National Library of Energy BETA

Sample records for anhydrous denatured aliphatic

  1. Project Profile: Thermochemical Storage with Anhydrous Ammonia...

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

    Project Profile: Thermochemical Storage with Anhydrous Ammonia: Optimizing the Synthesis Reactor for Direct Production of Supercritical Steam Project Profile: Thermochemical...

  2. Production of anhydrous aluminum chloride composition

    DOE Patents [OSTI]

    Vandergrift, G.F. III; Krumpelt, M.; Horwitz, E.P.

    1981-10-08

    A process is described for producing an anhydrous aluminum chloride composition from a water-based aluminous material such as a slurry of aluminum hydroxide in a multistage extraction process in which the aluminum ion is first extracted into an organic liquid containing an acidic extractant and then extracted from the organic phase into an alkali metal chloride or chlorides to form a melt containing a mixture of chlorides of alkali metal and aluminum. In the process, the organic liquid may be recycled. In addition, the process advantageously includes an electrolysis cell for producing metallic aluminum and the alkali metal chloride or chlorides may be recycled for extraction of the aluminum from the organic phase.

  3. A Review Of Water Contents Of Nominally Anhydrous Natural Minerals...

    Open Energy Info (EERE)

    A Review Of Water Contents Of Nominally Anhydrous Natural Minerals In The Mantles Of Earth, Mars And The Moon Jump to: navigation, search OpenEI Reference LibraryAdd to library...

  4. Compact anhydrous HCl to aqueous HCl conversion system

    SciTech Connect (OSTI)

    Grossman, Mark W. (Belmont, MA); Speer, Richard (S. Hamilton, MA)

    1993-01-01

    The present invention is directed to an inexpensive and compact apparatus adapted for use with a .sup.196 Hg isotope separation process and the conversion of anhydrous HCl to aqueous HCl without the use of air flow to carry the HCl vapor into the converter system.

  5. Compact anhydrous HCl to aqueous HCl conversion system

    DOE Patents [OSTI]

    Grossman, M.W.; Speer, R.

    1993-06-01

    The present invention is directed to an inexpensive and compact apparatus adapted for use with a [sup 196]Hg isotope separation process and the conversion of anhydrous HCl to aqueous HCl without the use of air flow to carry the HCl vapor into the converter system.

  6. Method of synthesis of anhydrous thorium(IV) complexes

    DOE Patents [OSTI]

    Kiplinger, Jaqueline L; Cantat, Thibault

    2013-04-30

    Method of producing anhydrous thorium(IV) tetrahalide complexes, utilizing Th(NO.sub.3).sub.4(H.sub.2O).sub.x, where x is at least 4, as a reagent; method of producing thorium-containing complexes utilizing ThCl.sub.4(DME).sub.2 as a precursor; method of producing purified ThCl.sub.4(ligand).sub.x compounds, where x is from 2 to 9; and novel compounds having the structures: ##STR00001##

  7. Retention of anhydrous ammonia as influenced by clay mineral types, cations, temperature and moisture 

    E-Print Network [OSTI]

    McBee, George G

    1956-01-01

    samples . . . ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ 0 13 Ammonia retained by clays heated to various temperature levels prior to treatment with anhydrous ammonia . . . . ~ 1'9 Ammonia retained by clays treated with anhydrous ammonia prior to heating... to various temperature levels . . . . . ~ 20 5a 6. 70 Ammoni. a retained sxuressed as psr cent of cation-exchange capacity for olays treated with anhydrous ammonia prior to heating to various temperature levels . ~. . . . . . ~ ~ . 21 Ammonia retained...

  8. Process for producing peracids from aliphatic hydroxy carboxylic acids

    DOE Patents [OSTI]

    Chum, H.L.; Palasz, P.D.; Ratcliff, M.A.

    1984-12-20

    A process is described for producing peracids from lactic acid-containing solutions derived from biomass processing systems. It consists of adjusting the pH of the solution to about 8 to 9 and removing alkaline residue fractions therefrom to form a solution comprised substantially of lower aliphatic hydroxy acids. The solution is oxidized to produce volatile lower aliphatic aldehydes. The aldehydes are removed as they are generated and converted to peracids.

  9. An investigation of the effectiveness of anhydrous mud acid to remove damage in sandstone formations 

    E-Print Network [OSTI]

    Haase, Dalan David

    1998-01-01

    The goal of this experimental research was to determine the reactivity of anhydrous mud acid with clay minerals present in sandstone formations and its ability to remove damage in sandstone acidizing. Berea core flood experiments were conducted...

  10. Method and apparatus for synthesizing anhydrous HNO/sub 3/. [Patent application

    DOE Patents [OSTI]

    Coon, C.L.; Harrar, J.E.; Pearson, R.K.; McGuire, R.R.

    1982-07-20

    A method and apparatus for electrochemically synthesizing anhydrous HNO/sub 3/ from an aqueous solution of HNO/sub 3/- includes oxidizing a solution of N/sub 2/O/sub 4//aqueous HNO/sub 3/ at an anode, while maintaining a controlled potential between the N/sub 2/O/sub 4//aqueous HNO/sub 3/ solution and the anode. A potential of about 1.80V vs. SCE is preferred. Anhydrous or aqueous HNO/sub 3/ may be disposed at the cathode within the electrochemical cell. Aqueous HNO/sub 3/ having a water content of up to about 12% by weight is utilized to synthesize anhydrous HNO/sub 3/.

  11. Aerobic microorganism for the degradation of chlorinated aliphatic hydrocarbons

    DOE Patents [OSTI]

    Fliermans, Carl B. (Augusta, GA)

    1989-01-01

    A chlorinated aliphatic hydrocarbon-degrading microorganism, having American Type Culture Collection accession numbers ATCC 53570 and 53571, in a biologically pure culture aseptically collected from a deep subsurface habitat and enhanced, mineralizes trichloroethylene and tetrachloroethylene to HCl, H.sub.2 O and Co.sub.2 under aerobic conditions stimulated by methane, acetate, methanol, tryptone-yeast extract, propane and propane-methane.

  12. Water Transport in Polymer Electrolyte Membrane Electrolyzers Used to Recycle Anhydrous HCl

    E-Print Network [OSTI]

    Weidner, John W.

    Water Transport in Polymer Electrolyte Membrane Electrolyzers Used to Recycle Anhydrous HCl I is car- ried out in an electrolyzer similar to a H2-O2 polymer electrolyte membrane PEM fuel cell. The DuPont electrolyzer contains flow channels and gas diffusion backings on the anode and the cathode. The flow channels

  13. ORGANIC GEOCHEMICAL STUDIES. II. THE DISTRIBUTION OF ALIPHATIC HYDROCARBONS IN ALGAE, BACTERIA, AND IN A RECENT LAKE SEDIMENT: A PRELIMINARY REPORT

    E-Print Network [OSTI]

    Han, Jerry; McCarthy, E.D.; Van Hoeven Jr., William; Calvin, Melvin; Bradley, W. H.

    2008-01-01

    significantly to the hydrocarbons of higher molecular weightDISTRIBUTION OF ALIPHATIC HYDROCARBONS IN ALGAE, BACTERIA,T E DISTRIBUTION O ALIPHATIC HYDROCARBONS H F A PRELIMINARY

  14. How water contributes to pressure and cold denaturation of proteins

    E-Print Network [OSTI]

    Bianco, Valentino

    2015-01-01

    The mechanisms of cold- and pressure-denaturation of proteins are matter of debate and are commonly understood as due to water-mediated interactions. Here we study several cases of proteins, with or without a unique native state, with or without hydrophilic residues, by means of a coarse-grain protein model in explicit solvent. We show, using Monte Carlo simulations, that taking into account how water at the protein interface changes its hydrogen bond properties and its density fluctuations is enough to predict protein stability regions with elliptic shapes in the temperature-pressure plane, consistent with previous theories. Our results clearly identify the different mechanisms with which water participates to denaturation and open the perspective to develop advanced computational design tools for protein engineering.

  15. Production of anhydrous aluminum chloride composition and process for electrolysis thereof

    DOE Patents [OSTI]

    Vandegrift, George F. (Bolingbrook, Naperville, IL); Krumpelt, Michael (Naperville, IL); Horwitz, E. Philip (Hinsdale, IL)

    1983-01-01

    A process for producing an anhydrous aluminum chloride composition from a water-based aluminous material such as a slurry of aluminum hydroxide in a multistage extraction process in which the aluminum ion is first extracted into an organic liquid containing an acidic extractant and then extracted from the organic phase into an alkali metal chloride or chlorides to form a melt containing a mixture of chlorides of alkali metal and aluminum. In the process, the organic liquid may be recycled. In addition, the process advantageously includes an electrolysis cell for producing metallic aluminum and the alkali metal chloride or chlorides may be recycled for extraction of the aluminum from the organic phase.

  16. Reductive dechlorination of chlorinated aliphatic hydrocarbons by Fe(ii) in degradative solidification/stabilization 

    E-Print Network [OSTI]

    Jung, Bahng Mi

    2007-04-25

    This dissertation examines the applicability of the iron-based degradative solidification/stabilization (DS/S-Fe(II)) to various chlorinated aliphatic hydrocarbons (CAHs) that are common chemicals of concern at contaminated sites. The research...

  17. Strategies for denaturing the weapons-grade plutonium stockpile

    SciTech Connect (OSTI)

    Buckner, M.R.; Parks, P.B.

    1992-10-01

    In the next few years, approximately 50 metric tons of weapons-grade plutonium and 150 metric tons of highly-enriched uranium (HEU) may be removed from nuclear weapons in the US and declared excess. These materials represent a significant energy resource that could substantially contribute to our national energy requirements. HEU can be used as fuel in naval reactors, or diluted with depleted uranium for use as fuel in commercial reactors. This paper proposes to use the weapons-grade plutonium as fuel in light water reactors. The first such reactor would demonstrate the dual objectives of producing electrical power and denaturing the plutonium to prevent use in nuclear weapons.

  18. Process for the synthesis of aliphatic alcohol-containing mixtures

    DOE Patents [OSTI]

    Greene, Marvin I. (Oradell, NJ); Gelbein, Abraham P. (Morristown, NJ)

    1984-01-01

    A process for the synthesis of mixtures which include saturated aliphatic alcohols is disclosed. In the first step of the process, the first catalyst activation stage, a catalyst, which comprises the oxides of copper, zinc, aluminum, potassium and one or two additional metals selected from the group consisting of chromium, magnesium, cerium, cobalt, thorium and lanthanum, is partially activated. In this step, a reducing gas stream, which includes hydrogen and at least one inert gas, flows past the catalyst at a space velocity of up to 5,000 liters (STP) per hour, per kilogram of catalyst. The partially activated catalyst is then subjected to the second step of the process, second-stage catalyst activation. In this step, the catalyst is contacted by an activation gas stream comprising hydrogen and carbon monoxide present in a volume ratio of 0.5:1 and 4:1, respectively, at a temperature of 200.degree. to 450.degree. C. and a pressure of between 35 and 200 atmospheres. The activation gas flows at a space velocity of from 1,000 to 20,000 liters (STP) per hour, per kilogram of catalyst. Second-stage activation continues until the catalyst is contacted with at least 500,000 liters (STP) of activation gas per kilogram of catalyst. The fully activated catalyst, in the third step of the process, contacts a synthesis gas stream comprising hydrogen and carbon monoxide.

  19. Process for the synthesis of aliphatic alcohol-containing mixtures

    DOE Patents [OSTI]

    Greene, M.I.; Gelbein, A.P.

    1984-10-16

    A process for the synthesis of mixtures which include saturated aliphatic alcohols is disclosed. In the first step of the process, the first catalyst activation stage, a catalyst, which comprises the oxides of copper, zinc, aluminum, potassium and one or two additional metals selected from the group consisting of chromium, magnesium, cerium, cobalt, thorium and lanthanum, is partially activated. In this step, a reducing gas stream, which includes hydrogen and at least one inert gas, flows past the catalyst at a space velocity of up to 5,000 liters (STP) per hour, per kilogram of catalyst. The partially activated catalyst is then subjected to the second step of the process, second-stage catalyst activation. In this step, the catalyst is contacted by an activation gas stream comprising hydrogen and carbon monoxide present in a volume ratio of 0.5:1 and 4:1, respectively, at a temperature of 200 to 450 C and a pressure of between 35 and 200 atmospheres. The activation gas flows at a space velocity of from 1,000 to 20,000 liters (STP) per hour, per kilogram of catalyst. Second-stage activation continues until the catalyst is contacted with at least 500,000 liters (STP) of activation gas per kilogram of catalyst. The fully activated catalyst, in the third step of the process, contacts a synthesis gas stream comprising hydrogen and carbon monoxide.

  20. Shape memory polymers based on uniform aliphatic urethane networks

    SciTech Connect (OSTI)

    Wilson, T S; Bearinger, J P; Herberg, J L; Marion III, J E; Wright, W J; Evans, C L; Maitland, D J

    2007-01-19

    Aliphatic urethane polymers have been synthesized and characterized, using monomers with high molecular symmetry, in order to form amorphous networks with very uniform supermolecular structures which can be used as photo-thermally actuable shape memory polymers (SMPs). The monomers used include hexamethylene diisocyanate (HDI), trimethylhexamethylenediamine (TMHDI), N,N,N{prime},N{prime}-tetrakis(hydroxypropyl)ethylenediamine (HPED), triethanolamine (TEA), and 1,3-butanediol (BD). The new polymers were characterized by solvent extraction, NMR, XPS, UV/VIS, DSC, DMTA, and tensile testing. The resulting polymers were found to be single phase amorphous networks with very high gel fraction, excellent optical clarity, and extremely sharp single glass transitions in the range of 34 to 153 C. Thermomechanical testing of these materials confirms their excellent shape memory behavior, high recovery force, and low mechanical hysteresis (especially on multiple cycles), effectively behaving as ideal elastomers above T{sub g}. We believe these materials represent a new and potentially important class of SMPs, and should be especially useful in applications such as biomedical microdevices.

  1. Large-scale production of anhydrous nitric acid and nitric acid solutions of dinitrogen pentoxide

    DOE Patents [OSTI]

    Harrar, Jackson E. (Castro Valley, CA); Quong, Roland (Oakland, CA); Rigdon, Lester P. (Livermore, CA); McGuire, Raymond R. (Brentwood, CA)

    2001-01-01

    A method and apparatus are disclosed for a large scale, electrochemical production of anhydrous nitric acid and N.sub.2 O.sub.5. The method includes oxidizing a solution of N.sub.2 O.sub.4 /aqueous-HNO.sub.3 at the anode, while reducing aqueous HNO.sub.3 at the cathode, in a flow electrolyzer constructed of special materials. N.sub.2 O.sub.4 is produced at the cathode and may be separated and recycled as a feedstock for use in the anolyte. The process is controlled by regulating the electrolysis current until the desired products are obtained. The chemical compositions of the anolyte and catholyte are monitored by measurement of the solution density and the concentrations of N.sub.2 O.sub.4.

  2. Impact of porous medium desiccation during anhydrous CO2 injection in deep saline aquifers: up scaling from experimental

    E-Print Network [OSTI]

    Boyer, Edmond

    flow rate and capillary properties on the desiccation mechanisms. Keywords: supercritical CO2, dryingImpact of porous medium desiccation during anhydrous CO2 injection in deep saline aquifers: up - France Abstract Injection of CO2 in geological reservoirs or deep aquifers is nowadays studied

  3. Process for removing halogenated aliphatic and aromatic compounds from petroleum products

    DOE Patents [OSTI]

    Googin, John M. (Oak Ridge, TN); Napier, John M. (Oak Ridge, TN); Travaglini, Michael A. (Oliver Springs, TN)

    1983-01-01

    A process for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contacting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible compound, such as, water or a polyhydroxy compound, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of water or polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the water or polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds and the low polar or nonpolar solvent are separated by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered from recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced.

  4. Process for removing halogenated aliphatic and aromatic compounds from petroleum products

    DOE Patents [OSTI]

    Googin, J.M.; Napier, J.M.; Travaglini, M.A.

    1983-09-20

    A process is described for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contacting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible compound, such as, water or a polyhydroxy compound, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of water or polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the water or polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds and the low polar or nonpolar solvent are separated by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered from recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced. 1 fig.

  5. Recovery of near-anhydrous ethanol as gasoline additive from fermentation products

    SciTech Connect (OSTI)

    Boukouvalas, C.; Markoulaki, E.; Magoulas, K.; Tassios, D. [National Technical Univ. of Athens (Greece)

    1995-06-01

    The use of near-anhydrous ethanol, obtained from fermentation products through low pressure distillation, as a gasoline additive is examined. To this purpose, a reliable model for predicting the azeotropic composition of an ethanol-water mixture as a function of the pressure is presented. It is developed by considering the available thermodynamic consistent experimental data and using the Wilson and the virial equations for the liquid-and vapor-phase nonideality, respectively. It is concluded that, for an area with no extremely cold winters-minimum ambient temperature -20{degrees}C-alcohol with 96.5%(wt) purity can be used in a 90/10 (vol) gasohol mixture. Such an alcohol can be produced with a single distillation column operating at 140 mmHg pressure with an energy consumption of 5150 kJ/kg of product; or with a system of two columns with lower energy consumption but higher capital cost. These energy consumptions are very sensitive to the accuracy of the predicted azeotropic composition at the operating pressures.

  6. Slow closure of denaturation bubbles in DNA: twist matters

    E-Print Network [OSTI]

    Anil Kumar Dasanna; Nicolas Destainville; John Palmeri; Manoel Manghi

    2013-04-24

    The closure of long equilibrated denaturation bubbles in DNA is studied using Brownian dynamics simulations. A minimal mesoscopic model is used where the double-helix is made of two interacting bead-spring freely rotating strands, with a non-zero torsional modulus in the duplex state, $\\kappa_\\phi=$200 to 300 kT. For DNAs of lengths N=40 to 100 base-pairs (bps) with a large initial bubble in their middle, long closure times of 0.1 to 100 microseconds are found. The bubble starts winding from both ends until it reaches a 10 bp metastable state. The final closure is limited by three competing mechanisms depending on $\\kappa_\\phi$ and N: arms diffusion until their alignment, bubble diffusion along the DNA until one end is reached, or local Kramers process (crossing over a torsional energy barrier). For clamped ends or long DNAs, the closure occurs via this latter temperature activated mechanism, yielding for the first time a good quantitative agreement with experiments.

