selected from the group consisting of --C(O)-alkyl, --C(O)-alkylenyl-R.sub.4, --C(O)O-alkyl, --C(O)O-alkylenyl-R.sub.4, --C.dbd.C(CN).sub.2-alkyl, --C.dbd.C(CN).sub.2-alkylenyl-R.sub.4, ##STR00002## wherein R.sub.4 is a radical selected from the group consisting of alkyl, substituted alkyl, aryl and substituted aryl; R.sub.5 is a radical selected from the group consisting of --NH.sub.2, --OH, --SH, --NH-alkyl, --NHR.sub.4, --NH-alkylenyl-R.sub.4, --O-alkyl, --O-alkylenyl-R.sub.4, --S-alkyl, and --S-alkylenyl-R.sub.4; R.sub.6 is a radical selected from the group consisting of --CN, --COOH, --C(O)O-alkyl, --C(O)O-alkylenyl-R.sub.4, --C(O)-alkyl, --C(O)-alkylenyl-R.sub.4, --C(O)-halogen, --C(O)NH-alkyl, --C(O)NH-alkylenyl-R.sub.4 and --C(O)NH.sub.2; R.sub.7 is a radical selected from the group consisting of O, NH, and S; and R.sub.8 is N, O or S; and R.sub.2 is selected from the group consisting of alkyl and alkylenyl-R.sub.10 and R.sub.3 is alkylenyl-R.sub.10, wherein R.sub.10 is selected from the group consisting of --OH, --OTs, halogen, spiperone, spiperone ketal, and spiperone-3-yl, or R.sub.2 and R.sub.3 together form a heterocyclic ring, optionally substituted with at least one radical selected from the group consisting of alkyl, alkoxy, OH, OTs, halogen, alkyl-R.sub.10, carbonyl, spiperone, spiperone ketal and spiperone-3-yl, and further wherein one or more of the hydrogen, halogen or carbon atoms are optionally replaced with a radiolabel.

  1. Final Technical Report "Catalytic Hydrogenation of Carbon Monoxide and Olefin Oxidation" Grant number : DE-FG02-86ER13615

    SciTech Connect (OSTI)

    Wayland, B.B.

    2009-08-31

    Title: Catalytic Hydrogenation of Carbon Monoxide and Olefin Oxidation Grant No. DE-FG02-86ER13615 PI: Wayland, B. B. (wayland@sas.upenn.edu) Abstract Development of new mechanistic strategies and catalyst materials for activation of CO, H2, CH4, C2H4, O2, and related substrates relevant to the conversion of carbon monoxide, alkanes, and alkenes to organic oxygenates are central objectives encompassed by this program. Design and synthesis of metal complexes that manifest reactivity patterns associated with potential pathways for the hydrogenation of carbon monoxide through metallo-formyl (M-CHO), dimetal ketone (M-C(O)-M), and dimetal dionyl (M-C(O)-C(O)-M) species is one major focus. Hydrocarbon oxidation using molecular oxygen is a central goal for methane activation and functionalization as well as regioselective oxidation of olefins. Discovery of new reactivity patterns and control of selectivity are pursued through designing new metal complexes and adjusting reaction conditions. Variation of reaction media promotes distinct reaction pathways that control both reaction rates and selectivities. Dimetalloradical diporphyrin complexes preorganize transition states for substrate reactions that involve two metal centers and manifest large rate increases over mono-metalloradical reactions of hydrogen, methane, and other small molecule substrates. Another broad goal and recurring theme of this program is to contribute to the thermodynamic database for a wide scope of organo-metal transformations in a range of reaction media. One of the most complete descriptions of equilibrium thermodynamics for organometallic reactions in water and methanol is emerging from the study of rhodium porphyrin substrate reactions in aqueous and alcoholic media. Water soluble group nine metalloporphyrins manifest remarkably versatile substrate reactivity in aqueous and alcoholic media which includes producing rhodium formyl (Rh-CHO) and hydroxy methyl (Rh-CH2OH) species. Exploratory directions for this program include expending new strategies for anti-Markovnikov addition of water, alcohols, and amines with olefins, developing catalytic reactions of CO to give formamides and formic esters, and evaluating the potential for coupling reactions of CO to produce organic building blocks.

  2. Evaluation of Microbial Communities from Extreme Environments as Inocula in a Carboxylate Platform for Biofuel Production from Cellulosic Biomass 

    E-Print Network [OSTI]

    Cope, Julia Lee

    2013-08-06

    /6/2009 FRN Fly Ranch - Private NV 5 Geothermal springs 8/6/2009 CBHS Buckeye Hot Spring - Inyo National Forest CA 4 Hot spring 8/6/2009 MLNB Mono Lake Navy Beach - State Natural Reserve CA 5 Saline and alkaline lake 8/6/2009 MLIS Mono Lake Island Hot...

  3. Optimization of esterification of oleic acid and trimethylolpropane (TMP) and pentaerythritol (PE)

    SciTech Connect (OSTI)

    Mahmud, Hamizah Ammarah; Salimon, Jumat

    2014-09-03

    Vegetable oil (VO) is the most potential alternative to replace mineral oil for lubricant due to better lubricating properties and great physicochemical properties. Chemical modification has to be done to overcome low temperature performance and low oxidation instability due to the presence of ?-hydrogen atoms of glycerol molecule. The optimization of esterification of oleic acid and polyhydric alcohol with sulfuric acid catalyst was carried out to find the optimum conditions with the highest yield. Reeaction variables such as; molar ratio, temperature, duration and catalyst concentration. Two types of polyhydric alcohol have been used; TMP and PE. The optimum results showed oleic acid successfully converted 91.2% ester TMP and 92.7% ester PE at duration: 5 hours (Ester TMP), 6 hours (Ester PE); temperature: 150°C (ester TMP), 180°C (Ester PE); catalyst concentration: 1.5% (w/w); and mol ratio: 3.9:1 (ester TMP), 4.9:1 (ester PE). From the data obtained, mole ratio showed most influenced factors to the increasing yields of ester conversions.. The TMP/PE ester was confirmed using gas chromatography (GC-FID), Fourier Transform Infrared Spectroscopy (FTIR) and Nuclear Magnetic Resonance (NMR)

  4. Methods for labeling .beta.-amyloid plaques and neurofibrillary tangles

    DOE Patents [OSTI]

    Barrio, Jorge R.; Petric, Andrej; Satyamurthy, Nagichettiar; Small, Gary W.; Cole, Gregory M.; Huang, Sung-Cheng

    2003-12-09

    A method for labeling .beta.-amyloid plaques and neurofibrillary tangles in vivo and in vitro, comprises contacting a compound of formula (I): ##STR1## with mammalian tissue. In formula (I), R.sub.1 is selected from the group consisting of --C(O)-alkyl, --C(O)-alkylenyl-R.sub.4, --C(O)O-alkyl, --C(O)O-alkylenyl-R.sub.4, --C.dbd.C(CN).sub.2 -alkyl, --C.dbd.C(CN).sub.2 -alkylenyl-R.sub.4, ##STR2## R.sub.4 is a radical selected from the group consisting of alkyl, substituted alkyl, aryl and substituted aryl; R.sub.5 is a radical selected from the group consisting of --NH.sub.2, --OH, --SH, --NH-alkyl, --NHR.sub.4, --NH-alkylenyl-R.sub.4, --O-alkyl, --O-alkylenyl-R.sub.4, --S-alkyl, and --S-alkylenyl-R.sub.4 ; R.sub.6 is a radical selected from the group consisting of --CN, --COOH, --C(O)O-alkyl, --C(O)O-alkylenyl-R.sub.4, --C(O)-alkyl, --C(O)-alkylenyl-R.sub.4, --C(O)-halogen, --C(O)NH, --C(O)NH-alkyl, --C(O)NH-alkylenyl-R.sub.4 ; R.sub.7 is a radical selected from the group consisting of O, NH, and S; and R.sub.8 is N, O or S. R.sub.2 and R.sub.3 are each independently selected from the group consisting of alkyl and alkylenyl-R.sub.10, wherein R.sub.10 is selected from the group consisting of --OH, --OTs, halogen, spiperone, spiperone ketal and spiperone-3-yl. Alternatively, R.sub.2 and R.sub.3 together form a heterocyclic ring, optionally substituted with at least one radical selected from the group consisting of alkyl, alkoxy, OH, OTs, halogen, alkylenyl-R.sub.10, carbonyl, spiperone, spiperone ketal and spiperone-3-yl. In the compounds of formula (I), one or more of the hydrogen, halogen or carbon atoms can, optionally, be replaced with a radiolabel.

  5. Methods for labeling .beta.-amyloid plaques and neurofibrillary tangles

    DOE Patents [OSTI]

    Barrio, Jorge R. (Agoura Hills, CA); Petric, Andrej (Ljubljana, SI); Satyamurthy, Nagichettiar (Los Angeles, CA); Small, Gary W. (Los Angeles, CA); Cole, Gregory M. (Santa Monica, CA); Huang, Sung-Cheng (Sherman Oaks, CA)

    2001-01-01

    A method for labeling .beta.-amyloid plaques and neurofibrillary tangles in vivo and in vitro, comprises contacting a compound of formula (I): ##STR1## with mammalian tissue. In formula (I), R.sub.1 is selected from the group consisting of --C(O)-alkyl, --C(O)-alkylenyl-R.sub.4, --C(O)O-alkyl, --C(O)O-alkylenyl-R.sub.4, --C.dbd.C(CN).sub.2 -alkyl, --C.dbd.C(CN).sub.2 -alkylenyl-R.sub.4 , ##STR2## R.sub.4 is a radical selected from the group consisting of alkyl, substituted alkyl, aryl and substituted aryl; R.sub.5, is a radical selected from the group consisting of --NH.sub.2, --OH, --SH, --NH-alkyl, --NHR.sub.4, --NH-alkylenyl-R.sub.4, --O-alkyl, --O-alkylenyl-R.sub.4, --S-alkyl, and --S-alkylenyl-R.sub.4 ; R.sub.6 is a radical selected from the group consisting of --CN, --COOH, --C(O)O-alkyl, --C(O)O-alkylenyl-R.sub.4, --C(O)-alkyl, --C(O)-alkylenyl-R.sub.4, --C(O)-halogen, --C(O)NH , --C(O)NH-alkyl, --C(O)NH-alkylenyl-R.sub.4 ; R.sub.7 is a radical selected from the group consisting of O, NH, and S; and R.sub.8 is N, O or S. R.sub.2 and R.sub.3 are each independently selected from the group consisting of alkyl and alkylenyl-R.sub.10, wherein R.sub.10 is selected from the group consisting of --OH, --OTs, halogen, spiperone, spiperone ketal and spiperone-3-yl. Alternatively, R.sub.2 and R.sub.3 together form a heterocyclic ring, optionally substituted with at least one radical selected from the group consisting of alkyl, alkoxy, OH, OTs, halogen, alkylenyl-R.sub.10, carbonyl, spiperone, spiperone ketal and spiperone-3-yl. In the compounds of formula (I), one or more of the hydrogen, halogen or carbon atoms can, optionally, be replaced with a radiolabel.