  7. Mechanisms of bioprosthetic heart valve failure: Fatigue causes collagen denaturation and glycosaminoglycan loss

    E-Print Network [OSTI]

    Zand, Robert

    Mechanisms of bioprosthetic heart valve failure: Fatigue causes collagen denaturation heart valve (BPHV) degeneration, characterized by extracellular matrix deterioration, remod- eling) with glutaraldehyde fixed porcine aortic valve bioprostheses, that the mechanical function of cardiac valve cusps

  8. An Effective Solvent Theory Connecting the Underlying Mechanisms of Osmolytes and Denaturants for Protein Stability

    E-Print Network [OSTI]

    Plotkin, Steven S.

    An Effective Solvent Theory Connecting the Underlying Mechanisms of Osmolytes and Denaturants solvent, using a single, contact-based interaction energy between protein and solvent particles or repulsive. A statistical mechanical equiv- alence is demonstrated between this effective solvent model

  9. Single-molecule denaturation and degradation of proteins by the AAA+ ClpXP protease

    E-Print Network [OSTI]

    Shin, Yongdae

    ClpXP is an ATP-fueled molecular machine that unfolds and degrades target proteins. ClpX, an AAA+ enzyme, recognizes specific proteins, and then uses cycles of ATP hydrolysis to denature any native structure and to translocate ...

  10. aliphatic hydrocarbons constitute the largest fraction of cuticular wax in bees and cover

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    aliphatic hydrocarbons constitute the largest fraction of cuticular wax in bees and cover a highly hydrocarbons in the cuticular waxes of bees are widely assumed to func- tion as recognition cues (for nestmate discriminate cuticular waxes based on esters and polar components Birgit FRÖHLICHa, Markus RIEDERERa, Jürgen

  11. Palladium-Catalysed CH Activation of Aliphatic Amines! to give Strained Nitrogen Heterocycles !

    E-Print Network [OSTI]

    Jackson, Sophie

    Palladium-Catalysed C­H Activation of Aliphatic Amines! to give Strained Nitrogen Heterocycles. The University of Cambridge, Lensfield Road, Cambridge, CB2 1EW.! Palladium-Catalyzed C­H Activation Modes cyclopalladation complex N H palladium catalyst directed C­H activation oxidant C­Pd functionalization 4-membered

  12. Metal Catalyzed Formation of Aliphatic Polycarbonates Involving Oxetanes and Carbon Dioxide as Monomers 

    E-Print Network [OSTI]

    Moncada, Adriana I.

    2011-08-08

    OF THE COPOLYMERIZATION REACTION OF OXETANE AND CARBON DIOXIDE TO PROVIDE ALIPHATIC POLYCARBONATES CATALYZED BY (SALEN)CrX COMPLEXES ............................................................... 27 Introduction... OF OXETANE OR EPOXIDES AND CO2 CATALYZED BY (SALEN)CrX COMPLEXES .............. 66 Introduction .................................................................................... 66 Experimental Section...

  13. HOUSEHOLD AND STRUCTURAL INSECTS Mineral Oil and Aliphatic Alcohols: Toxicity and Analysis of Synergistic

    E-Print Network [OSTI]

    O'Brien, Timothy E.

    HOUSEHOLD AND STRUCTURAL INSECTS Mineral Oil and Aliphatic Alcohols: Toxicity and Analysis. Entomol. 104(5): 1680Š1686 (2011); DOI: http://dx.doi.org/10.1603/EC10440 ABSTRACT Two mineral oils and 12 and some- times repeated applications. Mineral oils, and other petroleum distillates, are often used

  14. Matrixassisted laser desorption/ionization mass spectrometric analysis of aliphatic biodegradable photoluminescent polymers

    E-Print Network [OSTI]

    Yang, Jian

    photoluminescent polymers using new ionic liquid matrices Carlos A. Serrano1 , Yi Zhang2 , Jian Yang2 and Kevin A elucidation of recently developed aliphatic biodegradable polymers by matrixassisted laser desorption/ionization mass spectrometry (MALDIMS). The polymers, formed by a condensation reaction of three components

  15. THE UNUSUAL HYDROCARBON EMISSION FROM THE EARLY CARBON STAR HD 100764: THE CONNECTION BETWEEN AROMATICS AND ALIPHATICS

    E-Print Network [OSTI]

    Sloan, Gregory C.

    THE UNUSUAL HYDROCARBON EMISSION FROM THE EARLY CARBON STAR HD 100764: THE CONNECTION BETWEEN disk. The spectrum shows emission features from polycyclic aro- matic hydrocarbons (PAHs shifts are consistent with hydrocarbon mixtures containing both aromatic and aliphatic bonds. We propose

  16. Multistep Denaturation of Borrelia burgdorferi OspA, a Protein Containing a Single-Layer -Sheet

    E-Print Network [OSTI]

    York 14642, Department of Molecular Biophysics and Biochemistry, Yale UniVersity, New Ha, by increasing the free energy of alternative conformations, such as denatured states. Outer surface protein. Engelman§ Department of Biochemistry and Biophysics, UniVersity of Rochester Medical Center, Rochester, New

  17. The extremely slow-exchanging core and acid-denatured state of green fluorescent protein

    E-Print Network [OSTI]

    Jackson, Sophie

    with a complex eleven- stranded -barrel structure. Previous studies have shown that it has a complex energy resonance ,,NMR... techniques to probe the energy landscape for folding of GFP in further detail. H a folding nucleus. Using a pulsed-labeling strategy, the acid-denatured state has been investigated

  18. Process for removing halogenated aliphatic and aromatic compounds from petroleum products. [Polychlorinated biphenyls; methylene chloride; perchloroethylene; trichlorofluoroethane; trichloroethylene; chlorobenzene

    DOE Patents [OSTI]

    Googin, J.M.; Napier, J.M.; Travaglini, M.A.

    1982-03-31

    A process for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contracting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible polyhydroxy compound, such as, water, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds in the low polar or nonpolar solvent by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered for recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced. 2 tables.

  19. ELECTRONIC SOLUTION SPECTRA FOR URANIUM AND NEPTUNIUM IN OXIDATION STATES (III) TO (VI) IN ANHYDROUS HYDROGEN FLUORIDE

    SciTech Connect (OSTI)

    Baluka, M.; Edelstein, N.; O'Donnell, T. A.

    1980-10-01

    Spectra have been recorded for solutions in anhydrous hydrogen fluoride (AHF) of uranium and neptunium in oxidation states (III) to (VI). The spectra for U(III), Np(III) and Np(IV) in AHF are very similar to those in acidified aqueous solution, but that for U(IV) suggests that the cationic species is UF{sub 2}{sup 2+}. The AHF spectra for the elements in oxidation states (V) and (VI) are not comparable with those of the formally analogous aqueous solutions, where the elements exist as well-defined dioxo-cations. However, the AHF spectra can be related to spectra in the gas phase, in the solid state or in non-aqueous solvents for each element in its appropriate oxidation state.

  20. Ligand-Enabled Catalytic C–H Arylation of Aliphatic Amines via a Four Membered Ring Cyclopalladation Pathway

    E-Print Network [OSTI]

    He, Chuan; Gaunt, Matthew J.

    2015-01-01

    A palladium-catalyzed C–H arylation of aliphatic amines with arylboronic esters is described via a four membered ring cyclopalladation pathway. Crucial to the successful outcome of this reaction is the action of an amino acid derived ligand. A range...

  1. Amperometric detection and electrochemical oxidation of aliphatic amines and ammonia on silver-lead oxide thin-film electrodes

    SciTech Connect (OSTI)

    Ge, Jisheng

    1996-01-08

    This thesis comprises three parts: Electrocatalysis of anodic oxygen-transfer reactions: aliphatic amines at mixed Ag-Pb oxide thin-film electrodes; oxidation of ammonia at anodized Ag-Pb eutectic alloy electrodes; and temperature effects on oxidation of ethylamine, alanine, and aquated ammonia.

  2. Unique gas and hydrocarbon adsorption in a highly porous metal-organic framework made of extended aliphatic ligandsw

    E-Print Network [OSTI]

    Li, Jing

    Unique gas and hydrocarbon adsorption in a highly porous metal-organic framework made of extended as an Advance Article on the web 15th October 2008 DOI: 10.1039/b814498b High and unique gas and hydrocarbon the corresponding carboxylates). Due to the aliphatic nature of these ligands, the gas and hydrocarbon adsorption

  3. Spatial variations and chronologies of aliphatic hydrocarbons in Lake Michigan sediments.

    SciTech Connect (OSTI)

    Doskey, P. V.; Environmental Research

    2001-01-15

    Four sediment cores were collected in fine-grained depositional areas of the southern basin of Lake Michigan. Spatial variations of aliphatic hydrocarbons in surficial sediments were consistent with a lakeward movement of riverine sediments in a series of resuspension-settling cycles in which an unresolved complex mixture (UCM) of hydrocarbons associated with dense sediments is deposited in nearshore areas, fine-grained sediments of terrestrial origin accumulate in the deep basin, and planktonic hydrocarbons are depleted by microbial degradation during transport to the deep basin. The rate of accumulation of the UCM (a marker of petroleum residues) in deep basin sediments has increased by more than an order of magnitude since 1880, from 60 {mu}g m{sup -2}{center_dot}a{sup -1} to approximately 960 {mu}g m{sup -2}{center_dot}a{sup -1} in 1980. Crude estimates of the atmospheric loading of the UCM (1100 {mu}g m{sup -2}{center_dot}a{sup -1}) indicate that accumulations in deep-basin sediments might be supported by atmospheric deposition. Agreement was poor between the atmospheric flux of the terrestrial n-alkanes ({Sigma}C{sub 25}, C{sub 27}, C{sub 29}, C{sub 31}) to the deep basin (3200 {mu}g m{sup -2}{center_dot}a{sup -1}) and the sediment accumulation rate (660 {mu}g m{sup -2}{center_dot}a{sup -1}). Understanding of atmospheric fluxes, estimated from the very few available data, would be improved by more frequent measurement of the levels of aliphatic hydrocarbons in air and precipitation and a better knowledge of the particle deposition velocities and precipitation scavenging coefficients.

  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. Consistent treatment of hydrophobicity in protein lattice models accounts for cold denaturation

    E-Print Network [OSTI]

    van Dijk, Erik; Knowles, Tuomas; Frenkel, Daan; Abeln, Sanne

    2015-01-01

    The hydrophobic effect stabilizes the native structure of proteins by minimizing the unfavourable interactions between hydrophobic residues and water through the formation of a hydrophobic core. Here we include the entropic and enthalpic contributions of the hydrophobic effect explicitly in an implicit solvent model. This allows us to capture two important effects: a length-scale dependence and a temperature dependence for the solvation of a hydrophobic particle. This consistent treatment of the hydrophobic effect explains cold denaturation and heat capacity measurements of solvated proteins.

  6. Consistent treatment of hydrophobicity in protein lattice models accounts for cold denaturation

    E-Print Network [OSTI]

    Erik van Dijk; Patrick Varilly; Tuomas Knowles; Daan Frenkel; Sanne Abeln

    2015-11-25

    The hydrophobic effect stabilizes the native structure of proteins by minimizing the unfavourable interactions between hydrophobic residues and water through the formation of a hydrophobic core. Here we include the entropic and enthalpic contributions of the hydrophobic effect explicitly in an implicit solvent model. This allows us to capture two important effects: a length-scale dependence and a temperature dependence for the solvation of a hydrophobic particle. This consistent treatment of the hydrophobic effect explains cold denaturation and heat capacity measurements of solvated proteins.

  7. ORGANIC GEOCHEMICAL STUDIES. II. THE DISTRIBUTION OF ALIPHATIC HYDROCARBONS IN ALGAE, BACTERIA, AND IN A RECENT LAKE SEDIMENT: A PRELIMINARY REPORT

    E-Print Network [OSTI]

    Han, Jerry; McCarthy, E.D.; Van Hoeven Jr., William; Calvin, Melvin; Bradley, W. H.

    2008-01-01

    ALIPHATIC HYDROCARBONS IN ALGAE, BACTERIA, AND IN A RECENTH F A PRELIMINARY REPORT IN ALGAE, BACTERIA, AKD IN A RECENTrests on the finding that algae have less cellulose and a

  8. Conceptual design characteristics of a denatured molten-salt reactor with once-through fueling

    SciTech Connect (OSTI)

    Engel, J.R.; Bauman, H.F.; Dearing, J.F.; Grimes, W.R.; McCoy, H.E.; Rhoades, W.A.

    1980-07-01

    A study was made to examine the conceptual feasibility of a molten-salt power reactor fueled with denatured /sup 235/U and operated with a minimum of chemical processing. Because such a reactor would not have a positive breeding gain, reductions in the fuel conversion ratio were allowed in the design to achieve other potentially favorable characteristics for the reactor. A conceptual core design was developed in which the power density was low enough to allow a 30-year life expectancy of the moderator graphite with a fluence limit of 3 x 10/sup 26/ neutrons/m/sup 2/ (E > 50 keV). This reactor could be made critical with about 3450 kg of 20% enriched /sup 235/U and operated for 30 years with routine additions of denatured /sup 235/U and no chemical processing for removal of fission products. A review of the chemical considerations assoicated with the conceptual fuel cycle indicates that no substantial difficulties would be expected if the soluble fission products and higher actinides were allowed to remain in the fuel salt for the life of the plant.

  9. Generalized Poland-Scheraga denaturation model and two-dimensional renewal processes

    E-Print Network [OSTI]

    Giambattista Giacomin; Maha Khatib

    2015-10-27

    The Poland-Scheraga model describes the denaturation transition of two complementary - in particular, equally long - strands of DNA, and it has enjoyed a remarkable success both for quantitative modeling purposes and at a more theoretical level. The solvable character of the homogeneous version of the model is one of features to which its success is due. In the bio-physical literature a generalization of the model, allowing different length and non complementarity of the strands, has been considered and the solvable character extends to this substantial generalization. We present a mathematical analysis of the homogeneous generalized Poland-Scheraga model. Our approach is based on the fact that such a model is a homogeneous pinning model based on a bivariate renewal process, much like the basic Poland-Scheraga model is a pinning model based on a univariate, i.e. standard, renewal. We present a complete analysis of the free energy singularities, which include the localization-delocalization critical point and (in general) other critical points that have been only partially captured in the physical literature. We obtain also precise estimates on the path properties of the model.

  10. Critical study on the development and design of an automated multicapillary electrophoresis instrument with collection of mutant DNA fractions using Constant Denaturant Capillary Electrophoresis (CDCE)

    E-Print Network [OSTI]

    Kao, Leslie E

    2008-01-01

    Constant Denaturant Capillary Electrophoresis (CDCE) is a separation tool based on the cooperative melting equilibrium principle that is used to detect mutations as low as of 106. This technique has already demonstrated ...

  11. Small-Angle X-ray Scattering and Single-Molecule FRET Spectroscopy Produce Highly Divergent Views of the Low-Denaturant Unfolded State

    SciTech Connect (OSTI)

    Yoo, Tae Yeon; Meisburger, Steve P.; Hinshaw, James; Pollack, Lois; Haran, Gilad; Sosnick, Tobin R.; Plaxco, Kevin (Cornell); (WIS-I); (UCSB); (UC)

    2012-10-10

    The results of more than a dozen single-molecule Foerster resonance energy transfer (smFRET) experiments suggest that chemically unfolded polypeptides invariably collapse from an expanded random coil to more compact dimensions as the denaturant concentration is reduced. In sharp contrast, small-angle X-ray scattering (SAXS) studies suggest that, at least for single-domain proteins at non-zero denaturant concentrations, such compaction may be rare. Here, we explore this discrepancy by studying protein L, a protein previously studied by SAXS (at 5 C), which suggested fixed unfolded-state dimensions from 1.4 to 5 M guanidine hydrochloride (GuHCl), and by smFRET (at 25 C), which suggested that, in contrast, the chain contracts by 15-30% over this same denaturant range. Repeating the earlier SAXS study under the same conditions employed in the smFRET studies, we observe little, if any, evidence that the unfolded state of protein L contracts as the concentration of GuHCl is reduced. For example, scattering profiles (and thus the shape and dimensions) collected within {approx} 4 ms after dilution to as low as 0.67 M GuHCl are effectively indistinguishable from those observed at equilibrium at higher denaturant. Our results thus argue that the disagreement between SAXS and smFRET is statistically significant and that the experimental evidence in favor of obligate polypeptide collapse at low denaturant cannot be considered conclusive yet.

  12. Proposed replacement and operation of the anhydrous hydrogen fluoride supply and fluidized-bed chemical processing systems at Building 9212, Y-12 Plant, Oak Ridge, Tennessee

    SciTech Connect (OSTI)

    NONE

    1995-09-01

    The US Department of Energy (DOE) proposes to replace the existing anhydrous hydrogen fluoride (AHF) supply and fluidized-bed reactor systems for the Weapons Grade Highly Enriched Uranium Chemical Recovery and Recycle Facility, Building 9212, which is located within the Y-12 Plant on DOE`s Oak Ridge Reservation in Oak Ridge, Tennessee. The proposed replacement system would be based upon modern design criteria and safety analyses. The replacement AHF supply and distribution system equipment would be located on the existing Dock 8/8A at Building 9212. Utilities would be extended to the dock to service the process equipment. The following process equipment modules would be prefabricated for installation at the modified dock: an AHF cylinder enclosure, an AHF supply manifold and vaporizer module, an AHF sump tank and transfer skid, and an AHF supply off-gas scrubber assembly module. The fluidized-bed reactor system would be constructed in an area adjacent to the existing system in Building 9212. The replacement equipment would consist of a new reduction fluidized-bed reactor, a hydrofluorination fluidized-bed reactor, and associated air emission control equipment. The no-action alternative, which is the continued operation of the existing AHF supply and fluidized-bed reactor systems, was also evaluated.

  13. Preventing Theft of Anhydrous Ammonia 

    E-Print Network [OSTI]

    Smith, David

    2004-09-16

    of the chemical into the air, exposing farmers, agricultural workers and rescue workers to the toxic gas. When thefts are aborted or when thieves are overcome by the fumes, small storage containers such as bottles or tanks may be left behind; these pose a risk... law enforcement offi cials. ? Consider installing motion-detector lights and alarms and video surveillance; establish security patrols. ? Remove hoses from storage tanks during the off-season and store them separately from the tanks. Tips...

  14. Recovery of anhydrous hydrogen iodide

    DOE Patents [OSTI]

    O'Keefe, Dennis R. (San Diego, CA); McCorkle, Jr., Kenneth H. (Del Mar, CA); de Graaf, Johannes D. (The Hague, NL)

    1982-01-01

    Relatively dry hydrogen iodide can be recovered from a mixture of HI, I.sub.2 and H.sub.2 O. After the composition of the mixture is adjusted so that the amounts of H.sub.2 O and I.sub.2 do not exceed certain maximum limits, subjection of the mixture to superatmospheric pressure in an amount equal to about the vapor pressure of HI at the temperature in question causes distinct liquid phases to appear. One of the liquid phases contains HI and not more than about 1 weight percent water. Often the adjustment in the composition will include the step of vaporization, and the distinct layers appear following the increase in pressure of the vapor mixture. Adjustment in the composition may also include the addition of an extraction agent, such as H.sub.3 PO.sub.4, and even though the adjusted composition mixture contains a significant amount of such an agent, the creation of the distinct liquid phases is not adversely affected.

  15. DNA sequencing by denaturation

    E-Print Network [OSTI]

    Chen, Ying-Ja

    2009-01-01

    of Philosophy in Bioengineering by Ying-Ja Chen Committee inMaster of Science, Bioengineering, University of California,of Philosophy, Bioengineering, University of California, San

  16. Biophysical studies of anhydrous peptide structure 

    E-Print Network [OSTI]

    McLean, Janel Renee

    2009-05-15

    peptide folding motifs in the absence of solvent, suggesting that in vacuo studies may potentially discern the role of solvation in protein structure. Ion mobility-mass spectrometry (IMMS) combines a gas-phase ion separation based on collision cross...

  17. Topologically identical, but geometrically isomeric layers in hydrous ?-, ?-Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O and anhydrous Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})

    SciTech Connect (OSTI)

    Yu, Na; Klepov, Vladislav V. [Forschungszentrum Jülich GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich (Germany); Villa, Eric M. [Department of Chemistry, Creighton University, 2500 California Plaza, Omaha NE 68178 (United States); Bosbach, Dirk [Forschungszentrum Jülich GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich (Germany); Suleimanov, Evgeny V. [Department of Chemistry, Lobachevsky State University of Nizhny Novgorod, 603950 Nizhny Novgorod (Russian Federation); Depmeier, Wulf [Institut für Geowissenschaften, Universität zu Kiel, 24118 Kiel (Germany); Albrecht-Schmitt, Thomas E., E-mail: albrecht-schmitt@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, 102 Varsity Way, Tallahassee, FL 32306-4390 (United States); Alekseev, Evgeny V., E-mail: e.alekseev@fz-juelich.de [Forschungszentrum Jülich GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich (Germany); Institut für Kristallographie, RWTH Aachen University, 52066 Aachen (Germany)

    2014-07-01

    The hydrothermal reaction of uranyl nitrate with rubidium nitrate and arsenic (III) oxide results in the formation of polymorphic ?- and ?-Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O (?-, ?-RbUAs) and the anhydrous phase Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})] (RbUAs). These phases were structurally, chemically and spectroscopically characterized. The structures of all three compounds are based upon topologically identical, but geometrically isomeric layers. The layers are linked with each other by means of the Rb cations and hydrogen bonding. Dehydration experiments demonstrate that water deintercalation from hydrous ?- and ?-RbUAs yields anhydrous RbUAs via topotactic reactions. - Graphical abstract: Three different layer geometries observed in the structures of Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})] and ?- and ?- Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O. Two different coordination environments of uranium polyhedra (types I and II) are shown schematically on the top of the figure. - Highlights: • Three new uranyl arsenates were synthesized from the hydrothermal reactions. • The phases consist of the topologically identical but geometrically different layers. • Topotactic transitions were observed in the processes of mono-hyrates dehydration.

  18. Experimental and Modeling Study of the Flammability of Fuel Tank Headspace Vapors from Ethanol/Gasoline Fuels; Phase 3: Effects of Winter Gasoline Volatility and Ethanol Content on Blend Flammability; Flammability Limits of Denatured Ethanol

    SciTech Connect (OSTI)

    Gardiner, D. P.; Bardon, M. F.; Clark, W.

    2011-07-01

    This study assessed differences in headspace flammability for summertime gasolines and new high-ethanol content fuel blends. The results apply to vehicle fuel tanks and underground storage tanks. Ambient temperature and fuel formulation effects on headspace vapor flammability of ethanol/gasoline blends were evaluated. Depending on the degree of tank filling, fuel type, and ambient temperature, fuel vapors in a tank can be flammable or non-flammable. Pure gasoline vapors in tanks generally are too rich to be flammable unless ambient temperatures are extremely low. High percentages of ethanol blended with gasoline can be less volatile than pure gasoline and can produce flammable headspace vapors at common ambient temperatures. The study supports refinements of fuel ethanol volatility specifications and shows potential consequences of using noncompliant fuels. E85 is flammable at low temperatures; denatured ethanol is flammable at warmer temperatures. If both are stored at the same location, one or both of the tanks' headspace vapors will be flammable over a wide range of ambient temperatures. This is relevant to allowing consumers to splash -blend ethanol and gasoline at fueling stations. Fuels compliant with ASTM volatility specifications are relatively safe, but the E85 samples tested indicate that some ethanol fuels may produce flammable vapors.

  19. Denaturing of Molecules | GE Global Research

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submit theCovalent Bonding Low-Cost2DepartmentDelta Dental ClaimADVANCES INDo

  20. Probing the denatured state ensemble with fluorescence 

    E-Print Network [OSTI]

    Alston, Roy Willis

    2004-09-30

    of these five proteins were studied and compared to the fluorescent properties of eight model compounds: N-acetyl-tryptophan-amide (NATA), N-acetyl-Ala-Trp-Ala-amide (AWA), N-acetyl-Ala-Ala-Trp-Ala-Ala-amide (AAWAA), and five pentapeptides based on the sequence...

  1. Denaturation of DNA at high salt concentrations

    E-Print Network [OSTI]

    Maity, Arghya; Singh, Navin

    2015-01-01

    Cations present in the solution are important for the stability of two negative strands of DNA molecules. Experimental as well as theoretical results show that the DNA molecule is more stable as the concentration of salt (or cations) increases. It is known that the two strands of DNA molecule carry negative charge due to phosphate group along the strands. These cations act as a shielding particles to the two like charge strands. Recently, in an experiment it is shown that there is a critical value in the concentration of salts (or cations) that can stabilize the helical structure of DNA. If one add more salt in the solution beyond this critical value, the stability of the DNA molecule will disrupt. In this work we study the stability of DNA molecules at higher concentrations. How the stability at higher concentration can be explained through some theoretical calculations is the aim of this manuscript. We consider the PBD model with proper modifications that can explain the negative stability of the molecule a...

  2. Denaturation of DNA at high salt concentrations

    E-Print Network [OSTI]

    Arghya Maity; Amar Singh; Navin Singh

    2015-08-19

    Cations present in the solution are important for the stability of two negative strands of DNA molecules. Experimental as well as theoretical results show that the DNA molecule is more stable as the concentration of salt (or cations) increases. It is known that the two strands of DNA molecule carry negative charge due to phosphate group along the strands. These cations act as a shielding particles to the two like charge strands. Recently, in an experiment it is shown that there is a critical value in the concentration of salts (or cations) that can stabilize the helical structure of DNA. If one add more salt in the solution beyond this critical value, the stability of the DNA molecule will disrupt. In this work we study the stability of DNA molecules at higher concentrations. How the stability at higher concentration can be explained through some theoretical calculations is the aim of this manuscript. We consider the PBD model with proper modifications that can explain the negative stability of the molecule at higher concentration. Our findings are in close match with the experimental results.

  3. Synthesis of Aliphatic-Aromatic Copolyesters by a High Temperature

    E-Print Network [OSTI]

    Khan, Saad A.

    ceramic precur- sors, to supercritical CO2 under surface constraints yields microcellular polymeric foams(ferrocenylsilane) Ceramic Precursors Foamed in Supercritical CO2 D. J. Frankowski, S. Fournier-Bidoz, I. Manners,* G. A-constrained foaming of poly(ferrocenylsilane) ceramic precursor films with supercritical CO2 yields tunable

  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. ROMP Crosslinkers for the Preparation of Aliphatic Aerogels (Journal

    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 ConnectSpeedingConnect Pulse energy(Conference) |SciTechReport)RF-BasedArticle) |

  6. ROMP Crosslinkers for the Preparation of Aliphatic Aerogels (Journal

    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 ConnectSpeedingConnect Pulse energy(Conference) |SciTechReport)RF-BasedArticle)

  7. Feasibility study of a corn-to-ethanol plant in Sardis, Mississippi

    SciTech Connect (OSTI)

    Not Available

    1982-06-01

    A technical description of a chemical processing facility capable of producing 5 million gallons per year of denatured anhydrous ethanol (power alcohol) is presented. In addition, certain equipment options are evaluated on the basis of availability, reliability, and budget constraints. Analysis of logistics and sensitivity of financial decision making criteria to market variables is not within the scope of this study. Consequently, concluding statements are limited to a discussion of technical feasibility and a statement of capital cost for turn-key construction.

  8. Microscopic Mechanism for Cold Denaturation Cristiano L. Dias,1

    E-Print Network [OSTI]

    Grant, Martin

    of Western Ontario, London, Ontario, Canada 5 Institute of Physics, Tampere University of Technology, P

  9. Denaturant-dependent folding of GFP Govardhan Reddya

    E-Print Network [OSTI]

    Thirumalai, Devarajan

    as a marker in cell biology and biotechnology. Thermal and Guanidinium chloride (GdmCl) induced unfolding in free energy profiles projected along a few order parameters, are remarkably similar to those identified to theoretical developments (1­7), simula- tions (8­13), and advances in experimental methods (14­19). Indeed

  10. A microfluidic device for DNA sequencing by denaturation

    E-Print Network [OSTI]

    Walsh, Matthew Thomas

    2011-01-01

    a coverslip and a stainless steel plate ix that is encasedthat bonds together a coverslip and stainless steel block.The stainless steel serves as a corrosion resistant backing

  11. Self-protection analysis of denatured thorium-plutonium fuel

    E-Print Network [OSTI]

    Torres, Luis Alberto (Torres Mendoza)

    2010-01-01

    With growing demands for commercial nuclear power, there is also a growing need for better energy efficiency from nuclear power reactors. In order to reach a high burnup up to 100 MWd/kg, previous research has examined the ...

  12. Accident prevention and Clean Air Act Amendments of 1990 with particular reference to anhydrous hydrogen fluoride

    SciTech Connect (OSTI)

    Kaiser, G.D. (Science Applications International Corp., McLean, VA (United States))

    1993-07-01

    The sections of the Clean Air Act Amendments (CAAA) of 1990 that refer to accident prevention are to be found in Title III. Two significant requirements of the CAAA in this respect relate to the responsibilities of the Occupational Safety and Health Administration (OSHA), which has promulgated a new Process Safety Management (PSM) standard and the Environmental Protection Agency (EPA), which at the time of writing, is developing Risk Management Program (RMP) regulations. The focus of this paper is on how the requirements of the CAAA may affect the reasons for performing a Quantitative Risk Assessment (QRA) or may affect the results of QRA. In order to limit the discussion, this paper focuses on HF. First, the CAAA requires that the EPA assess the hazards associated with HF; the EPA's current draft report is discussed. Second, a generic assessment of the risks associated with the use of HF is given, with emphasis on alkylation units in refineries. The principal contributors to risk are listed. Finally, an assessment of OSHA's PSM standard 29 CFR 1910.119, the related requirements of state laws such as California's Risk Management and Prevention Program and the potential requirement of EPA's Risk Management Program are given, including an assessment of how these requirements may influence quantitative estimates of risk. 13 refs., 1 fig.

  13. A Review Of Water Contents Of Nominally Anhydrous Natural Minerals In The

    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:EAand Dalton JumpProgram |Recent Exploration Well Drilling and

  14. H Solid-State NMR Investigation of Structure and Dynamics of Anhydrous Proton Conducting Triazole-Functionalized Siloxane Polymers

    E-Print Network [OSTI]

    , renewable alternative energy sources, due to their high flexibility and their easy handling. One of the most- ena rely on these interactions.3 The motivating factor behind many of these studies is the structure

  15. A novel, easily synthesized, anhydrous derivative of phosphoric acid for use with electrolyte in phosphoric acid-based fuel cells.

    E-Print Network [OSTI]

    Angell, C. Austen

    that of any other type of fuel cell operating at 1 atm. pressure. Its voltage efficiency is also comparable in phosphoric acid-based fuel cells. Younes Ansari, Telpriore Tucker, and C. Austen Angell* Dept. of Chemistry as a fuel cell electrolyte, by designing a variant of the molecular acid that has increased temperature

  16. Project Profile: Thermochemical Storage with Anhydrous Ammonia: Optimizing the Synthesis Reactor for Direct Production of Supercritical Steam

    Broader source: Energy.gov [DOE]

    The Department of Energy's SunShot Initiative has made an award to University of California, Los Angeles (UCLA) through the Concentrating Solar Power: Efficiently Leveraging Equilibrium Mechanisms for Engineering New Thermochemical Storage (CSP: ELEMENTS) funding program.

  17. An investigation of some of the effects of anhydrous ammonia on the clay minerals montmorillonite and illite 

    E-Print Network [OSTI]

    Whiteley, Eli Lamar

    1959-01-01

    A survey of small, medium and large Nicaraguan producers indicated a heavy reliance on imported complete fertilizer. Analysis of soils sampled from the large-scale commercial producers found low P retention in the lowland heavy clay soils...

  18. Hydrogen bonding and solvation dynamics of n-methylacetamide in denatured water (D?O) or denatured chloroform (CDCl?) from nonlinear spectroscopy

    E-Print Network [OSTI]

    McCracken, Justine M. (Justine Meghan), 1979-

    2004-01-01

    Hydrogen bonding between N-methylacetamide (NMA) and different solvents (D?O or CDCl?) was studied by using two-dimensional infrared spectroscopy to probe the frequency fluctuations of the amide I mode of the solvated NMA. ...

  19. Synthesis Gas Conversion to Aliphatic Alcohols: Study of MoS2 catalytic systems

    E-Print Network [OSTI]

    Baksh, Faisal

    2010-04-19

    ?Setup:?Catalyst?synthesis?&?evaluation?..................................................................................?46? 2.1? Reactor?Unit?..........................................................................................................................................................?46? 2.1.1? Modifications?to?original?reactor...?of?Volatile?Components?...................................................................................................?49? 2.1.1.3? Analysis?at?reactor?exit?......................................................................................................................?51? 2.1.1.4? Exit...

  20. Secondary Organic Aerosol Formation from Primary Aliphatic Amines with Nitrate Radical

    E-Print Network [OSTI]

    Malloy, Q G J; Qi, L; Warren, B; Cocker III, D R; Erupe, M E; Silva, P J

    2009-01-01

    Manahan, S. E. : Environmental Chemistry, 4th Ed. , Lewis,Environmental Research and Technology (CE-CERT), Riverside, CA, USA 3 Department of Chemistry

  1. A quantitative genetics and ecological model system: Understanding the aliphatic glucosinolate biosynthetic network via QTLs

    E-Print Network [OSTI]

    Kliebenstein, Daniel

    in secondary chemistry in wild plants. The easy detection of numerous secondary metabolites makes them with environmental changes rather than escape to more favorable sites. Secondary metabolites are a large and diverse,000 secondary metabolites probably represents a minority of the total (Wink, 1988) with this large chemical

  2. A kinetic study of the reactions of diphenyldiazomethane with some aliphatic carboxylic acids 

    E-Print Network [OSTI]

    Hoefelmeyer, Albert Bernard

    1954-01-01

    ," Chemical Rubber Publishing Co., - l o v e . l PD 5 Vd e d . , NAIKc c R* 2. Kirk and D. F. uthmer, rdlnuycddopi..did:- '.'d" dd;Kur:v; :\\C.. Technology," The Inter science Encyclopedia Inc,, '.nU\\rs\\v* ;ViV:;' :d:dd,/d:db;':r Inc., New York, N. Y., 19U7.... Kirk and D. F. Qthmer, "Encyclopedia of Chemical Technology," The Interscience Encyclopedia Inc., Interscience Publishers, Inc., New York, N. Y., 1950* Vol. V; j A. Forziati, ?. Research Natl. Bur. Standards* 36* 129 (19U6); ^ S. Young* J. Chem. Soc...

  3. 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...

  4. Urea-Induced Denaturation of PreQ1Riboswitch Jeseong Yoon,

    E-Print Network [OSTI]

    Thirumalai, Devarajan

    between solutes in condensed media,13 it is remarkable that the hydrogen-bond network of aqueous water*, School of Computational Sciences, Korea Institute for Advanced Study, Seoul 130-722, Korea of RNA structures is mainly driven by the hydrogen-bonding and stacking interactions of urea

  5. DNA Sequencing With Sequenase Alkaline Denaturation of Plasmid dsDNA

    E-Print Network [OSTI]

    Aris, John P.

    volume of 30 µl with ddH2O. Set up in 0.5 ml tube. 2. Add 10 µl of 1 M NaOH. Vortex. Incubate at 25°C for 5 min. For plasmids > 5 kb, incubate at 37°C. 3. Add 60 µl of 4 M NH4OAc, pH 5. Vortex. Do not use pH 7 NH4OAc. 4. Add 250 µl of 100% EtOH. Vortex. Incubate at -70°C for 15 minutes (or more). 5. Spin

  6. Analysis of Bacterial Communities in Seagrass Bed Sediments by Double-Gradient Denaturing Gradient Gel Electrophoresis

    E-Print Network [OSTI]

    Sherman, Tim

    . Devereux1 (1) Office of Research and Development, US Environmental Protection Agency, NHEERL­Gulf Ecology. The work presented here investigated several factors and their impact on bacterial community diversity the waters contig- uous with the Gulf of Mexico in the USA. Seagrasses found in the northern Gulf of Mexico

  7. Toward a Taxonomy of the Denatured State: Small Angle Scattering Studies of Unfolded Proteins

    SciTech Connect (OSTI)

    Millett, I.S.; Doniach, S.; Plaxco, K.W. (Stanford); (UCSB)

    2005-02-15

    Despite the critical role the unfolded state plays in defining protein folding kinetics and thermodynamics (Berg et al., 2002; Dunker, 2002; Shortle, 2002; Wright and Dyson, 2002), our understanding of its detailed structure remains rather rudimentary; the heterogeneity of the unfolded ensemble renders difficult or impossible its study by traditional, atomic-level structural methods. Consequently, recent years have seen a significant expansion of small-angle X-ray and neutron scattering (SAXS and SANS, respectively) techniques that provide direct, albeit rotationally and time-averaged, measures of the geometric properties of the unfolded ensemble. These studies have reached a critical mass, allowing us for the first time to define general observations regarding the nature of the geometry - and possibly the chemistry and physics - of unfolded proteins.