  6. on Th Phng Thy Doctoral Thesis

    E-Print Network [OSTI]

    and bacteria Figure 3: Example structures of fatty alcohol (a), wax ester (b), ether phospholipid (c) #12;18 2 and wax ester biosynthesis in plants and bacteria 3.1 Enzymes in de novo biosynthesis of fatty acids-CoA (ricinoleoyl-CoA) #12;40 #12;41 3.3 Enzymes in biosynthesis of wax esters #12;42 #12;43 4 Fatty alcohols

  7. Functionalized polyfluorenes for use in optoelectronic devices

    DOE Patents [OSTI]

    Chichak, Kelly Scott (Clifton Park, NY); Lewis, Larry Neil (Scotia, NY); Cella, James Anthony (Clifton Park, NY); Shiang, Joseph John (Niskayuna, NY)

    2011-11-08

    The present invention relates to process comprising reacting a polyfluorenes comprising at least one structural group of formula I ##STR00001## with an iridium (III) compound of formula II ##STR00002## wherein R.sup.1 and R.sup.2 are independently alkyl, substituted alkyl, aryl, substituted aryl or a combination thereof; R.sup.5is H or CHO; R.sup.3 and R.sup.4 are independently hydrogen, alkyl, substituted alkyl, aryl, substituted aryl or a combination thereof; R.sup.11 and R.sup.12 taken together form a substituted or unsubstituted monocyclic or bicyclic heteroaromatic ring; R.sup.13 is independently at each occurrence halo, nitro, hydroxy, amino, alkyl, aryl, arylalkyl, alkoxy, substituted alkoxy, substituted alkyl, substituted aryl, or substituted arylalkyl; Ar is aryl, heteroaryl, substituted aryl, substituted heteroaryl, or a combination thereof; X is selected from a direct bond, alky, substituted alkyl, and combinations thereof; Y is CHO or NH.sub.2; Z is CHO or NH.sub.2 where Z does not equal Y; and p is 0, 1 or 2. The invention also relates to the polyfluorenes, which are products of the reaction, and the use of the polyfluorenes in optoelectronic devices.

  8. Lewis acid–base interactions enhance explosives sensing in silacycle polymers

    E-Print Network [OSTI]

    Sanchez, Jason C.; DiPasquale, Antonio G.; Mrse, Anthony A.; Trogler, William C.

    2009-01-01

    explosives—HMX, RDX, and PETN, have higher lying excitedlow volatility, such as RDX and PETN. Trace detection ofand nitrate esters (PETN) [7–10]. The relative sensitivity

  9. Mechanistic Insights into the Diverged Enzymes of the Amidohydrolase Superfamily 

    E-Print Network [OSTI]

    Nguyen, Tinh T.

    2011-02-22

    The amidohydrolase superfamily is a functionally diverse set of enzymes that catalyzes predominantly hydrolysis reactions involving sugars, nucleic acids, amino acids, and organophosphate esters. A more divergent member ...

  10. Structural Interactions within Lithium Salt Solvates: Acyclic...

    Office of Scientific and Technical Information (OSTI)

    Structural Interactions within Lithium Salt Solvates: Acyclic Carbonates and Esters Citation Details In-Document Search Title: Structural Interactions within Lithium Salt Solvates:...

  11. EXPLORATION AND DEVELOPMENT OF INDIUM-MEDIATED REACTIONS: SYNTHESIS OF DICHLOROINDIUM HYDRIDE, BORANE, AND THEIR APPLICATION TO VARIOUS REDUCTIONS

    E-Print Network [OSTI]

    Saavedra, Jaime Zendejas

    2012-01-01

    groups such as hydroxyl or amine suggests a reactiongroups such as hydroxyl or amine suggests a reactionamines in the presence of functionalities like esters, hydroxyls,

  12. 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;...

  13. "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;...

  14. 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...

  15. Structural Interactions within Lithium Salt Solvates: Cyclic...

    Office of Scientific and Technical Information (OSTI)

    and ester solvents coordinate Li+ cations in electrolyte solutions for lithium batteries. One approach to gleaning significant insight into these interactions is to examine...

  16. 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,

  17. 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.

  18. Genomic Prospecting for Microbial Biodiesel Production

    E-Print Network [OSTI]

    Lykidis, Athanasios

    2008-01-01

    and Kato, N. (2002) Wax ester production from n-alkanes bycoli engineered for fuel production. Microbiology 152: 2529-Increased fatty acid production in potato by engineering of

  19. Peroxide-forming Chemicals http://www.ehs.ufl.edu/Lab/perxlist.htm[06/13/12 11:56:03 AM

    E-Print Network [OSTI]

    Slatton, Clint

    (acetal) Acrolein Butadiene Acrylamide Chloroprene (2-chloro-1,3-butadiene) Acrylic acid Cumene All Diacetylene (butadiene) Allyl esters Dicyclopentadiene Allyl sulfide Diethyl ether (ether) Butadiene

  20. Alterations in the expression of the apurinic/apyrimidinic endonuclease-1/redox factor-1 (APE/Ref-1) in human melanoma and identification of the therapeutic potential of resveratrol as an APE/Ref-1 inhibitor.