  8. Dynamics of highly concentrated protein solutions around the denaturing Marcus Hennig,ab

    E-Print Network [OSTI]

    Schreiber, Frank

    is applicable to other colloid systems exhibiting both center-of-mass and internal dynamics. 1 Introduction addressed by simulation,15 concluding that crowding can enhance the structural stability, but experimentally are not clear. Only few experimental results on the microscopic dynamics of protein suspensions around

  9. Environmental Chamber Studies of Reduced Nitrogen Compounds Observed in Anthropogenic Emissions

    E-Print Network [OSTI]

    Price, Derek Jason

    2015-01-01

    of Secondary Aliphatic Amines with Hydroxyl and Nitrateof aliphatic amines with hydroxyl and nitrate radicals.of aliphatic amines with hydroxyl and nitrate radicals.

  10. 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

    and Background I. II. III. IV. II. Coal Liquefaction . •Coal Structure • • . Lewis Acid Catalysts. Scope andOrganic Structure of Bituminous Coal", Proceedings, Stanford

  11. 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

    ~, 1 (955). Cited' in Chemical Abstracts, S'0,-1l2:9'7e:' G.Weingarten, Abstract of Papers, American Chemical Society,Chemical Engineering, University of California, Berkeley, California 94720 ABSTRACT

  12. Application of organolithium compounds for the preparation of some aliphatic and alicyclic phosphines, phosphine oxides and phosphine sulfides 

    E-Print Network [OSTI]

    Screttas, Constantinos G

    1961-01-01

    Rhe ?iehaeli~baae rearrasgeseat gieee tertiary rhea@hiss said&i ~ Rhia roaeties, ?hieh ia the hseaoriaatios af 4i~ 55e 56 albglyheaphisitea, eaa be ah)as bg the fellewiag eve etaa tieses ~PR') ~ R~~ X ~ R R~'Kl + R~X Qsates%4cf JlhoejlholII, Q...

  13. 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

  14. 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

    and hydrogenolysis of coal. This type of reaction, however,types of liquid products that might be obtained from coal.types of aromatic rings present 1n short-contact time coal-

  15. 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

    of Solvent Refined Coal to Liquid Products, M.S. -Thesis,of Solvent Refined Coal to Liquid Products, M.S. The;is,Coal: Conversion of Coal into Liquids - Final Report,

  16. A study of the condensation of primary, secondary, and tertiary butyl alcohols with benzene in the presence of anhydrous ferric chloride 

    E-Print Network [OSTI]

    Dodson, Ralph Jordan

    1939-01-01

    with aresatio hg4rosoxboas aeso those shish ooataiao4 the QK greay aituate4 aloes be a 4oohlo boa4 (4) yatosse oa4 yileti, Xloyfer, 8K ~ 5I 5btV (1899) (V) 8ohlaa ao4 Kleyfor, Sar, , ~58 5150 (1899) ~ (8} Khstisoht ao4 PoLaositeh, ~, ~ 5104 (1909} (9...) Huetoa oa4 yx4o4ssouai ~ 5995 (1954) ~ Bootes, sosis, oa4 0roh~at, ibb4, ~ 1555 (195t) g Raelea oa4 Lssis, ~. ~ ~55 SSty (1951) g Rsstca os4 Boat, ~, ~ 1505 (1955}} ~ oa4 stsisuoe, ~b. , ~ 481' (1955} g Bustoa 0eamteat ea4 sasOaL11+ ibbL, ~58 4484...

  17. ANOMALOUS NITROGEN ISOTOPIC COMPOSITIONS IN THE STARDUST-RICH ANTARCTIC MICROMETEORITE T98G8: AFFINITIES TO PRIMITIVE CR CHONDRITES AND ANHYDROUS

    E-Print Network [OSTI]

    ANOMALOUS NITROGEN ISOTOPIC COMPOSITIONS IN THE STARDUST-RICH ANTARCTIC MICROMETEORITE T98G8, T98G8, exhibits high abundances of silicate stardust grains and also contains several C report on C and N isotopic distributions in T98G8 and explore the relationship of this micrometeorite

  18. Reconfiguration Dynamics in folded and intrinsically disordered protein with internal friction: Effect of solvent quality and denaturant

    E-Print Network [OSTI]

    Nairhita Samanta; Rajarshi Chakrabarti

    2015-06-01

    We consider a phantom chain model of polymer with internal friction in a harmonic confinement and extend it to take care of effects of solvent quality following a mean field approach where an exponent $\

  19. DOI: 10.1002/adma.200501918 Multiwalled Carbon Nanotubes Beaded with ZnO Nanoparticles

    E-Print Network [OSTI]

    Wei, Ji

    (SDS) followed by reaction of zinc acetate with lithium hy- droxide monohydrate in anhydrous ethanol

  20. A novel copper(II)-Schiff base complex containing pyrrole ring: Synthesis, characterization and its modified electrodes applied in oxidation of aliphatic alcohols

    E-Print Network [OSTI]

    Boyer, Edmond

    , ethanol and benzyl alcohol. The electro-reduction of carbon dioxide was also examined. Keywords: Copper] and carbon dioxide [9]. So, in continuation of our recent papers [10], we have undertaken a covalent grafting. Thus, conducting polymeric films of polypyrrole were obtained on the surfaces of glassy carbon and ITO

  1. Slide 1

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

    Plant * Water Treatment Building * Balance of Facilities Switchgear Building * Cooling Tower Facility * Anhydrous Ammonia Facility * Standby Diesel Generator Facility...

  2. Slide 1

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

    Plant - Water Treatment Building - Balance of Facilities Switchgear Building - Cooling Tower Facility - Anhydrous Ammonia Facility - Standby Diesel Generator Facility *...

  3. Semipermeable polymers and method for producing the same

    DOE Patents [OSTI]

    Buschmann, Wayne E

    2014-04-01

    A polyamide membrane including reaction product of an anhydrous solution comprising an anhydrous solvent, at least one polyfunctional secondary amine and a pre-polymer deposition catalyst, and an anhydrous, organic solvent solution comprising a polyfunctional aromatic amine-reactive reactant having one ring. A composite semipermeable membrane including the polyamide membrane on a porous support.

  4. New framework hydrous silicate K{sub 3}Sc[Si{sub 3}O{sub 9}] {center_dot} H{sub 2}O related to the high-temperature anhydrous silicate K{sub 3}Ho[Si{sub 3}O{sub 9}] and symmetry analysis of a phase transition with prediction of structures

    SciTech Connect (OSTI)

    Belokoneva, E. L., E-mail: elbel@geol.msu.ru; Zorina, A. P.; Dimitrova, O. V. [Moscow State University, Faculty of Geology (Russian Federation)

    2013-07-15

    Crystals of a new framework silicate K{sub 3}Sc[Si{sub 3}O{sub 9}] {center_dot} H{sub 2}O, space group Pm2{sub 1}n (nonstandard setting of space group Pmn2{sub 1} = C{sub 2v}{sup 7}), are obtained under hydrothermal conditions. The structure is determined without preliminary knowledge of the chemical formula. The absolute configuration is determined. The structure is close to that of the high-temperature K{sub 3}Ho[Si{sub 3}O{sub 9}] phase, which was obtained upon the heating of K{sub 3}HoSi{sub 3}O{sub 8}(OH){sub 2}. This structural similarity is due to the specific conditions of synthesis and an analogous formula, where holmium is replaced by scandium. A symmetry analysis shows that the high local symmetry of a block (rod) is responsible for the first-order phase transition of both the order-disorder (OD) and displacement type. The number of structures in which the simplest and high-symmetry layers are multiplied by different symmetry elements are predicted.

  5. Interface Induced Carbonate Mineralization: A Fundamental Geochemical...

    Office of Scientific and Technical Information (OSTI)

    Geochemical Process Relevant to Carbon Sequestration We have approached the long-standing geochemical question why anhydrous high-Mg carbonate minerals (i.e., magnesite and...

  6. Development of Cysteine Protease Inhibitors and Their Application Towards Huntington's Disease and Malaria Therapeutic Models

    E-Print Network [OSTI]

    Leyva, Melissa Jessica

    2010-01-01

    was provided by AllyChem Co. Ltd (Dalian, China). N-(9-provided by AllyChem Co. Ltd (Dalian, China). Anhydrous THF,

  7. General Methods for Syntheses MODIFY AS APPROPRIATE All chemicals were obtained from commercial suppliers and used

    E-Print Network [OSTI]

    Burgess, Kevin

    suppliers and used without further purification. Dichloromethane was obtained anhydrous by distillation over indicated. All chemicals were obtained from commercial suppliers and used without further purification. N2

  8. First Generation 50 MW OTEC Plantship for the Production of Electricity and Desalinated Water

    E-Print Network [OSTI]

    , the OC-OTEC plant makes use of low pressure steam generated in flash evaporators to drive steam turbine pressurized anhydrous ammonia as the working fluid to drive turbine-generators to produce electricity; and pressurized anhydrous ammonia as the working fluid to drive turbine- generators to produce electricity; and

  9. The impact of meteorological conditions and variation in chemical composition of aerosols on regional cloud formation

    E-Print Network [OSTI]

    Creamean, Jessie Marie

    2012-01-01

    modelling: a review, Atmospheric Chemistry and Physics, 5,aliphatic amines, Atmospheric Chemistry and Physics, 7 (9),of carbon monoxide, Atmospheric Chemistry and Physics,

  10. 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]

    Semprini, Lewis

    of groundwater plumes with contaminant con- centrations above the drinking water standards (Semprini, 1997 cometabolism of chlorinated aliphatic hydrocarbons (CAHs) is a promising technology for the remediation

  11. INDEX TO VOLUME 144 This index provides coverage for both the Initial Reports and Scientific Results

    E-Print Network [OSTI]

    of individuals, and routine front and back matter. The Subject Index follows a standard format. Geographic, authigenesis, B:465­466 aliphatic aci

  12. Molecular signature and sources of biochemical recalcitrance of organic C in Amazonian Dark Earths

    E-Print Network [OSTI]

    Lehmann, Johannes

    -C, aldehyde-C, ketonic-C and quinine-C, and (iii) diverse group of refractory aliphatic-C moieties. The SOC

  13. A Case for Safer Building Materials: Lifecycle Concerns, Data Gaps, and

    E-Print Network [OSTI]

    Lee, Seung-Wuk

    ;Conventional Building Materials · Wood · Stone · Cement · Metal · Glass · Straw · Ceramics #12;Synthetic;Volatile organic compounds (VOCs) · Aliphatic hydrocarbons, aromatic hydrocarbons, halogenated hydrocarbons

  14. Curriculum Vitae Abdulaziz Ahmed Bagabas

    E-Print Network [OSTI]

    Yaghi, Omar M.

    -investigator). IX. Synthesis of carbon nanotubes using chemical vapor deposition (CVD), characterization receiving the chemicals: I. Novel iron, cobalt, and nickel complexes based on aliphatic nitrogen ligands

  15. Molybdenum alkylidene complexes : syntheses and applications to olefin metathesis reactions

    E-Print Network [OSTI]

    Pilyugina, Tatiana

    2007-01-01

    Chapter 1. Alkylimido Molybdenum Complexes: Synthesis, Characterization and Activity as Chiral Olefin Metathesis Catalysts. Molybdenum olefin metathesis catalysts that contain previously unexplored aliphatic 1- ...

  16. University of California Radiation Laboratory Progress Report for November, 1947

    E-Print Network [OSTI]

    Perlman, I.

    2010-01-01

    ~raction Chemi~~! y': of Uranyl ~itrate into Ether:. SeveralpreparE Since anhydrous uranyl nitrate for use in the studyevacuation of the hydrated uranyl nitrate salts resulted in

  17. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    to Carbon Sequestration Teng, H. Henry ; Xu, Huifang We have approached the long-standing geochemical question why anhydrous high-Mg carbonate minerals (i.e., magnesite and...

  18. Enzymatic Synthesis of Unique Thymidine-Containing Polyphenols

    E-Print Network [OSTI]

    Wang, Ping

    including poly(trimethyleneimine),5 poly- (vinyl alcohol)s,6 poly(ethylenimine),7 and poly(vinyl- amine).8 acylation of thymidine at the 5-hydroxyl was achieved in nearly anhydrous CH3CN using the lipase from

  19. DEPARTMENT OF BIOLOGICAL SCIENCES CHEMICALS EXCLUDED FROM TRACKING

    E-Print Network [OSTI]

    Jia, Songtao

    Name CAS Number Ammonium iodide 12027064 Lithium acetate 546894 Potassium acetate 127082 Ammonium phosphate, dibasic 7783280 Lithium acetate, dihydrate 6108147 Potassium bicarbonate 298146 Ammonium silicate 10102257 Potassium phosphate, dibasic 7758114 Calcium acetate, anhydrous 62544 Lithium sulfate

  20. CX-012111: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Thermochemical Storage with Anhydrous Ammonia: Optimizing the Synthesis Reactor for Direct Production of Supercritical Steam CX(s) Applied: A9 Date: 05/06/2014 Location(s): California Offices(s): Golden Field Office

  1. volume 17 Number 12 1989 Nucleic Acids Research The 5S RNA gene minichromosome of Euplotes

    E-Print Network [OSTI]

    Olins, Ada L.

    extract and 1.33 g/L anhydrous sodium acetate. Algae were harvested and resuspended in Pringsheim solution boiled wheat seeds in Carolina Spring-water. Large-scale cultures of Euplotes were grown in trays

  2. Microsoft PowerPoint - 4-Presidents_2012_Budget_Request_format...

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

    Plant and the A h d A i F ili Anhydrous Ammonia Facility * Complete Title II CivilStructural design An overhead crane is installed in the Pretreatment Facility safety ...

  3. Structural carbohydrate availability with electrochemical ozonation and ammonia pressurization / depressurization pre-treatment technologies 

    E-Print Network [OSTI]

    Williams, James Jason

    1999-01-01

    Experiments were conducted to determine the quantity and conditions of electrochemical ozonation (O?) that maximize the dissolution of the lignin-cellulose complex. Combination treatments of anhydrous ammonia (NH?) and O? were also assessed...

  4. H A R V A R D U N I V E R S I T Y Environmental Health & Safety

    E-Print Network [OSTI]

    Prodię, Aleksandar

    avoid contact with strong dehydrating agents (concentrated sulfuric acid, anhydrous phosphorous methods to capture and contain vapors may be used in place of a perchloric acid hood. If you have been

  5. An integrated approach to predict ettringite formation in sulfate soils and identifying sulfate damage along SH 130 

    E-Print Network [OSTI]

    Sachin, Kunagalli Natarajan

    2005-02-17

    Expansive soils are treated with anhydrous or hydrated lime. The use of calcium-based stabilizers such as calcium oxide (lime) in sulfate-bearing clay soils has historically led to distress due to the formation of an ...

  6. A Low-Carbon Fuel Standard for California, Part 1: Technical Analysis

    E-Print Network [OSTI]

    Farrell, Alexander E.; Sperling, Dan

    2007-01-01

    M.Z. 2007. Effects of ethanol (E85) versus gasoline vehiclese.g. , E85 indicates 85% anhydrous ethanol by volume. Ine.g. , E85 actually contains roughly 81% ethanol), and in

  7. A Low-Carbon Fuel Standard for California Part 1: Technical Analysis

    E-Print Network [OSTI]

    2007-01-01

    M.Z. 2007. Effects of ethanol (E85) versus gasoline vehiclese.g. , E85 indicates 85% anhydrous ethanol by volume. Ine.g. , E85 actually contains roughly 81% ethanol), and in

  8. Integration of the Beta-Catenin-Dependent Wnt Pathway with Integrin Signaling through the Adaptor Molecule Grb2

    E-Print Network [OSTI]

    2009-01-01

    cultured on plastic or gelatin (denatured collagen). Thesedishes pre-coated with gelatin (Gibco, Grand Island, NY). Onwhen cells were plated on gelatin, possibly because cells

  9. Capitella in-situ hybridization protocol (Seaver Lab) Revised: 04/25/14

    E-Print Network [OSTI]

    Liao, James C.

    to speed up heating). - Turn heat block on and set to 80-90°C. - Denature probe at 80-90°C max for 10 min

  10. Life Cycle Regulation of Transportation Fuels: Uncertainty and its Policy Implications

    E-Print Network [OSTI]

    Plevin, Richard Jay

    2010-01-01

    results for E85 rather than for pure denatured ethanol. Theof ethanol would need to be sold in the form of E85. If so-

  11. Semipermeable polymers and method for producing same

    DOE Patents [OSTI]

    Buschmann, Wayne E. (Boulder, CO)

    2012-04-03

    A polyamide membrane comprising reaction product of an anhydrous solution comprising an anhydrous solvent, at least one polyfunctional secondary amine and a pre-polymer deposition catalyst; and an anhydrous, organic solvent solution comprising a polyfunctional aromatic amine-reactive reactant comprising one ring. A composite semipermeable membrane comprising the polyamide membrane on a porous support. A method of making a composite semipermeable membrane by coating a porous support with an anhydrous solution comprising an anhydrous solvent, a polyfunctional secondary amine and a pre-polymer deposition catalyst, to form an activated pre-polymer layer on the porous support and contacting the activated pre-polymer layer with an anhydrous, organic solvent solution comprising a polyfunctional amine-reactive reactant to interfacially condense the amine-reactive reactant with the polyfunctional secondary amine, thereby forming a cross-linked, interfacial polyamide layer on the porous support. A method of impregnating a composite semipermeable membrane with nanoparticles selected from heavy metals and/or oxides of heavy metals.