    E-Print Network [OSTI]

    Yang, Sun; Irani, Kaikobad; Heffron, Susan E; Jurnak, Frances; Meyskens, Frank L Jr

    2005-01-01

    changes induced by resveratrol in human melanoma. MolN, Dannenberg AJ. Resveratrol inhibits cyclooxygenase-2S, Pezzuto JM, Kong AN. Resveratrol inhibits phorbol ester

  1. Low pour crude oil compositions

    SciTech Connect (OSTI)

    Motz, K.L.; Latham, R.A.; Statz, R.J.

    1990-05-22

    This patent describes and improvement in the process of transporting waxy crude oils through a pipeline. It comprises: incorporating into the crude oil an effective pour point depressant amount of an additive comprising a polymer selected from the group consisting of copolymers of ethylene and acrylonitrile, and terpolymers of ethylene, acrylonitrile and a third monomer selected from the group consisting of vinyl acetate, carbon monoxide, alkyl acrylates, alkyl methacrylates, alkyl vinyl ethers, vinyl chloride, vinyl fluoride, acrylic acid, and methacrylic acid, wherein the amount of third monomer in the terpolymer ranges from about 0.1 to about 10.0 percent by weight.

  2. 2015 Organic Seminar Series ~Sponsored in part by Organic Synthesis, Inc~

    E-Print Network [OSTI]

    Lawson, Catherine L.

    a unique alternate pathway to tetrasubstituted propargylamines. In addition, green solvent-free conditions provide one-step syntheses of alkyl- and pyridyl-substituted quinolines. ~Coffee/tea will be served prior

  3. An Approach to the Imine Ring System of Pinnatoxins

    E-Print Network [OSTI]

    Zakarian, Armen

    for the preparation of lactone 5 (Scheme 3).9 Addition of 4-pentenylmagnesium bromide proceeded with 8 by oxidation of the lactol afforded 5. Alkylation of the zinc- ate enolate generated from the lactone

  4. Cycloaddition reactions of hydrofullerenes with cyano-substituted alkenes under basic conditions

    E-Print Network [OSTI]

    Wang, Guan-Wu

    reactions of C60 2À , all electrophiles used are alkyl bromides or iodides. In this paper, we wish to report,13 or by reduction with zinc in the presence of water.14 We wondered whether the reaction

  5. Progress in nucleophilic catalysis and development of nickel-catalyzed cross-couplings of propargylic halides

    E-Print Network [OSTI]

    Smith, Sean W. (Sean Wesley)

    2009-01-01

    Chapter 1 describes the development of two organocatalytic processes. The first is a 13-alkylation reaction of Michael acceptors, and represents a novel umpolung process catalyzed by N-heterocyclic carbenes. The second ...

  6. Polymers for electronics and chemical sensing applications

    E-Print Network [OSTI]

    Amara, John Paul

    2006-01-01

    The incorporation of molecular structures such as shape persistent molecular frameworks, strong hydrogen bond donor groups or perfluoro-alkyl groups can result in considerable gains in the performance of some established ...

  7. Supercritical Water desulfurization of crude oil

    E-Print Network [OSTI]

    Kida, Yuko

    2014-01-01

    Supercritical Water (SCW) desulfurization was investigated for both model sulfur compounds and Arab Heavy crude. In part 1, the reactions of alkyl sulfides in SCW were studied. During hexyl sulfide decomposition in SCW, ...

  8. Lead distribution in near-surface soils of two Florida cities: Gainesville and Miami

    E-Print Network [OSTI]

    Ma, Lena

    , arithmetic mean; GM, geometric mean; GSD, geometric standard deviation; OC, organic carbon; SCTL, soil clean, and the widespread past use of alkyl-lead compounds as antiknock addi- tives in gasoline, and Pb-based paint

  9. Nickel-Catalyzed Enantioselective Cross-Couplings of Racemic Secondary Electrophiles That Bear an Oxygen Leaving Group

    E-Print Network [OSTI]

    Oelke, Alexander J.

    To date, effective nickel-catalyzed enantioselective cross-couplings of alkyl electrophiles that bear oxygen leaving groups have been limited to reactions of allylic alcohol derivatives with Grignard reagents. In this ...

  10. Palladium-Catalyzed N-Monoarylation of Amidines and a One-Pot Synthesis of Quinazoline Derivatives

    E-Print Network [OSTI]

    McGowan, Meredeth A.

    A method for the Pd-catalyzed N-arylation of both aryl and alkyl amidines with a wide range of aryl bromides, chlorides, and triflates is described. The reactions proceed in short reaction times and with excellent selectivity ...

  11. FEATURE ARTICLE The Influence of Catalytic Surfaces on the Barriers to Elementary Surface Reaction Steps

    E-Print Network [OSTI]

    Gellman, Andrew J.

    Steps Andrew J. Gellman* Department of Chemical Engineering, Carnegie Mellon UniVersity, Pittsburgh reactions. As examples, the transition state for -hydride elimination in adsorbed alkyl and alkoxy groups -hydride elimination and dehalogenation reactions. 1. Introduction Catalysis science is fundamentally

  12. Novel anisole mixture and gasoline containing the same

    DOE Patents [OSTI]

    Singerman, Gary M. (Monroeville, PA)

    1982-01-26

    A novel anisole mixture containing anisole and a mixture of alkyl anisoles and liquid hydrocarbon fuels containing said novel anisole mixture in an amount sufficient to increase the octane number of said liquid fuel composition.

  13. Process for selective production of di- and tri-alkylamines

    DOE Patents [OSTI]

    Klier, Kamil (Bethlehem, PA); Herman, Richard G. (Whitehall, PA); Vedage, Gamini A. (Bethlehem, PA)

    1984-01-01

    A primary alkyl amine and an alcohol of up to 12 carbon atoms are reacted at low temperature (50.degree.-250.degree. C.) over specific catalysts (alkali-treated catalysts generally or binary Cu/ZnO and Pd/SiO.sub.2 systems, with or without alkali treatment) to produce, with good selectivity, secondary and tertiary alkylamines of the general formula, R.sub.1 N(R.sub.2).sub.2, wherein R.sub.1 is a lower alkyl or an aryl group, and R.sub.2 is hydrogen or another lower alkyl or aryl group, with at least one of R.sub.2 's being an alkyl or aryl group.

  14. Journal of Macromolecular Science R , Part C: Polymer Reviews, 49:2563, 2009

    E-Print Network [OSTI]

    Mather, Patrick T.

    (nanofibers16,17 and carbon nanotubes15,18,19 ). Applications ranging from automotive components to food or otherwise modified with organic groups (commonly alkyl ammonium surfactants) similar or compatible

  15. Mechanisms of toxicity and carcinogenicity of three alkylanilines

    E-Print Network [OSTI]

    Sun, Hsiao-Lan Patty

    2006-01-01

    Alkyl-substituted anilines have been implicated as important etiological agents in human carcinogenesis. Specifically, 2,6-dimethylaniline (2,6-DMA), 3,5-dimethylaniline (3,5-DMA), and 3-ethylaniline (3EA) have been ...

  16. Characterization of pentasil-type molecular sieve catalysts by pulse reactor 

    E-Print Network [OSTI]

    Gezer, Metin

    1987-01-01

    industries in catalytic cracking, hydrocracking, paraffin and olefin isomerization, and aromatic alkylation (Bolton, 1976). For example, molecular sieves have enabled refiners to produce more gasoline from a barrel of crude without increasing plant size...

  17. Effects of support composition and pretreatment on the activity and selectivity of carbon-supported PdCunClx catalysts for the synthesis of diethyl carbonate

    E-Print Network [OSTI]

    Bell, Alexis

    retaining similar blending octane properties [1,2]. Commercial production of DEC and other alkyl carbonates, and alkali hydroxides) [7,13]. While it has been established that the promoters enhance catalyst activity

  18. The versatile E. coli adaptive response protein AlkB mitigates toxicity and mutagenicity of etheno-, ethano-, and methyl-modified bases in vivo

    E-Print Network [OSTI]

    Frick, Lauren Elizabeth

    2007-01-01

    The Escherichia coli AlkB protein is an exceptionally versatile DNA repair enzyme. Its expression is induced upon exposure to alkylating agents as part of the Ada-mediated adaptive response. This member of the ac-ketoglu ...

  19. Enhancing P-xylene selectivity during m-xylene transformation using mildly pre-coked ZSM-5 catalyst

    E-Print Network [OSTI]

    Al-Khattaf, Sulaiman

    -xylene theoretically obtainable from these aromatic compounds is very much limited by thermodynamics. Consequently [1]. It should be mentioned that toluene alkylation with methanol over ZSM-5 was the first test

  20. Synthetic mimics of mammalian cell surface receptors: prosthetic molecules that augment living cells

    E-Print Network [OSTI]

    Peterson, Blake R.

    2005-09-08

    -alkyl derivatives of 3?-cholesterylamine linked to motifs that bind cell-impermeable ligands. When added to living mammalian cells, these synthetic receptors insert into cellular plasma membranes, project ligand-binding small molecules or peptides from the cell...

  1. Room Temperature Copper(II)-Catalyzed Oxidative Cyclization of Enamides to 2,5-Disubstituted Oxazoles via Vinylic C–H Functionalization

    E-Print Network [OSTI]

    Cheung, Chi Wai

    A copper(II)-catalyzed oxidative cyclization of enamides to oxazoles via vinylic C–H bond functionalization at room temperature is described. Various 2,5-disubstituted oxazoles bearing aryl, vinyl, alkyl, and heteroaryl ...

  2. Enantioselective Alkenylation via Nickel-Catalyzed Cross-Coupling with Organozirconium Reagents

    E-Print Network [OSTI]

    Lou, Sha

    A new family of organometallic compounds, organozirconium reagents, are shown to serve as suitable partners in cross-coupling reactions of (activated) secondary alkyl electrophiles. Thus, the first catalytic method for ...

  3. Extraction of actinides by multi-dentate diamides and their evaluation with computational molecular modeling

    SciTech Connect (OSTI)

    Sasaki, Y.; Kitatsuji, Y.; Hirata, M.; Kimura, T.; Yoshizuka, K.