  12. Compositional differences in biomarker constituents of the hydrocarbon, resin, asphaltene and kerogen fractions

    E-Print Network [OSTI]

    Mills, Allen P.

    Compositional differences in biomarker constituents of the hydrocarbon, resin, asphaltene fraction, so biomarker parameters measured for different fractions are not directly comparable. The samples- tion are of equal magnitude to the quantities that are present in the extractable aliphatic hydrocarbon

  13. Contact: Clifford K. Ho, (505) 844-2384, ckho@sandia.gov 1 Updated 6/21/2002 Sandia National Laboratories--LDRD Fact Sheet

    E-Print Network [OSTI]

    Ho, Cliff

    -concentrator for enhanced detection capabilities. · Develop robust packaging system that allows the sensor to operate in wet), aliphatic hydrocarbons (e.g., hexane, octane), alcohols, ketones. Manual soil sampling, such as this hand

  14. 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

  15. Design and manipulation of 1-D rugate photonic crystals of porous silicon for chemical sensing applications

    E-Print Network [OSTI]

    King, Brian Henry

    2010-01-01

    diglycidyl ether of bisphenol-A) was provided by Reichhold,354 diglycidyl ether of bisphenol-F) and Novolac (D.E.N 438using a partially cured Bisphenol A epoxy/modified aliphatic

  16. Manipulation of surface chemistry and nanostructure in porous silicon-based chemical sensors

    E-Print Network [OSTI]

    Ruminski, Anne Marie

    2009-01-01

    diglycidyl ether of bisphenol-A) was provided by Reichhold,partially cured mixture of bisphenol A epoxy and modifiedusing a partially cured bisphenol A epoxy/modified aliphatic

  17. Microbial dynamics during intrinsic remediation of oil contaminated coastal wetland sediments (a microcosm study) 

    E-Print Network [OSTI]

    Thornburg, Nathaniel David

    2001-01-01

    was observed throughout the experiment, illustrating that oil was being intrinsically remediated. Kinetic analysis showed that the aliphatic and aromatic hydrocarbons had a half-life of 18 and 56 days, respectively. While MPN and GC-MS analysis showed...

  18. Kinetics of Ion Removal from an Iron-Rich Industrial Coproduct: H. Sulfate Yigal Salingar, Donald L. Sparks,* and John D. Pesek

    E-Print Network [OSTI]

    Sparks, Donald L.

    of water quality, often yielding high acidity and concentrations of metals and SO4.Such pyrite weathering (1990) investigated the influence of naturally occurring aliphatic acids on the kinetics of A1and SO4

  19. Process for reducing organic compounds with calcium, amine, and alcohol

    DOE Patents [OSTI]

    Benkeser, R.A.; Laugal, J.A.; Rappa, A.

    1985-08-06

    Olefins are produced by contacting an organic compound having at least one benzene ring with calcium metal, ethylenediamine, a low molecular weight aliphatic alcohol, and optionally a low molecular weight aliphatic primary amine, and/or an inert, abrasive particulate substance. The reduction is conducted at temperatures ranging from about [minus]10 C to about 30 C or somewhat higher. Substantially all of the organic compounds are converted to corresponding cyclic olefins, primarily diolefins.

  20. Process for reducing organic compounds with calcium, amine, and alcohol

    DOE Patents [OSTI]

    Benkeser, Robert A. (West Lafayette, IN); Laugal, James A. (Lostant, IL); Rappa, Angela (Baltimore, MD)

    1985-01-01

    Olefins are produced by contacting an organic compound having at least one benzene ring with calcium metal, ethylenediamine, a low molecular weight aliphatic alcohol, and optionally a low molecular weight aliphatic primary amine, and/or an inert, abrasive particulate substance. The reduction is conducted at temperatures ranging from about -10.degree. C. to about 30.degree. C. or somewhat higher. Substantially all of the organic compounds are converted to corresponding cyclic olefins, primarily diolefins.

  1. Decontamination performance of selected in situ technologies for jet fuel contamination. Master's thesis

    SciTech Connect (OSTI)

    Chesley, G.D.

    1993-01-01

    Specific study of jet fuel is warranted because of the quantitive and qualitative component differences between jet fuel and other hydrocarbon fuels. Quantitatively, jet fuel contains a larger aliphatic or saturate fraction and a smaller aromatic fraction than other fuels (i.e. heating oil and diesel oil) in the medium-boiling-point-distillate class of fuels. Since the aliphatic and aromatic fractions of fuel are not equally susceptible to biodegradation, jet fuel decontamination using biodegradation may be different from other fuels.

  2. Effects of torrefaction and densification on switchgrass pyrolysis products

    SciTech Connect (OSTI)

    Yang, Zixu; Sarkar, Madhura; Kumar, Ajay; Tumuluru, Jaya Shankar; Huhnke, Raymond L.

    2014-12-01

    Abstract The pyrolysis behaviors of four types of pretreated switchgrass (torrefied at 230 and 270 °C, densification, and torrefaction at 270 ŗC followed by densification) were studied at three temperatures (500, 600, 700 ŗC) using a pyroprobe attached to a gas chromatogram mass spectroscopy (Py-GC/MS). The torrefaction of switchgrass improved its oxygen to carbon ratio and energy content. Contents of anhydrous sugars and phenols in pyrolysis products of torrefied switchgrass were higher than those in pyrolysis products of raw switchgrass. As the torrefaction temperature increased from 230 to 270 °C, the contents of anhydrous sugars and phenols in pyrolysis products increased whereas content of guaiacols decreased. High pyrolysis temperature (600 and 700 °C as compared to 500 °C) enhanced decomposition of lignin and anhydrous sugars, leading to increase in phenols, aromatics and furans. Densification enhanced depolymerization of cellulose and hemicellulose during pyrolysis.

  3. Effects of torrefaction and densification on switchgrass pyrolysis products

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

    Yang, Zixu; Sarkar, Madhura; Kumar, Ajay; Tumuluru, Jaya Shankar; Huhnke, Raymond L.

    2014-12-01

    Abstract The pyrolysis behaviors of four types of pretreated switchgrass (torrefied at 230 and 270 °C, densification, and torrefaction at 270 ŗC followed by densification) were studied at three temperatures (500, 600, 700 ŗC) using a pyroprobe attached to a gas chromatogram mass spectroscopy (Py-GC/MS). The torrefaction of switchgrass improved its oxygen to carbon ratio and energy content. Contents of anhydrous sugars and phenols in pyrolysis products of torrefied switchgrass were higher than those in pyrolysis products of raw switchgrass. As the torrefaction temperature increased from 230 to 270 °C, the contents of anhydrous sugars and phenols in pyrolysis productsmore »increased whereas content of guaiacols decreased. High pyrolysis temperature (600 and 700 °C as compared to 500 °C) enhanced decomposition of lignin and anhydrous sugars, leading to increase in phenols, aromatics and furans. Densification enhanced depolymerization of cellulose and hemicellulose during pyrolysis.« less

  4. Dehydration of plutonium or neptunium trichloride hydrate

    DOE Patents [OSTI]

    Foropoulos, J. Jr.; Avens, L.R.; Trujillo, E.A.

    1992-03-24

    A process is described for preparing anhydrous actinide metal trichlorides of plutonium or neptunium by reacting an aqueous solution of an actinide metal trichloride selected from the group consisting of plutonium trichloride or neptunium trichloride with a reducing agent capable of converting the actinide metal from an oxidation state of +4 to +3 in a resultant solution, evaporating essentially all the solvent from the resultant solution to yield an actinide trichloride hydrate material, dehydrating the actinide trichloride hydrate material by heating the material in admixture with excess thionyl chloride, and recovering anhydrous actinide trichloride.

  5. Damage due to salt crystallization in porous media

    E-Print Network [OSTI]

    Noushine Shahidzadeh Bonn; Francois Bertrand; Daniel Bonn

    2009-06-13

    We investigate salt crystallization in porous media that can lead to their disintegration. For sodium sulfate we show for the first time experimentally that when anhydrous crystals are wetted with water, there is very rapid growth of the hydrated form of sulfate in clusters that nucleate on anhydrous salt micro crystals. The molar volume of the hydrated crystals being four times bigger, the growth of these clusters can generate stresses in excess of the tensile strength of the stone and lead therefore to damage.

  6. Synthesis of ethyl N-carbobenzoxy-L-valyl-L-valyl-4-amino-3-hydroxyoctanoate 

    E-Print Network [OSTI]

    Chesky, Elizabeth Gourley

    1982-01-01

    with 5X citric acid to pH 5. The aqueous layer was then extracted several times with ethyl acetate. The com- bined organic layer was dried over anhydrous magnesium sulfate and the solvent was removed by evaporation in vacuo. The product was a clear.../ sodium bicarbonate, dried with 29 anhydrous magnesium sulfate, and concentrated by evaporation in vacuo. The product was a pale yellow oil weighing 0. 6 gm (81K yield). The material was passed through a short column of silica gel, eluting with 2...

  7. Dehydration of plutonium or neptunium trichloride hydrate

    DOE Patents [OSTI]

    Foropoulos, Jr., Jerry (Los Alamos, NM); Avens, Larry R. (Los Alamos, NM); Trujillo, Eddie A. (Espanola, NM)

    1992-01-01

    A process of preparing anhydrous actinide metal trichlorides of plutonium or neptunium by reacting an aqueous solution of an actinide metal trichloride selected from the group consisting of plutonium trichloride or neptunium trichloride with a reducing agent capable of converting the actinide metal from an oxidation state of +4 to +3 in a resultant solution, evaporating essentially all the solvent from the resultant solution to yield an actinide trichloride hydrate material, dehydrating the actinide trichloride hydrate material by heating the material in admixture with excess thionyl chloride, and recovering anhydrous actinide trichloride is provided.

  8. Control of Crosslinking for Tailoring Collagen-based Scaffolds Stability and Mechanics

    E-Print Network [OSTI]

    Davidenko, N.; Schuster, C. F.; Bax, D. V.; Raynal, N.; Farndale, R. W.; Best, S. M.; Cameron, R. E.

    2015-07-26

    in an aqueous environment. We demonstrate this with a detailed and systematic study by comparing scaffolds made from (a) collagen from two different suppliers, (b) gelatin (a partially denatured collagen) and (c) 50% collagen-50% gelatin mixtures. The materials...

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

    E-Print Network [OSTI]

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

  10. Fracturing Fluid Cleanup by Controlled Release of Enzymes from Polyelectrolyte Complex Nanoparticles

    E-Print Network [OSTI]

    Barati Ghahfarokhi, Reza

    2010-12-10

    , or failure to gel; denaturation of enzymes at alkaline pH and high temperature conditions can also limit their applicability. In this study, application of polyelectrolyte nanoparticles for entrapping, carrying, releasing and protecting enzymes for fracturing...

  11. A CD19/Fc fusion protein for detection of anti-CD19 chimeric antigen receptors.

    E-Print Network [OSTI]

    De Oliveira, Satiro N; Wang, Jiexin; Ryan, Christine; Morrison, Sherie L; Kohn, Donald B; Hollis, Roger P

    2013-01-01

    Oliveira et al. : A CD19/Fc fusion protein for detection ofof the CD19-IgG 1 Fc fusion was performed under denatur- ingOpen Access A CD19/Fc fusion protein for detection of anti-

  12. A CD19/Fc fusion protein for detection of anti-CD19 chimeric antigen receptors

    E-Print Network [OSTI]

    De Oliveira, Satiro N; Wang, Jiexin; Ryan, Christine; Morrison, Sherie L; Kohn, Donald B; Hollis, Roger P

    2013-01-01

    Oliveira et al. : A CD19/Fc fusion protein for detection ofof the CD19-IgG 1 Fc fusion was performed under denatur- ingOpen Access A CD19/Fc fusion protein for detection of anti-

  13. ALS Capabilities Reveal How Like Can Attract Like

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

    salt-guanidinium chloride-is widely used by scientists to denature proteins for protein-folding studies. This practice dates back to the late 19th century when the Czech...

  14. Binary polypeptide system for permanent and oriented protein immobilization

    E-Print Network [OSTI]

    Ferrari, Enrico; Darios, Frederic; Zhang, Fan; Niranjan, Dhevahi; Bailes, Julian; Soloviev, Mikhail; Davletov, Bazbek

    2010-05-12

    , enzymes resistant to denaturants, acidic or alkaline con- ditions are catching attention due to their ability to accel- erate reactions in the food and paper industry and in toxic waste removal. Clearly, to better exploit the poten- tial of recombinant...

  15. Enzymatic Digestion in Aqueous-Organic Solvents: A Mass Spectrometry-Based Approach in Monitoring Protein Conformation Changes 

    E-Print Network [OSTI]

    Tuvilla, Mavreen Rose

    2013-05-08

    -organic solvent systems. The technique involved trypsin digestion and generation of peptide mass maps. For cytochrome c, the experiments were done with ethanol, methanol and acetonitrile to gain insights on naturation and denaturation. An apparent solvent effect...

  16. Cycloamylose as an ecient articial chaperone for protein refolding Sachiko MachidaaY

    E-Print Network [OSTI]

    Lebendiker, Mario

    denatured protein. A number of in vitro aggregation inhibitors or fold- ing aids such as polyethylene glycol, the aggregation of proteins is prevented by the addition of detergent molecules, which presumably shields

  17. ALS Capabilities Reveal How Like Can Attract Like

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

    whose salt-guanidinium chloride-is widely used by scientists to denature proteins for protein-folding studies. This practice dates back to the late 19th century when the Czech...

  18. On single-molecule DNA sequencing with atomic force microscopy using functionalized carbon nanotube probes

    E-Print Network [OSTI]

    Burns, Daniel James

    2004-01-01

    A novel DNA sequencing method is proposed based on the specific binding nature of nucleotides and measured by an atomic force microscope (AFM). A single molecule of DNA is denatured and immobilized on an atomically fiat ...

  19. Effects of prebiotics on growth performance, nutrient utilization and the gastrointestinal tract microbial community of hybrid striped bass (Morone chrysops x M. saxatilis) and red drum (Sciaenops ocellatus) 

    E-Print Network [OSTI]

    Burr, Gary Stephen

    2009-05-15

    ), and inulin/ fructooligosaccharide (FOS)--on the gastrointestinal (GI) tract’s microbial community in hybrid striped bass and red drum. The first in vitro experiment applied denaturing gradient gel electrophoresis (DGGE) to examine responses of red drum GI...

  20. Functional proteomics in Escherichia coli 

    E-Print Network [OSTI]

    Champion, Matthew Maurice

    2006-04-12

    -state of E. coli corresponding to hundreds of unique gene products. The copurification of proteins when fractionated at varying pHs could suggest the components of higher order complexes. This non-denaturing proteomic approach should provide physiological...

  1. The use of PCR-based methodologies to characterize salmonella serotypes of poultry origin 

    E-Print Network [OSTI]

    Anderson, Phelue Nigel

    2009-05-15

    Three studies were conducted to investigate the use of molecular techniques to identify Salmonella serotypes in poultry. In the first experiment, two polymerase chain reaction (PCR)-based techniques: denaturing gradient gel electrophoresis (DGGE...

  2. Experimental and Modeling Study of the Flammability of Fuel Tank Headspace Vapors from High Ethanol Content Fuels

    SciTech Connect (OSTI)

    Gardiner, D.; Bardon, M.; Pucher, G.

    2008-10-01

    Study determined the flammability of fuel tank headspace vapors as a function of ambient temperature for seven E85 fuel blends, two types of gasoline, and denatured ethanol at a low tank fill level.

  3. Comparison of soy protein concentrates produced by membrane filtration and acid precipitation 

    E-Print Network [OSTI]

    Kim, Hyun Jung

    2003-01-01

    The recovery of proteins using ultrafiltration (UF) process is an attractive alternative compared to conventional acid precipitation method. The mild processing condition, which leads to less protein denaturation, may be ...

  4. Synthesis of pore-variable mesoporous CdS and evaluation of its photocatalytic activity in degrading methylene blue

    SciTech Connect (OSTI)

    Zhang, Wei-Min; Jiang, Yao-Quan; Cao, Xiao-Yan; Chen, Meng; Ge, Dong-Lai; Sun, Zhong-Xi

    2013-10-15

    Graphical abstract: - Highlights: • Self-templated synthesis of tubular CdS. • Cadmium complexes of aliphatic acids sustain the network of mesoporous structures. • Aliphatic acids affect the phase composition and particle size. • Pore size and volume vary with aliphatic acids having different hydrocarbonyl. - Abstract: In this study, mesoporous CdS polycrystallites have been synthesized using aliphatic acids of hexanoic acid, octanoic acid, and oleic acid as coordinating and capping agents, respectively. The fibrous Cd–fatty acid salts act as a template to form the tubular CdS. The organic species are found to be necessary for maintaining the network of mesoporous CdS. The characterization results indicate that the shorter carbon chain length in aliphatic acids favors the wurtzite phase and particle size growth the specific surface area, pore diameter and pore volume show a monotonic raise with increasing carbon chain. The photocatalytic activities of mesoporous CdS tubes exhibit much higher efficiency than those of nanosized CdS powders in decolorizing methylene blue under simulated visible light.

  5. First Generation 50 MW OTEC Plantship for the Production of Electricity and Desalinated Water

    E-Print Network [OSTI]

    OTC 20957 First Generation 50 MW OTEC Plantship for the Production of Electricity and Desalinated for presentation at the 2010 Offshore Technology Conference held in Houston, Texas, USA, 3­6 May 2010. This paper pressurized anhydrous ammonia as the working fluid to drive turbine-generators to produce electricity; and

  6. IDS Business Support, Communications and

    E-Print Network [OSTI]

    and eventually S4 and transport this heat to the PV radiators (located on P4, P6, S4 and S6) where it is rejected the working fluid, anhydrous ammonia, via the Pump and Flow Control Subassembly (PFCS), and rejects heat Architecture Most of the Station's many systems produce waste heat, which needs to be transferred from the ISS

  7. The system silver fluoride - hydrogen fluoride - water at zero degrees centigrade and at minus fifteen degrees centigrade 

    E-Print Network [OSTI]

    Thomas, Hiram Jack

    1959-01-01

    Q the. ~ateia qo5he fiuox'lde- kydrogen f1uortd~ter at sero and ninne 1'ifteen degreea ientigrade, 4 grdrofluorio acid, anhydrous, (HP'? Qeners1 Chemica1? Reagent Crade)? hydrofluoric acid? ?queous? (HF/ Aes? IhdcNr and Adsmson, , Reagent Credo...

  8. (Created 1/02; Revised 5/05, 5/08, 7/12) UNL Environmental Health and Safety (402) 472-4925 http://ehs.unl.edu

    E-Print Network [OSTI]

    Tsymbal, Evgeny Y.

    are particularly susceptible to access and should be locked at all times. · Storage vessels, such as fuel tanks, anhydrous ammonia tanks, etc., should be equipped with locking mechanisms to prevent theft. When possible · (402) 472-4925 · http://ehs.unl.edu Use, and Storage and Door Postings for Potentially Hazardous

  9. Fertilizer Facts: May 1996, Number 8 Nitrogen Fertilizer Materials

    E-Print Network [OSTI]

    Lawrence, Rick L.

    moisture from air Anhydrous ammonia (AA) · Colorless gas · Sharp, pungent, noxious odor · 82% N · Gas at normal pressure · Liquid when pressurized for transport and storage · 265 psi minimum working pressure moisture · Clay soils trap ammonia better than sandy soils Nitrogen solutions and suspensions (NSOL

  10. 2015 NIST EPO No. 26 LPG Liquid Measuring Systems (Rev (09/14) Page 1 of 6

    E-Print Network [OSTI]

    particular attention to the condition of the product storage tank and valves. - Check to be certain around in wet, slippery areas and in climbing on prover, storage tanks, and vehicles. - Use personal for the type of inspection activity. H-44 General Code and LPG and Anhydrous Ammonia LMD Code References - 2015

  11. Published: November 04, 2011 r 2011 American Chemical Society 14331 dx.doi.org/10.1021/jp2070216 |J. Phys. Chem. A 2011, 115, 1433114339

    E-Print Network [OSTI]

    Epstein, Irving R.

    of particular interest because of its biological importance. In humans and animals, the L-lactate ion as a key intersection of several metabolic pathways that include carbohydrate digestion and energy-lactic acid a enolate ion a D-lactic acid š1Ž In anhydrous media and in the presence of trace amounts of water

  12. EARTH'S DEEP WATER CYCLE Steven D. Jacobsen and Suzan van der Lee

    E-Print Network [OSTI]

    van der Lee, Suzan

    CONTENTS EARTH'S DEEP WATER CYCLE Preface Steven D. Jacobsen and Suzan van der Lee I. Overviews Nominally Anhydrous Minerals and Earth's Deep Water Cycle Joseph R. Smyth and Steven D. Jacobsen Seismological Constraints on Earth's Deep Water Cycle Suzan van der Lee and Doug Wiens II. Water Storage

  13. Damage in porous media due to salt crystallization

    E-Print Network [OSTI]

    Noushine Shahidzadeh-Bonn; Julie Desarnaud; Franēois Bertrand; Xavier Chateau; Daniel Bonn

    2010-07-13

    We investigate the origins of salt damage in sandstones for the two most common salts: sodium chloride and sulfate. The results show that the observed difference in damage between the two salts is directly related to the kinetics of crystallization and the interfacial properties of the salt solutions and crystals with respect to the stone. We show that, for sodium sulfate, the existence of hydrated and anhydrous crystals and specifically their dissolution and crystallization kinetics are responsible for the damage. Using magnetic resonance imaging and optical microscopy we show that when water imbibes sodium sulfate contaminated sandstones, followed by drying at room temperature, large damage occurs in regions where pores are fully filled with salts. After partial dissolution, anhydrous sodium sulfate salt present in these regions gives rise to a very rapid growth of the hydrated phase of sulfate in the form of clusters that form on or close to the remaining anhydrous microcrystals. The rapid growth of these clusters generates stresses in excess of the tensile strength of the stone leading to the damage. Sodium chloride only forms anhydrous crystals that consequently do not cause damage in the experiments.

  14. Supporting Information Direct measurements of electric fields in weak OH hydrogen bonds

    E-Print Network [OSTI]

    Boxer, Steven G.

    ). Methanol-d4 (99.6%) was ordered from Acros Organics (Geel, Belgium). Dry phenol was dissolved under nitrogen atmosphere in different substituted anhydrous liquid benzene derivatives to form phenol/aromatic as electron-donating groups were toluene, para- xylene and mesitylene. To form weaker phenol/aromatic

  15. En vue de l'obtention du DOCTORAT DE L'UNIVERSIT DE TOULOUSEDOCTORAT DE L'UNIVERSIT DE TOULOUSE

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    phase for the permanent sequestration of CO2 as carbonate minerals. Experimental determination for CO2 sequestration as dissolved alkalinity in deep aquifers where carbonate minerals are major Magnesite (MgCO3) is the stable anhydrous member of a series of Mg-carbonates with different degrees

  16. An In Vitro Assay for Cdc20-Dependent Mitotic Anaphase-Promoting Complex Activity from Budding Yeast

    E-Print Network [OSTI]

    Murray, Andrew W.

    TM Peptone (VWR International, PA), and 25 g BactoTM Yeast Extract (VWR International, PA) in 2.5 L water in this proto- col are to induce a cell cycle arrest, to harvest the cells, to purify the APC, to synthesize, and Harvesting Cells 1. Yeast Medium (YPD): 50 g dextrose, anhydrous, powder (VWR International, PA), 50 g Bacto

  17. (Created 2/08) UNL Environmental Health and Safety (402) 472-4925 http://ehs.unl.edu

    E-Print Network [OSTI]

    Tsymbal, Evgeny Y.

    trifluoride, boron trichloride, nitrobenzene, cyanogen bromide, and certain gases, among others. In non-laboratory settings, chlorine gas and anhydrous ammonia are common. A complete list of COCs can be found in Appendix COCs. Non-Laboratory Facilities/Areas Propane, chlorine gas, and ammonium nitrate are listed COCs

  18. Bernard J. Wood Jonathan D. Blundy A predictive model for rare earth element partitioning

    E-Print Network [OSTI]

    van Westrenen, Wim

    of natural compositions. Propagating Dqf into the Brice model we obtain an expression for h3 o in terms and anhydrous silicate melt as a function of pressure , temperature and bulk composition . The model is based is the Young's Modulus of the site, is the gas constant and is in K. Values of iM2 obtained by ®tting

  19. Energy, Carbon Dioxide and Water Use Implications of Hydrous Ethanol Production

    E-Print Network [OSTI]

    Saffy, Howard A.; Northrop, William; Kittelson, David; Boies, Adam M.

    2015-08-24

    than anhydrous ethanol. In this study, we investigate corn ethanol production from a dry-mill, natural gas-fired corn ethanol refinery, producing ethanol with a range of ethanol concentrations from 58°wt% - 100°wt% to determine the effect on energy use...

  20. arXiv:hepex/0109015 CLNS 01/1754

    E-Print Network [OSTI]

    -end sig- nal processing chips, with a combined power output of #24;360 W. The drift chamber's heat sources coolant-control platforms provides independent and regulated heat removal from four recently upgraded: the suitability of using the aliphatic-hydrocarbon solvent PF TM -200IG as a heat-transfer uid, the sensor

  1. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, Aug. 1993, p. 2380-2387 Vol. 59, No. 8 0099-2240/93/082380-08$02.00/0

    E-Print Network [OSTI]

    Hazen, Terry

    was degraded at various rates by most of the sMMO-producing isolates, whereas PCE was not degraded. Savannah of indigenous methanotrophic communities can be efficacious for removal of chlorinated aliphatic hydrocarbons, subsurface microorganisms carry out the cycling of carbon, nitrogen, sulfur, manganese, iron, and phosphorus

  2. Acetylene Inhibition of Trichloroethene and Vinyl Chloride

    E-Print Network [OSTI]

    Semprini, Lewis

    the biological transformation of VC to ethene. Introduction Chlorinated aliphatic hydrocarbons (CAHs lost their ability to degrade PCE. These results suggested that more than two dehalogenating microorganisms were responsible for the complete transformation of PCE to ethene (4). By examining anaerobic

  3. 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

  4. PHONON DISPERSION CURVES OF ORDERED PHASES OF T.B.B.A. Abstract. --The lattice dynamics of a deuterated single crystal of T.B.B.A. have been measured

    E-Print Network [OSTI]

    Boyer, Edmond

    of a deuterated single crystal of T.B.B.A. have been measured by mean of inelastic neutron scattering of the molecules. Previous neutron inelastic scattering measurements have been done on non-deuterated single of a melting of the terminal aliphatic chains. So neutron coherent inelastic scattering measure- ments have

  5. Evaluation of biological treatment for the degradation of petroleum hydrocarbons in a wastewater treatment plant 

    E-Print Network [OSTI]

    Basu, Pradipta Ranjan

    2005-08-29

    . Samples were taken for two seasons, winter (Nov 03 ?? Jan 03) and summer (Jun 04 ?? Aug 04), from each of the four treatment units: the inlet tank, equalization tank, aeration tank and the outfall tank. The population of aliphatic hydrocarbon degraders...

  6. 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

  7. 4858 J. Am. Chem. SOC.1994, 116, 4858-4865 Lanthanide-Cyclodextrin Complexes as Probes for Elucidating

    E-Print Network [OSTI]

    Bogyo, Matthew

    of phenyl and naphthyl rings in aqueous solutions' and hydrophobic aliphatic chains.2 Cyclo- dextrin the formation of hydrogen bonds between the substrate and cyclodextrin. The proximity of hydrogen of determining enantiomeric excess.613 Abstract published in Advance ACS Abstracts, May 1, 1994. (1) Armstrong

  8. Process for the extraction of strontium from acidic solutions

    DOE Patents [OSTI]

    Horwitz, E.P.; Dietz, M.L.

    1993-01-01

    The invention is a process for selectively extracting strontium values from aqueous nitric acid waste solutions containing these and other fission product values. The extractant solution is a macrocyclic polyether in an aliphatic hydrocarbon diluent containing a phase modifier. The process will selectively extract strontium values from nitric acid solutions which are up to 6 molar in nitric acid.

  9. Correlated microanalysis of cometary organic grains returned by Stardust Bradley T. De GREGORIO1,2*

    E-Print Network [OSTI]

    Nittler, Larry R.

    of this chemical variety may be due to contamination or alteration during particle capture in aerogel. We matter infilling densified silica aerogel. Aliphatic organic matter from Track 16 was also observed not be clearly distinguished from carbonaceous contaminants known to be present in the Stardust aerogel collector

  10. 934 / JOURNAL OF ENVIRONMENTAL ENGINEERING / OCTOBER 2000 CHLORINATED SOLVENT COMETABOLISM BY BUTANE-GROWN

    E-Print Network [OSTI]

    Semprini, Lewis

    BY BUTANE-GROWN MIXED CULTURE By Young Kim,1 Daniel J. Arp,2 and Lewis Semprini3 ABSTRACT: A survey of aerobic cometabolism of chlorinated aliphatic hydrocarbons by a butane-grown mixed culture was performed and was inhibited by butane and inactivated by acetylene, indicating that a monooxygenase enzyme was likely involved

  11. Coal liquefaction process using pretreatment with a binary solvent mixture

    DOE Patents [OSTI]

    Miller, Robert N. (Allentown, PA)

    1986-01-01

    An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300.degree. C. before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil.

  12. An experimental and theoretical study of the reaction of ethynyl radicals with nitrogen dioxide ,,HCCCNO2...

    E-Print Network [OSTI]

    Nguyen, Minh Tho

    ; accepted 18 March 2003 A pulsed laser photolysis/chemiluminescence PLP/CL technique was used to determine known to play a major role in the high-temperature chemistry of combustion,13,14 where it is linked precursors of soot particles in aliphatic hydrocarbon fuel combustion. Besides C2H formation in flames by H

  13. Seasonal and diurnal variations of submicron organic aerosol in Tokyo observed using the Aerodyne aerosol mass spectrometer

    E-Print Network [OSTI]

    Jimenez, Jose-Luis

    with carbon monoxide (CO) and fragments of aliphatic and oxygenated organic compounds in the AMS mass spectra. Combustion-related organic aerosol (combustion OA) is defined as the primary organic aerosol (POA) fraction the combustion OA and the background OA from the total OA. The combustion OA and excess OA show good correlation

  14. Pressure-controlled injection of guar gum stabilized microscale zerovalent iron for groundwater remediation

    E-Print Network [OSTI]

    Cirpka, Olaf Arie

    project AQUAREHAB in a site in Belgium contaminated by chlorinated aliphatic hydrocarbons (CAHs in the laboratory based on several tests (reactivity tests towards contaminants, sedimentation tests and rheological injection step rate tests, one performed with water and the other one with guar gum. Based on laboratory

  15. Biochemical Engineering Journal 38 (2008) 219225 Bioavailability of PCBs in biphasic bioreactors

    E-Print Network [OSTI]

    Daugulis, Andrew J.

    2008-01-01

    to their widespread use in industrial applications, often found at PCB contaminated sites [8]. These hydrocarbons can and physiochem- ical factors. Short chain aliphatic hydrocarbons are significantly more soluble in water than PCB 2007 Abstract Polychlorinated biphenyls (PCBs) are xenobiotic and toxic contaminants of soil

  16. Utilization of Cathodic Hydrogen as Electron Donor for Chloroform

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    bacteria may have significant practical implica- tions. Introduction Chlorinated aliphatic hydrocarbons (CAHs) are frequent groundwater contaminants (1). They are susceptible to biotransformations catalyzed existwithregardtotheuseofhydrogenduetoitslowsolubility in water, about 1.6 mg/L at 20 °C, based on a Henry's constant of 6.83 × 104 atm/mol (16). One way

  17. Anaerobic Reductive Dechlorination of 1-Chloro-1-fluoroethene To Track

    E-Print Network [OSTI]

    Semprini, Lewis

    surrogate for evaluating the rates of VC transformation. Introduction Chlorinated aliphatic hydrocarbons observed in CAH-contaminated groundwater, and this limits the usefulness of anaerobic biotransformation carcinogen and has the lowest drinking water standard (2 µg/L) (3). VC transformation to ethene is generally

  18. Treatment of Chlorinated Solvents by Nitrogen-Fixing and

    E-Print Network [OSTI]

    Chu, Kung-Hui "Bella"

    ). Therefore, effective contaminant destruction approaches such as in-situ vadose zone bioremediation or above of ground- water contaminants including aliphatic, aromatic, and halogenated hydrocarbons (3 bioremediation for the treatment of chlorinated solvents at Savannah River (6, 7). At this site, nitrogen

  19. Nanoparticles designed from low pressure plasmas as identification tool for astrophysical observations

    E-Print Network [OSTI]

    Paris-Sud XI, UniversitƩ de

    interstellar media. The particles were polymerised in a low pressure capacitively coupled radio-frequency molecule production and reprocesses UV and optical radiation. The C-H stretch vibration of aliphatic coupled the radiofrequency discharge in argon/acetylene mixtures [Kovacevic submitted]. The particles

  20. "Humic Coverage Index" as a Determining Factor Governing

    E-Print Network [OSTI]

    Muzzio, Fernando J.

    "Humic Coverage Index" as a Determining Factor Governing Strain-Specific Hydrocarbon Availability, the "humic coverage index" (HCI), provides a measurement of the relative spatial extents and/or thicknesses to modeling biodegradation of aromatic and aliphatic hydrocarbons (phenanthrene, pyrene, and hexadecane

  1. Biomolecular Dynamic Article Links

    E-Print Network [OSTI]

    Silverman, Scott K.

    the serine (Ser) aliphatic hydroxyl side chain was extremely poor (only ~0.2% yield), and reactivity of the lysine (Lys) amine side chain was not observed. Lys side chain reactivity has never previously been) available: Assays of un- cloned pools and 13LS3 deoxyribozyme; reductive amination assay of 13LS3 ligation

  2. Synthesis of Rigid Cyclodextrin-Containing Polymeric Resins for Adsorption TINGYUE GU1,

    E-Print Network [OSTI]

    Gu, Tingyue

    . Adsorption isotherms for three small aromatic com- pounds, namely phenylalanine, tryptophan and aspartame, aromatic compounds, aliphatic alcohols, biomolecules with bulky side chains including antibiotics to provide selectivity [9, 10]. An aqueous alcohol, such as methanol, solution is often used as the mobile

  3. Vaporization Enthalpy and Vapor Pressure of Valproic Acid by Correlation Gas Chromatography

    E-Print Network [OSTI]

    Chickos, James S.

    Vaporization Enthalpy and Vapor Pressure of Valproic Acid by Correlation Gas Chromatography Joe A-propylpentanoic acid) is reported, and the vapor pressures of a series on aliphatic carboxylic acids are used to evaluate its vapor pressure as a function of temperature. The vaporization enthalpy was derived

  4. Flexible moldable conductive current-limiting materials

    DOE Patents [OSTI]

    Shea, John Joseph (Pittsburgh, PA); Djordjevic, Miomir B. (Milwaukee, WI); Hanna, William Kingston (Pittsburgh, PA)

    2002-01-01

    A current limiting PTC device (10) has two electrodes (14) with a thin film of electric conducting polymer material (20) disposed between the electrodes, the polymer material (20) having superior flexibility and short circuit performance, where the polymer material contains short chain aliphatic diepoxide, conductive filler particles, curing agent, and, preferably, a minor amount of bisphenol A epoxy resin.