    2008-07-01

    Multi-dentate diamides have been synthesized and examined for actinide (An) extractions. Bi- and tridentate extractants are the focus in this work. The extraction of actinides was performed from 0.1-6 M HNO{sub 3} to organic solvents. It was obvious that N,N,N',N'-tetra-alkyl-diglycolamide (DGA) derivatives, 2,2'-(methylimino)bis(N,N-dioctyl-acetamide) (MIDOA), and N,N'-dimethyl-N,N'-dioctyl-2-(3-oxa-pentadecane)-malonamide (DMDOOPDMA) have relatively high D values (D(Pu) > 70). The following notable results using DGA extractants were obtained: (1) DGAs with short alkyl chains give higher D values than those with long alkyl chain, (2) DGAs with long alkyl chain have high solubility in n-dodecane. Computational molecular modeling was also used to elucidate the effects of structural and electronic properties of the reagents on their different extractabilities. (authors)

  4. DOI: 10.1002/cssc.201402244 Chemocatalytic Upgrading of Tailored Fermentation

    E-Print Network [OSTI]

    Toste, Dean

    .g., gasification of biomass to produce syngas, aqueous phase reforming of sugars, and hydrolysis of biomass on the ABE alkylation reaction. Treat- ment of ABE mixture (2.3:3.7:1) in toluene with catalytic Ru

  5. The origin of methanethiol in midocean ridge hydrothermal fluids

    E-Print Network [OSTI]

    Reeves, Eoghan

    Simple alkyl thiols such as methanethiol (CH[subscript 3]SH) are widely speculated to form in seafloor hot spring fluids. Putative CH[subscript 3]SH synthesis by abiotic (nonbiological) reduction of inorganic carbon ...

  6. This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research

    E-Print Network [OSTI]

    Nair, Sankar

    alkylates, which is ideal for produc- ing reformulated gasoline. However, the current process producing iC4 uses a large, energy intensive distillation column to recycle unconverted nC4 back to a reactor [2

  7. Extremely Electron-Rich, Boron-Functionalized, Icosahedral Carborane-Based Phosphinoboranes

    E-Print Network [OSTI]

    Spokoyny, Alexander M.

    We have prepared the first examples of B9-connected trivalent aryl and alkyl phosphinoborane species via Pd-catalyzed phosphination of 9-iodo-meta-carborane. Our studies highlight the unique electronic features of the ...

  8. Synthesis of a Cationic Inorganic Layered Material for Trapping Anionic Pharmaceutical Pollutants

    E-Print Network [OSTI]

    Sergo, Kevin Michael

    2013-01-01

    often consist of quaternary amines bound to the styrene (Styrene-NR 3+ X - , R = alkyl or aryl group, X = anion)for more anions than styrene resins with the same degree of

  9. The effect of glycosylation on physicochemical and functional properties of soy glycinin 

    E-Print Network [OSTI]

    Lee, Hyungok

    1999-01-01

    Two glycoconjugates, maltosyl glycerin and dextranyl glycerin conjugates were formed by reductive alkylation and imidocarbonate method, respectively. Modifications of lysyl residues were 15, 34, and 45% for maltosyl glycerin ...

  10. Pendant Functional Groups in Metal-Organic Frameworks - Effects on Crystal Structure, Stability, and Gas Sorption Properties 

    E-Print Network [OSTI]

    Makal, Trevor Arnold

    2013-03-14

    The primary goal of this research concerns the synthesis and characterization of metal-organic frameworks (MOFs) grafted with pendant alkyl substituents to enhance stability and gas sorption properties for use in clean-energy related technologies...

  11. Poly(silylene)vinylenes from ethynylhydridosilanes

    DOE Patents [OSTI]

    Barton, T.J.; Ijadi-Maghsoodi, S.

    1992-11-10

    Catalytic polymerization of dialkyl-, alkyl aryl- or diaryl-diethynylhydridosilanes cleanly affords soluble poly(silylene)vinylenes which can be shaped as fibers, films and bulk objects and thermally converted to silicon carbide. No Drawings

  12. Assessment of Energy Efficiency Improvement in the United States Petroleum Refining Industry

    E-Print Network [OSTI]

    Morrow III, William R.

    2014-01-01

    AKU - Alkylation Unit BFW - Boiler Feed Water CCU CDU CKUrefinery offsites (e.g. , boiler efficiency improvements)PJ)  1  Reduce stand?by boiler requirements  Reduce hot 

  13. Electrochemistry, Spectroscopy, and Reactivity of Uranium Complexes Supported by Ferrocene Diamide Ligands

    E-Print Network [OSTI]

    Duhovic, Selma

    2012-01-01

    Complexes of the Rare-Earth Metals. Coord. Chem. Rev. 2008,Amido-Pyridine-Supported Rare-Earth-Metal Alkyl Complexes.Pyridine-Supported Rare-Earth Metal Hydrocarbyl Complexes.

  14. Lubricants or lubricant additives composed of ionic liquids containing ammonium cations

    DOE Patents [OSTI]

    Qu, Jun (Knoxville, TN) [Knoxville, TN; Truhan, Jr.,; John J. (Cookeville, TN) [Cookeville, TN; Dai, Sheng (Knoxville, TN) [Knoxville, TN; Luo, Huimin (Knoxville, TN) [Knoxville, TN; Blau, Peter J. (Knoxville, TN) [Knoxville, TN

    2010-07-13

    A lubricant or lubricant additive is an ionic liquid alkylammonium salt. The alkylammonium salt has the structure R.sub.xNH.sub.(4-x).sup.+,[F.sub.3C(CF.sub.2).sub.yS(O).sub.2].sub.2N.sup- .- where x is 1 to 3, R is independently C.sub.1 to C.sub.12 straight chain alkyl, branched chain alkyl, cycloalkyl, alkyl substituted cycloalkyl, cycloalkyl substituted alkyl, or, optionally, when x is greater than 1, two R groups comprise a cyclic structure including the nitrogen atom and 4 to 12 carbon atoms, and y is independently 0 to 11. The lubricant is effective for the lubrication of many surfaces including aluminum and ceramics surfaces.