  5. A KINETIC STUDY OF AEROBIC PROPANE UPTAKE AND COMETABOLIC DEGRADATION OF CHLOROFORM,

    E-Print Network [OSTI]

    Semprini, Lewis

    A KINETIC STUDY OF AEROBIC PROPANE UPTAKE AND COMETABOLIC DEGRADATION OF CHLOROFORM, CIS the behavior of different consortiums of aerobic propane-utilizing microorganisms, with respect to both the lag time for growth after exposure to propane, and their ability to transform three chlorinated aliphatic

  6. IUPAC-NIST Solubility Data Series. 81. Hydrocarbons with Water and Seawater Revised and Updated. Part 7. C8H12C8H18 Hydrocarbons

    E-Print Network [OSTI]

    IUPAC-NIST Solubility Data Series. 81. Hydrocarbons with Water and Seawater Revised and Updated. Part 7. C8H12­C8H18 Hydrocarbons with Water Volume Editors David G. Shawa... University of Alaska on the evaluation of the all experimental data for a given homologous series of aliphatic and aromatic hydrocarbons

  7. Coarse-grained Molecular-level Analysis of Polyurea Properties and Shock-mitigation Potential

    E-Print Network [OSTI]

    Grujicic, Mica

    Coarse-grained Molecular-level Analysis of Polyurea Properties and Shock-mitigation Potential M-phenyl methane); (b) R¢ represents an aromatic/aliphatic long chain functional group (e.g., Poly. This enables the application of conventional spraying technol- ogies for in situ production of PU coatings

  8. 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

  9. ORIGINAL CONTRIBUTION Rheological characterization of asphalt

    E-Print Network [OSTI]

    Mather, Patrick T.

    compared favorably with those obtained using conventional parallel-plate torsional flow in a commercial and are aggregates of polar aromatic compounds (Maruska and Rao 1987). Maltenes are nonpolar aliphatic hydrocarbons time (Anderson and Marasteanu 1999). Because of their codification, the conventional tests

  10. Process for the extraction of strontium from acidic solutions

    DOE Patents [OSTI]

    Horwitz, E.P.; Dietz, M.L.

    1994-09-06

    The invention is a process for selectively extracting strontium values from aqueous nitric acid waste solutions containing these and other fission product values. The extractant solution is a macrocyclic polyether in an aliphatic hydrocarbon diluent containing a phase modifier. The process will selectively extract strontium values from nitric acid solutions which are up to 6 molar in nitric acid. 4 figs.

  11. Surface chemistry control for selective fossil resin flotation

    DOE Patents [OSTI]

    Miller, Jan D. (1886 Atkin Ave., Salt Lake City, UT 84106); Yi, Ye (2875 E. Wander Way, Salt Lake City, UT 84117); Yu, Qiang (224 University Village, Salt Lake City, UT 84108)

    1994-01-01

    A froth flotation method is disclosed for separating fine particles of fossil resin from by use of frothing reagents which include an aliphatic organic compound having a polar group and containing not more than four carbon atoms. Butanol is an effective frothing reagent in this method.

  12. Surface chemistry control for selective fossil resin flotation

    DOE Patents [OSTI]

    Miller, J.D.; Yi, Y.; Yu, Q.

    1994-06-07

    A froth flotation method is disclosed for separating fine particles of fossil resin by use of frothing reagents which include an aliphatic organic compound having a polar group and containing not more than four carbon atoms. Butanol is an effective frothing reagent in this method. 12 figs.

  13. Stabilization of Water-in-Oil Emulsions by Naphthenic Acids and Their Salts: Model Compounds, Role of pH, and Soap : Acid Ratio#

    E-Print Network [OSTI]

    Kilpatrick, Peter K.

    Stabilization of Water-in-Oil Emulsions by Naphthenic Acids and Their Salts: Model Compounds, Role cyclic and branched aliphatic carboxylic acids, are interfacially active and adsorb at water­oil in petroleum production is the resulting stabilization of water-in-oil emulsions, which can cause problems

  14. Frequently asked questions about MFCs and our replies (Logan lab, Penn State) 1. In the paper by Liu, H., Cheng, S. and Logan, B.E. (2005b) Env. Sci. Tech., Vol. 39(14), pp.

    E-Print Network [OSTI]

    Nafion perfluorinated ion-exchange resin, 5% solution in low aliphatic alcohols/H2Omix, contains 15.5 mm diameter, 5 meters length, $264.60 USD, Manufacturer - Alfa Aesar 3. What is the difference technology. 5. Can you tell us costs and where to get anion exchange membranes (AEM) and cation exchange

  15. Neem extract as an inhibitor for biocorrosion influenced by sulfate reducing bacteria: A preliminary investigation

    E-Print Network [OSTI]

    hydrogen as an electron donor for metabolic life [1,2], (2) use O2 and Fe3+ as a terminal electron acceptor [3], (3) utilize aliphatic and aromatic hydrocarbons as a carbon source [4], (4) use very low levels linepipe steel by a sulfate- reducing bacterial (SRB) consortium. The SRB consortium used in this study

  16. Superallowed Fermi Decay of Ga-62 

    E-Print Network [OSTI]

    Davids, C. N.; Gagliardi, Carl A.; Murphy, M. J.; Norman, E. B.

    1979-01-01

    the copolymerization of CO2 and epoxide to form aliphatic polycarbonates. A new chromium(III) Schiff base complex has been synthesized and evaluated for its ability to catalyze the formation of polymer. The ligand employed bears an N2O2 coordination sphere identical...

  17. 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

  18. A novel biodegradable nanocomposite based on poly (3-hydroxybutyrate-co-3-hydroxyhexanoate) and silylated kaolinite/silica

    E-Print Network [OSTI]

    Mark, James E.

    The Procter & Gamble Company, 8611 Beckett Road, West Chester, OH 45069, USA a b s t r a c ta r t i c l e i n, with the aim to solve the environmental problem caused by the disposal of large volumes of non promising biodegradable semi- crystalline aliphatic polyesters of the polyhydroxyalkanoate family (Choi

  19. X-ray photoelectron emission spectromicroscopic analysis of arborescent lycopsid cell wall composition and Carboniferous coal ball preservation

    E-Print Network [OSTI]

    Boyce, C. Kevin

    composition and Carboniferous coal ball preservation C. Kevin Boyce a, , Mike Abrecht b , Dong Zhou b , P that were canopy dominants of many Pennsylvanian coal swamp forests. Its periderm or bark--the single greatest biomass contributor to many Late Paleozoic coals--is found to have a greater aliphatic content

  20. Safety analysis of B and W Standard PWR using thorium-based fuels

    SciTech Connect (OSTI)

    Uotinen, V.O.; Carroll, W.P.; Jones, H.M.; Toops, E.C.

    1980-06-01

    A study was performed to assess the safety and licenseability of the Babcock and Wilcox standard 205-fuel assembly PWR when it is fueled with three types of thoria-based fuels denatured (/sup 233/U//sup 238/U-Th)O/sub 2/, denatured (/sup 235//U/sup 238/U-Th)O/sub 2/, and (Th-Pu)O/sub 2/. Selected transients were analyzed using typical PWR safety analysis calculational methods. The results support the conclusion that it is feasible from a safety standpoint to utilize either of the denatured urania-thoria fuels in the standard B and W plant. In addition, it appears that the use of thoria-plutonia fuels would probably also be feasible. These tentative conclusions depend on a data that is more limited than that available for UO/sub 2/ fuels.

  1. Looping dynamics of flexible chain with internal friction at different degree of compactness

    E-Print Network [OSTI]

    Nairhita Samanta; Rajarshi Chakrabarti

    2015-02-11

    Recently single molecule experiments have shown the importance of internal friction in biopolymer dynamics. Such studies also suggested that the internal friction although independent of solvent viscosity has strong dependence on denaturant concentration. Recent simulations also support such propositions by pointing out weak interactions to be the origin of internal friction in proteins. Here we made an attempt to investigate how a single polymer chain with internal friction undergoes reconfiguration and looping dynamics in a confining potential which accounts for the presence of the denaturant, by using recently proposed Compacted Rouse with internal friction (CRIF). We also incorporated the effect of hydrodynamics by extending this further to Compacted Zimm with internal friction (CZIF). All the calculations are carried out within the Wilemski Fixmann (WF) framework. By changing the strength of the confinement we mimicked chains with different degrees of compactness at different denaturant concentrations. While compared with experiments our results are found to be in good agreement.

  2. Sensitivity analysis and study of the mixing uniformity of a microfluidic mixer

    E-Print Network [OSTI]

    Ivorra, Benjamin; Ramos, Įngel M; Santiago, Juan G

    2015-01-01

    We consider a microfluidic mixer based on hydrodynamic focusing, which is used to initiate the folding process of individual proteins. The folding process is initiated by quickly diluting a local denaturant concentration, and we define mixing time as the time advecting proteins experience a specified to achieve a local drop in denaturant concentration. In previous work, we presented a minimization of mixing time which considered optimal geometry and flow conditions, and achieved a design with a predicted mixing time of 0.10 $\\mu$s. The aim of the current paper is twofold. First, we explore the sensitivity of mixing time to key geometric and flow parameters. In particular, we study the angle between inlets, the shape of the channel intersections, channel widths, mixer depth, mixer symmetry, inlet velocities, working fluid physical properties, and denaturant concentration thresholds. Second, we analyze the uniformity of mixing times as a function of inlet flow streamlines. We find the shape of the intersection,...

  3. Supporting Information Chen et al. 10.1073/pnas.0707046105

    E-Print Network [OSTI]

    Cheng, Ji-Xin

    , 11.5 mg (0.1 mmol) of NHS, and 25 l of TEA in 20 ml of DCM, the reaction was performed at room temper,000), 50 l of TEA, and 5 l of DBDL in 5 ml of anhydrous dimethyl sulfoxide (DMSO) and 30 mg (0.077 mmol (green curve), and 0.75% DiI micelles (red curve) with 484-nm excitation. Chen et al. www

  4. Separation of the unsaponifiable matter from cottonseed oil by adsorption 

    E-Print Network [OSTI]

    Zeitoun, Mohamed Ali

    1955-01-01

    identified as ergosterol. Landenberg, Fernholz and Wallis (21) separated mixtures of cholesterol, P -sitosterol, stigmasterol and ergosterol, in the form of their colored eaters of azobenzenemonocarbox- ilic acid, by adsorption on anhydrous aluminium... oxide. All the results they obtained were in accordance with the theory that the number of double bonds was responsible for the degree of adsorption. They concluded tnat with aluminium oxide their method of separation was only applicable to sterols...

  5. Oxidation kinetics of by-product calcium sulfite 

    E-Print Network [OSTI]

    Othman, Hasliza

    1992-01-01

    ) process at TU-Electric power plant were characterized using x-ray diffraction and thermal analyses and were found to consist mainly of calcium sulfite hemihydrate. Calcium sulfite can be oxidized in its solid state to form anhydrous calcium sulfate... Preparation and Characterization . . . . . . . . . . . . . 1. Thermal Analysis 2. X-ray Diffraction 3. Particle Size Analysis 4. Chemical Analysis . . . . . B. Calcium Sulfite Oxidation 20 21 21 23 1. Apparatus 2. Procedure I V RESULTS...

  6. Fluorination utilizing thermodynamically unstable fluorides and fluoride salts thereof

    DOE Patents [OSTI]

    Bartlett, Neil (Orinda, CA); Whalen, J. Marc (Corning, NY); Chacon, Lisa (Corning, NY)

    2000-12-12

    A method for fluorinating a carbon compound or cationic carbon compound utilizes a fluorination agent selected from thermodynamically unstable nickel fluorides and salts thereof in liquid anhydrous hydrogen fluoride. The desired carbon compound or cationic organic compound to undergo fluorination is selected and reacted with the fluorination agent by contacting the selected organic or cationic organic compound and the chosen fluorination agent in a reaction vessel for a desired reaction time period at room temperature or less.

  7. EMPLOYEE SAFETY MIDDLE TENNESSEE STATE UNIVERSITY

    E-Print Network [OSTI]

    Hong, Don

    Precautions 3-4 Practices and Controls 3-5 Operational Practices 3-5 Maintenance and Emergency Storage Areas 3-13 Hazards 3-13 Precautions 3-14 Hazardous Gases 3-14 General Precautions 3-14 Cylinder Storage 3-15 Liquefied Petroleum Gas (LPG) 3-15 Anhydrous Ammonia 3-15 Acetylene 3-15 Oxygen 3-16 Peroxidizable Compounds

  8. Approaches to the synthesis of macrocyclic polystannanes 

    E-Print Network [OSTI]

    Denis, Richard Ascot

    1980-01-01

    . uractivateo or acti- vated zagnesium were unsuccessful. Tnas was attributed to the low reactivit: of allryl chlorides tom!ard magnesium. An alternate zethod to form the di-Crignard reagent from 41 is to replace the chloride substituents with iodide... purifica- tion. Grignard grade magnesium shavings (Fisher) were used for the preparation of all Grignard reagents. The lithium wire (PCR) con- tained a 1'; sodium impurity and was cut into segments of 1-10 mm lengths. Anhydrous stannic chloride...

  9. Reactive formulations for a neutralization of toxic industrial chemicals

    DOE Patents [OSTI]

    Tucker, Mark D. (Albuqueruqe, NM); Betty, Rita G. (Rio Rancho, NM)

    2006-10-24

    Decontamination formulations for neutralization of toxic industrial chemicals, and methods of making and using same. The formulations are effective for neutralizing malathion, hydrogen cyanide, sodium cyanide, butyl isocyanate, carbon disulfide, phosgene gas, capsaicin in commercial pepper spray, chlorine gas, anhydrous ammonia gas; and may be effective at neutralizing hydrogen sulfide, sulfur dioxide, formaldehyde, ethylene oxide, methyl bromide, boron trichloride, fluorine, tetraethyl pyrophosphate, phosphorous trichloride, arsine, and tungsten hexafluoride.

  10. Method for the synthesis of chlorosilanes

    DOE Patents [OSTI]

    Wheeler, D.R.; Pollagi, T.P.

    1999-08-17

    A novel method is described for the synthesis of chlorinated or partially chlorinated organosilanes and organopolysilanes. The chlorination is effected by contacting an organosilanes or organopolysilanes with anhydrous CuCl{sub 2} in a nonpolar alkane solvent, preferably pentane or hexadecane, without the use of a catalyst. Copper metal, which is easily filtered, is a reaction product. The filtrate containing the chlorinated organosilane or organopolysilane can be used directly as a reactant to produce, for example, aminoorganosilanes.

  11. Method of preparing nuclear wastes for tansportation and interim storage

    DOE Patents [OSTI]

    Bandyopadhyay, Gautam (Naperville, IL); Galvin, Thomas M. (Darien, IL)

    1984-01-01

    Nuclear waste is formed into a substantially water-insoluble solid for temporary storage and transportation by mixing the calcined waste with at least 10 weight percent powdered anhydrous sodium silicate to form a mixture and subjecting the mixture to a high humidity environment for a period of time sufficient to form cementitious bonds by chemical reaction. The method is suitable for preparing an interim waste form from dried high level radioactive wastes.

  12. Alcohol injection cuts diesel consumption on turbocharged tractors

    SciTech Connect (OSTI)

    Edson, D.V.

    1980-07-21

    M and W Gear Co. of Gibson City, IL, are marketing a new alcohol- injection system that permits turbocharged diesel engines to burn alcohol and claims to cut diesel consumption by 30% and more. The alcohol fuel, a blend of alcohol and water, does not meet the diesel fuel until the alcohol has been atomized and sprayed through the intake manifold into the cylinders. It permits farmers to use home- still-produced ethanol without the added expense of refining to anhydrous composition.

  13. Process for the treatment of lignocellulosic biomass

    DOE Patents [OSTI]

    Dale, Bruce E.; Lynd, Lee R.; Laser, Mark

    2013-03-12

    A process for the treatment of biomass to render structural carbohydrates more accessible and/or digestible using concentrated ammonium hydroxide with or without anhydrous ammonia addition, is described. The process preferably uses steam to strip ammonia from the biomass for recycling. The process yields of monosaccharides from the structural carbohydrates are good, particularly as measured by the enzymatic hydrolysis of the structural carbohydrates. The monosaccharides are used as animal feeds and energy sources for ethanol production.

  14. Process for the treatment of lignocellulosic biomass

    DOE Patents [OSTI]

    Dale, Bruce E.

    2014-07-08

    A process for the treatment of biomass to render structural carbohydrates more accessible and/or digestible using concentrated ammonium hydroxide with or without anhydrous ammonia addition, is described. The process preferably uses steam to strip ammonia from the biomass for recycling. The process yields of monosaccharides from the structural carbohydrates are good, particularly as measured by the enzymatic hydrolysis of the structural carbohydrates. The monosaccharides are used as animal feeds and energy sources for ethanol production.

  15. Method and apparatus for cartilage reshaping by radiofrequency heating

    DOE Patents [OSTI]

    Wong, Brian J.; Milner, Thomas E.; Sobol, Emil N.; Keefe, Michael W.

    2003-07-08

    A method and apparatus for reshaping cartilage using radiofrequency heating. The cartilage temperature is raised sufficiently for stress relaxation to occur in the cartilage, but low enough so that significant denaturation of the cartilage does not occur. The RF electrodes may be designed to also function as molds, preses, clamps, or mandrills to deform the cartilage tissue. Changes in various properties of the cartilage associated with stress relaxation in the cartilage may be measured in order to provide the control signal to provide effective reshaping without denaturation.

  16. Process for the encapsulation and stabilization of radioactive, hazardous and mixed wastes

    DOE Patents [OSTI]

    Colombo, Peter (Patchogue, NY); Kalb, Paul D. (Wading River, NY); Heiser, III, John H. (Bayport, NY)

    1997-11-14

    The present invention provides a method for encapsulating and stabilizing radioactive, hazardous and mixed wastes in a modified sulfur cement composition. The waste may be incinerator fly ash or bottom ash including radioactive contaminants, toxic metal salts and other wastes commonly found in refuse. The process may use glass fibers mixed into the composition to improve the tensile strength and a low concentration of anhydrous sodium sulfide to reduce toxic metal solubility. The present invention preferably includes a method for encapsulating radioactive, hazardous and mixed wastes by combining substantially anhydrous wastes, molten modified sulfur cement, preferably glass fibers, as well as anhydrous sodium sulfide or calcium hydroxide or sodium hydroxide in a heated double-planetary orbital mixer. The modified sulfur cement is preheated to about 135.degree..+-.5.degree. C., then the remaining substantially dry components are added and mixed to homogeneity. The homogeneous molten mixture is poured or extruded into a suitable mold. The mold is allowed to cool, while the mixture hardens, thereby immobilizing and encapsulating the contaminants present in the ash.