  15. Inorganica Chimica Acta 330 (2002) 118127 www.elsevier.com/locate/ica

    E-Print Network [OSTI]

    Jones, William D.

    2002-01-01

    the desulfurization of dibenzothiophene by [Ni(dippe)(m-H)]2 to produce biphenyl [1]. Alkylated dibenzothiophenes also of petroleum [2]. Second, we have suggested that [Ni(dippe)(m-S)]2 results from the combi- nation of two

  16. TRANSITION METAL ACTIVATION AND FUNCTIONALIZATION OF CARBON-HYDROGEN BONDS

    E-Print Network [OSTI]

    Jones, William D.

    . The success includes not only several new nickel, palladium, and platinum based metal systems of the type [M vs. dissociation vs. migration down the alkyl chain. By using deuterium labeling, we have been able

  17. Supporting Information Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2011

    E-Print Network [OSTI]

    Stoltz, Brian M.

    for Nonlinear Experiments SI 93 General Procedure for Kinetic Experiments SI 94 Deuterium Labeling Experiments prior to use. Bis(di(3,5- dimethoxybenzylidene)acetone)palladium(0) (Pd(dmdba)2), alkyl halides

  18. Hydrophobic Polycationic Coatings Disinfect Poliovirus and Rotavirus Solutions

    E-Print Network [OSTI]

    Larson, Alyssa Maxine

    Coating surfaces with N-alkylated polyethylenimines (PEIs), namely branched N,N-hexyl,methyl-PEI via covalent attachment to glass or linear N,N-dodecyl,methyl-PEI by physical deposition (“painting”) onto polyethylene, ...

  19. Nanoindentation of Biodegradable Cellulose Diacetate-graft-Poly(L-lactide) Copolymers: Effect

    E-Print Network [OSTI]

    Wang, Siqun

    - degradable polymers, for example, aliphatic poly- esters and copoly(ester-carbonate)s, have been actively 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1114­1121, 2007 Keywords: cellulose'' concepts, copolymerization and polymer blending of cellulose and its derivatives with synthetic bio

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université 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

  1. 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

  2. Design and Synthesis of Macrocyclic Peptides with Anti- Cancer Potency /

    E-Print Network [OSTI]

    Lin, Chun-Chieh

    2013-01-01

    crude ester was purified via flash column chromatography on silica gel to yield the pure ester 21 (colorless oil,crude product was purified via flash column chromatography on silica gel to afford the desired thioamide 22 (colorless oil,crude product was purified via a flash column chromatography to yield the desired thiazole 23 as a slightly yellow oil (

  3. Chinese Chemical Letters Vol. 13, No. 11, pp 1033 1036, 2002 http://www.imm.ac.cn/journal/ccl.html

    E-Print Network [OSTI]

    Wang, Jianbo

    Chemistry and Molecular Engineering of Ministry of Education, Department of Chemical Biology, College is shown in Scheme 2. Claisen-Schmidt reaction of benzaldehyde 7 with acetone under basic condition gave. Further work is under the way to study the ester 12 in detail and also to look for other esters

  4. By: Jim Chrzanowski October 2014

    E-Print Network [OSTI]

    Princeton Plasma Physics Laboratory

    to update the NSTX for approved performance. A new Centerstack was included as part of the upgrade-part system with Epoxy (EP) and Cyanate Ester (CE) catalyst in Part A and Cyanate Ester (CE) in Part B Oxygen-free silver-bearing copper CDA10700 7 #12; The contract for manufacturing the Inner TF conductor

  5. 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

    electrolyte with phosphoric acid ester and its application for quasi solid-state supercapacitors. (2015-aqueous gel polymer electrolyte with phosphoric acid ester and its application for quasi solid, France h i g h l i g h t s New proton-conducting gel polymer electrolyte has been proposed

  6. New surfactant classes for enhanced oil recovery and their tertiary oil recovery potential

    E-Print Network [OSTI]

    Goddard III, William A.

    esters sorbitan ester ultra-low interfacial tension enhanced oil recovery surfactant flood chemical flood sandstones. In addition to the corefloods, one sandpack surfactant flood was performed. The porous media were by polymer drive slug injection, and incremental oil recovery was measured against time. The tested

  7. Reversal of the Oxidation Cycle in Saccharomyces cerevisiae for Production of Fuels and Chemicals

    E-Print Network [OSTI]

    Zhao, Huimin

    to the synthesis of n-butanol, medium-chain fatty acids (MCFAs), and medium-chain fatty acid ethyl esters (MCFAEEs to produce advanced biofuels, such as n-butanol, long-chain alcohols, fatty acid ethyl esters (FAEEs in S. cerevisiae. KEYWORDS: -oxidation, synthetic biology, advanced biofuels, fatty acid, yeast

  8. Journal of Chromatography A, 807 (1998) 111119 Microemulsion electrokinetic chromatography of fatty acids as

    E-Print Network [OSTI]

    Miksik, Ivan

    1998-01-01

    /w) and n-butanol (6.55%, w/w), pH 10.2. Separation by microemulsion electrokinetic chromatography of fatty acids as phenacyl esters *´ Ivan Miksik , Zdenek Deyl ´ ´Institute of Physiology, Academy of saturated fatty acids containing even number of carbon atoms was successfully separated as phenacyl esters

  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. Polyethylene composites containing a phase change material having a C14 straight chain hydrocarbon

    DOE Patents [OSTI]

    Salyer, Ival O. (Dayton, OH)

    1987-01-01

    A composite useful in thermal energy storage, said composite being formed of a polyethylene matrix having a straight chain alkyl hydrocarbon incorporated therein, said polyethylene being crosslinked to such a degree that said polyethylene matrix is form stable and said polyethylene matrix is capable of absorbing at least 10% by weight of said straight chain alkyl hydrocarbon; the composite is useful in forming pellets or sheets having thermal energy storage characteristics.

  11. Method for producing hydrophobic aerogels

    SciTech Connect (OSTI)

    Hrubesh, Lawrence W. (Pleasanton, CA); Poco, John F. (Livermore, CA); Coronado, Paul R. (Livermore, CA)

    1999-01-01

    A method for treating a dried monolithic aerogel containing non-dispersed particles, with an organometallic surface modifying agent to produce hydrophobic aerogels. The dried, porous hydrophobic aerogels contain a protective layer of alkyl groups, such as methyl groups, on the modified surfaces of the pores of the aerogel. The alkyl groups at the aerogel surface typically contain at least one carbon-metal bond per group.

  12. Method for producing hydrophobic aerogels

    SciTech Connect (OSTI)

    Hrubesh, L.W.; Poco, J.F.; Coronado, P.R.

    1999-12-21

    A method is described for treating a dried monolithic aerogel containing non-dispersed particles, with an organometallic surface modifying agent to produce hydrophobic aerogels. The dried, porous hydrophobic aerogels contain a protective layer of alkyl groups, such as methyl groups, on the modified surfaces of the pores of the aerogel. The alkyl groups at the aerogel surface typically contain at least one carbon-metal bond per group.

  13. Polyculture Analysis

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

    Renewable Fuel Standard, DOE MYPP has a target of 2,500 gallons per acre per year of algae by 2018 and 5,200 by 2022 * Current (mono-culture based) production levels (13 gm 2...

  14. INSTRUCTIONS Warranty: Pierce products are warranted to meet stated product specifications and to conform to label descriptions when used and stored properly. Unless otherwise stated, this

    E-Print Network [OSTI]

    Lebendiker, Mario

    and recycling of ubiquitin monomers by deubiquitinating enzymes. The ubiquitin proteosome pathway as evaluating resin and antibody performance. Note: The Polyubiquitin Affinity Resin binds polymers of ubiquitin containing four or more ubiquitin subunits. Mono- ubiquitinated proteins and short chain polymers (

  15. Public work projects cultivate youth in workforce development programs

    E-Print Network [OSTI]

    Campbell, D; Lamming, Jean; Lemp, Cathy; Brosnahan, Ann; Paterson, Carole; Pusey, John

    2008-01-01

    San Joaquin Solano Sonoma Tulare Child poverty rate (2002)Kern, Inyo, Mono Consortium Tulare Monterey Kings San LuisSolano, (6) Sonoma and (7) Tulare; and the cities of (8) Los

  16. Economic Contributions of the California Nursery Industry

    E-Print Network [OSTI]

    Carman, Hoy; Rodriguez, Ana Maria

    2004-01-01

    Mono Fresno Monterey Tulare Kings Inyo San Luis Obispo KernCr uz, Stanislaus, and Tulare— accounted for 12.6 percent ofObispo Santa Cruz Stanislaus Tulare Top 15 County Total Rest

  17. A review and reappraisal of the night monkey, Aotus lemurinus (Primates: Cebidae), in Costa Rica.

    E-Print Network [OSTI]

    Timm, Robert M.

    1988-11-01

    Los monos nocturnos del género Aotus habitan actualmente las tierras bajas de Suramérica, aunque en épocas pasadas su distribución se prolongaba hasta Isla Bastimentos, Provincia de Boca del Tore, en Panamá. EI único registro de un Aotus colectado...

  18. Water Requirements for Future Energy production in California

    E-Print Network [OSTI]

    Sathaye, J.A.

    2011-01-01

    obtained from the New and Alamo waste water. minimal rivers,400,000 acre-ft/yr The New and Alamo rivers Sea. These carrythe requirements. the New and Alamo, the "Mono Lake area

  19. Synthesis, characterization and X-ray crystal structures of chiral ferrocene-containing -diketones

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    mono-condensation with aliphatic and aromatic diamines [4-6], as well as for the design of transition variety of synthetic transformations [13]; its solubility in organic solvents such as methanol

  20. Synthesis of 5-Substituted Isoxazolidines by [3 plus 2] Cycloaddition of Nitrones Generated in an Unusual Way from Nitrosobenzene and Styrene 

    E-Print Network [OSTI]

    Kang, Jun Yong

    2010-01-20

    A new synthetic method toward 5-substituted isoxazolidines by [3 plus 2] cycloaddition of nitrones generated from nitrosobenzene and styrene was discovered. The formation of nitrones from nitrosobenzene and mono-substituted aromatic styrenes...