  17. ORIGINAL ARTICLE Convergent development of anodic bacterial

    E-Print Network [OSTI]

    treatment plant sample known to produce consistent power densities, a second wastewater treatment plant Joint Authority Wastewater Treatment Plant)) produced substantially less power. Denaturing gradient gel). The aerobic effluent (1.16 mW mĄ 2 ) and river water (1.14 mW mĄ 2 ) inocula produced a higher maximum power

  18. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, June 2009, p. 36733678 Vol. 75, No. 11 0099-2240/09/$08.00 0 doi:10.1128/AEM.02600-08

    E-Print Network [OSTI]

    into the cell and used for energy production. Cellulose is the most abundant biopolymer in the world addition of an exogenous mediator. Using a specially designed U-tube MFC, we enriched a consortium-to-extinction serial transfers of the consortium, 16S rRNA gene-based community analysis using denaturing gradient gel

  19. 10mg His v5.4 Refold Master

    E-Print Network [OSTI]

    Lebendiker, Mario

    1 Table of Contents Introduction .................................. 2 ­ 3 Kit Contents #12;10mg His v5.4 Page 4 Kit Contents ­ Ready for Use A ­ Denaturation buffer (4.9 ml) 110 mM Tris, 8 collection tubes (x16) D ­ Protein protection agent (blue, 1100 µl) 100X stock of NV10, dissolved in water E

  20. 10mg Acidic v5.4 Refold Master

    E-Print Network [OSTI]

    Lebendiker, Mario

    .4 Page 1 Table of Contents Introduction .................................. 2 ­ 3 Kit Contents #12;10mg Acidic v5.4 Page 4 Kit Contents ­ Ready for Use A ­ Denaturation buffer (4.9 ml) 110 mM Tris in water E ­ Redox agents (yellow, 750 µl) 400 mM GSSG, 200 mM DTT, dissolved in water F ­ Protection

  1. 10mg Basic v5.4 Refold Master

    E-Print Network [OSTI]

    Lebendiker, Mario

    .4 Page 1 Table of Contents Introduction .................................. 2 ­ 3 Kit Contents Basic v 5.4 Page 4 Kit Contents ­ Ready for Use A ­ Denaturation buffer (4.9 ml) 110 mM Tris, 8.8 M Urea collection tubes (x16) D ­ Protein protection agent (blue, 1100 µl) 100X stock of NV10, dissolved in water E

  2. Proc. Nati. Acad. Sci. USA Vol. 87, pp. 6388-6392, August 1990

    E-Print Network [OSTI]

    Chan, Hue Sun

    /conformational entropy) HUE SUN CHAN AND KEN A. DILL Department of Pharmaceutical Chemistry, University of California, the stabilities (observed in the distribution; see below) decrease with length (18-20). (ii) The most stable residues (18-20), and these are 100% helical up to nearly the denaturation temperature of the protein. (iii

  3. volume 6 Number 4 April 1979 Nucleic Acids Research Core nucleosomes by digestion of reconstructed histone-DNA complexes

    E-Print Network [OSTI]

    Olins, Ada L.

    volume 6 Number 4 April 1979 Nucleic Acids Research Core nucleosomes by digestion of reconstructed4) and a variety of DNAs were digested with micrococcal nuclease to yield very homogeneous by circular dichroism, thermal denaturation, electron microscopy, and DNAse I digestion. Circular dichroism

  4. Modular-DNA Programmed Molecular Construction of "Fixed" of 2D and 3D-Au Nanoparticle Arrays

    E-Print Network [OSTI]

    Williams, Loren

    metal nanoparticle arrays is expected to provide advanced materials having unique structures of Watson-Crick hydrogen bonding, arrays constructed with nucleic acids scaffolds are not permanent. DNA duplexes typically denature in water solution without added salt and at elevated temperature.37 Several

  5. Supplementary information for Y Huang et al., Distinct roles of Tet1 and Tet2 in mouse embryonic stem Supplementary experimental procedures

    E-Print Network [OSTI]

    Jacobsen, Steve

    ng genomic DNA samples were sheared using 18 gauge needle and treated with sodium bisulfite. 2-fold by addition of an equal volume of cold 2M ammonium acetate (pH 7.0) on ice for 10 min. Denatured DNA samples

  6. EDITORIAL TO THE SPECIAL ISSUE Amphipols: Where from? Where to?

    E-Print Network [OSTI]

    of clays). Among those were some intriguing stories, such as the immiscibility of hydro- and fluorocarbons, or the fact that surfactant micelles can be used to crosslink hydro- philic polymers carrying sparse alkyl and their denaturing properties. I countered with the suggestion to make very small and flexible amphipathic polymers

  7. Salt-stabilized globular protein structure in 7 M aqueous urea solution

    E-Print Network [OSTI]

    Wider, Gerhard

    1 Salt-stabilized globular protein structure in 7 M aqueous urea solution V. Dötsch,1 G. Wider, G Hochschule- Hönggerberg, CH-8093 Zürich, Switzerland Keywords Protein folding; Urea denaturation; Salt changing the solution conditions. In this paper we describe the influence of various salts or non

  8. DNA Nanomechanical Switches under Folding Kinetics Control

    E-Print Network [OSTI]

    Meller, Amit

    DNA Nanomechanical Switches under Folding Kinetics Control Virgile Viasnoff,, Amit Meller operate at equilibrium under changes in solution composition. We propose an alternative DNA switch design after heat denaturation drives the switch to its lowest energy conformation, while rapid cooling (>100

  9. Subscriber access provided by STANFORD UNIV GREEN LIBR Analytical Chemistry is published by the American Chemical Society. 1155 Sixteenth

    E-Print Network [OSTI]

    Barron, Annelise E.

    in the electropherogram, both single- and double-stranded. Using these protocols and a panel of 11 p53 mutant DNA samples with 32P-labeled (radioactive) primers, thermal denaturation, and cooling of the resulting dsDNA to form

  10. Genome-wide RNAi screening identifies protein damage as a regulator of osmoprotective

    E-Print Network [OSTI]

    Lamitina, Todd

    expression of stress-protective genes. For example, heat shock causes protein denaturation and induces (received for review April 12, 2006) The detection, stabilization, and repair of stress-induced damage are essential requirements for cellular life. All cells respond to osmotic stress-induced water loss

  11. Prospects & Overviews Chaperone discovery

    E-Print Network [OSTI]

    Bardwell, James

    chaperones is up-regulated by stress stimuli, such as heat shock [6]. This induction confers thermo assist de novo protein folding and facilitate the refolding of stress-denatured proteins. The molecular of a functional proteome under normal and stress conditions [1]. They act in multiple cellular processes

  12. The effect of an employee educational program on the bacteriological quality of blue crab meat 

    E-Print Network [OSTI]

    Biediger, Catherine M

    1978-01-01

    with hor'izontal rectangular steamers, or metal vats used with boiling (13). The crabs go into the cooker as rapidly as possible. Crabs are cooked to denature the protein so that it can be easily picked from the shell and to reduce the bacterial load...

  13. a p p l i c a t i o n n o t e Removal of DNA from lysates of E. coli cells and French bean tissue prior to

    E-Print Network [OSTI]

    Lebendiker, Mario

    -Rad in TGS buffer after denaturation at 95°C for 5 minutes. For DNA gels, samples were diluted 1:2 in TBE DNA removal, 10% Tris-HCl pre cast gels from Bio-Rad in TGS buffer, Silver stained Lane 1 = Marker, 10% Tris-HCl pre cast gels from Bio- Rad in TGS buffer, Coommassie blue stained. Lane 1 = Marker Lane

  14. Complicating Consent: A Study of the Rhetorical Strategies Employed to Interrupt Rape Myths in the Prosecutor v. Kunarac

    E-Print Network [OSTI]

    Shook, Lindsey

    2010-08-31

    The justices in the trial of the Prosecutor v. Kunarac were able to interrupt the rape myths that generally exist in rape trials by complicating the notion of consent. In this paper I argue that the justices de-naturalize common myths about consent...

  15. Identification of the protein folding transition state from molecular dynamics trajectories

    E-Print Network [OSTI]

    Caflisch, Amedeo

    Identification of the protein folding transition state from molecular dynamics trajectories S. Muff The rate of protein folding is governed by the transition state so that a detailed characterization of its. INTRODUCTION Proteins fold from the heterogeneous set of denatured conformations to the structurally well

  16. From: Methods in Molecular Biology, vol. 350: Protein Folding Protocols Edited by: Y. Bai and R. Nussinov Humana Press Inc., Totowa, NJ

    E-Print Network [OSTI]

    Caflisch, Amedeo

    225 From: Methods in Molecular Biology, vol. 350: Protein Folding Protocols Edited by: Y. Bai and R in the transition state. Key Words: Protein folding; energy landscape; transition state ensemble; denatured state- sively applied to the analysis of protein folding (1­5). Although proteins are essential macromolecules

  17. ASP 79 makes a large, unfavorable contribution to the conformational stability of Ribonuclease SA 

    E-Print Network [OSTI]

    Trevino, Saul Rene

    2013-02-22

    the stability of the protein. Also, the stability was measured as a function of pH for RNase Sa and the D79F mutant. The pK of Asp 79 was found to be 7.2 in the native state and 4.7 in the denatured state....

  18. Published: May 04, 2011 r 2011 American Chemical Society 6668 dx.doi.org/10.1021/jp112113s |J. Phys. Chem. B 2011, 115, 66686677

    E-Print Network [OSTI]

    van Stokkum, Ivo

    to that of the isolated chromophore in the gas phase, apparently suggesting that the protein provides a vacuum and perturbations from the protein environment on the excitation energy. If pCa is in solution or in the denatured the efficiency of light signaling. Transient absorption measurements indicate that the quantum yield

  19. 1191Commentary Introduction

    E-Print Network [OSTI]

    Shorter, James

    form, which resists detergents, proteases and heat denaturation (Dobson, 2003; Knowles et al., 2007; Prusiner, 1982; Prusiner et al., 1983; Smith et al., 2006), transmission between individuals (e.g. BSE transmission of CWD via a fecal-oral route within deer populations (Tamguney et al., 2009). It is now clear

  20. Protein folding by zipping and assembly S. Banu Ozkan*

    E-Print Network [OSTI]

    Southern California, University of

    Protein folding by zipping and assembly S. Banu Ozkan* , G. Albert Wu* , John D. Chodera, CA, May 2, 2007 (received for review April 13, 2006) How do proteins fold so quickly? Some denatured proteins fold to their native structures in only microseconds, on average, implying that there is a folding

  1. Cleaning on a Shoestring. 

    E-Print Network [OSTI]

    McCutcheon, Linda Flowers

    1982-01-01

    or paint store ammonia ............... grocery store art gum ................. art store borax ................... g rocery store cream appliance wax ... grocery store denatured alcohol ...... grocery or drug store dry cleaning fluid ....... drug... .............. drug store pumice powder ......... paint store putty powder ........... hardware or paint store rust retardant paint ..... paint store tung oil ................. paint store unsalted vegetable oil .. grocery store washing soda .......... grocery...

  2. Microbial community response to a release of neat ethanol onto residual hydrocarbons in a pilot-scale

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    Microbial community response to a release of neat ethanol onto residual hydrocarbons in a pilot ethanol release (E100, 76 l) onto residual hydrocarbons in sandy soil was evaluated in a continuous-flow 8 hydrocarbons mobilized by ethanol. Growth of hydrocarbon degrad- ers was corroborated by denaturing gradient

  3. Determining the effect of LEF-12 on late viral gene expression 

    E-Print Network [OSTI]

    Peterson, April Lynn

    2013-02-22

    . The agarose gel was subjected to alkaline denaturation, neutralization, and the DNA transferred to nitrocellulose filter paper overnight. Probes were constructed by the addition of random primers, dNTPs, "P dCTP, and Klenow enzyme to LMP gel purified...

  4. Identification of sensitivity genes involved in teratogen-induced neural tube defects 

    E-Print Network [OSTI]

    Hayes, Blaine G

    2013-02-22

    RNA from Lm/Bc mouse neural tissue, reverse transcribing the RNA into cDNA and PCR amplifying the cDNA using a radioactively end labeled primer in order to visualize the amplified fragment. The labeled cDNA fragment is then loaded onto a denaturing...

  5. The interplay between physical and chemical properties of protein films affects their bioactivity

    E-Print Network [OSTI]

    Grover, C. N.; Farndale, R. W.; Best, Serena Michelle; Cameron, Ruth Elizabeth

    2012-07-09

    -denaturation of collagen, to produce gelatin, destroys the ordered three-dimensional triple-helical structure which disrupts the binding sites for collagen-binding integrins, leaving, after cooling, a mixture of mis-aligned triple helices, peptide fragments and random...

  6. Molecular Ecology Resources (2008) doi: 10.1111/j.1755-0998.2008.02158.x 2008 The Authors

    E-Print Network [OSTI]

    Storfer, Andrew

    2008-01-01

    (Dicamptodon tenebrosus) C. A. STEELE, J. BAUMSTEIGER and A. STORFER School of Biological Sciences, Washington for sympatric populations of the two species (Steele et al. submitted) and necessi- tated the development of denaturation at 94 °C for 30 s, annealing at 53­60 °C (Table 1) for 30 s and elongation at 72 °C for 30 s

  7. PA C B I O I N P U T D N A Q U A L I T Y / Q U A N T I T Y G U I D E L I N E S The PacBio template preparation process does not utilize amplification techniques;

    E-Print Network [OSTI]

    Richardson, David

    ) or contaminants (e.g., single-stranded DNA, RNA, proteins, dyes, or salts, phenol) present in the input material cations (like Mg 2+), denaturants (like guanidinium salts, phenol), or detergents (like SDS, Triton-X100 Electrophoresis. For best results, DNA samples must show no signs of degradation (smearing DNA bands). One

  8. Page 1 of 4 Last updated: June 25, 2013

    E-Print Network [OSTI]

    Kopp, Artyom

    damaging, but avoid ethidium bromide. - does not contain denaturants (e.g., guanidinium salts or phenol. For best results, DNA samples must show no signs of degradation, which is evidenced by smeared DNA bands. The presence of one predominant band showing high MW DNA with no degradation is optimal. A good practice

  9. Prospects & Overviews Chaperone discovery

    E-Print Network [OSTI]

    Bardwell, James

    assist de novo protein folding and facilitate the refolding of stress-denatured proteins. The molecular in understanding how these factors support protein folding. Here, we focus on how various chaper- one proteins were first identified to play roles in protein folding. Examples are used to illustrate traditional routes

  10. Yeast Transformation 1. Grow yeast to mid-log in YPDa (YPD + 1X adenine). Dilute fresh YPD overnight culture 1/100

    E-Print Network [OSTI]

    Aris, John P.

    and snap cool carrier DNA prior to use. 2. Chill cells on ice. Centrifuge in 50 ml tube for 5 minutes.6 ml 50% PEG 3400 9. Heat shock 15 minutes at 42°C without shaking. Chill on ice. Spin 30 seconds steps 2-7 on ice with ice-cold solutions; microfuge 1 minute at 4000 rpm (1500 g); heat denature

  11. Carrier DNA For Yeast Transformation Preparation of high molecular weight single stranded carrier DNA for yeast transformations.

    E-Print Network [OSTI]

    Aris, John P.

    minute pulses. Chill on ice for 1 minute in between. The DNA solution should not heat above room into ice bucket to cool quickly. Keep on ice. This denaturation step also sterilizes the DNA. 10. Freeze to collect solution at bottom of tube. Place on ice. 3. Sonicate DNA solution in tube with tip sonifier

  12. Polyestercarbonates which exhibit improved processibility

    DOE Patents [OSTI]

    Krabbenhoft, Herman Otto (Scotia, NY)

    1999-01-01

    The invention relates to a polyestercarbonate polymer which comprises repeating units of a mono-unsaturated aliphatic dicarboxylic acid having about 12 to about 20 carbon atoms. Preferred dicarboxylic acids for incorporation into the polymer are cis-octadec-9-enedioic acid or trans-octadec-9-enedioic acid. The use of these mono-unsaturated acids results in polymers with lower glass transition temperatures, and enhances processibility.

  13. Kinetic and Inhibition Studies for the Aerobic Cometabolism of

    E-Print Network [OSTI]

    Semprini, Lewis

    ,1-Dichloroethylene, and 1,1-Dichloroethane by a Butane-Grown Mixed Culture Young Kim,1 Daniel J. Arp,2 Lewis Semprini), and 1,1-dichloroethane (1,1-DCA) by a butane- grown mixed culture. These chlorinated aliphatic hydro. The highest kmax was obtained for butane (2.6 µmol/mg TSS/ h) followed by 1,1-DCE (1.3 µmol/mg TSS/h), 1,1-DCA

  14. Kinetic and inhibition studies for the aerobic cometabolism of 1,1,1-trichloroethane, 1,1-dichloroethylene, and 1,1-dichloroethane by a butane-grown mixed culture

    E-Print Network [OSTI]

    Semprini, Lewis

    ,1-dichloroethylene, and 1,1-dichloroethane by a butane-grown mixed culture Kim Y, Arp DJ, Semprini L BIOTECHNOLOGY,1- dichloroethane (1,1-DCA) by a butane-grown mixed culture. These chlorinated aliphatic hydrocarbons (CAHs for butane (2.6 mumol/mg TSS/ h) followed by 1,1-DCE (1.3 mumol/mg TSS/h), 1,1-DCA (0.49 mumol/mg TSS

  15. Nanofluids and a method of making nanofluids for ground source heat pumps and other applications

    SciTech Connect (OSTI)

    Olson, John Melvin

    2013-11-12

    This invention covers nanofluids. Nanofluids are a combination of particles between 1 and 100 nanometers, a surfactant and the base fluid. The nanoparticles for this invention are either pyrogenic nanoparticles or carbon nanotubes. These nanofluids improve the heat transfer of the base fluids. The base fluid can be ethylene glycol, or propylene glycol, or an aliphatic-hydrocarbon based heat transfer fluid. This invention also includes a method of making nanofluids. No surfactant is used to suspend the pyrogenic nanoparticles in glycols.

  16. Coal liquefaction process using pretreatment with a binary solvent mixture

    DOE Patents [OSTI]

    Miller, R.N.

    1986-10-14

    An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300 C before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil. 1 fig.

  17. Accurate measurements of {sup 13}C-{sup 13}C distances in uniformly {sup 13}C-labeled proteins using multi-dimensional four-oscillating field solid-state NMR spectroscopy

    SciTech Connect (OSTI)

    Straasų, Lasse Arnt; Nielsen, Jakob Toudahl; Bjerring, Morten; Nielsen, Niels Chr., E-mail: ncn@inano.au.dk [Center for Insoluble Protein Structures (inSPIN), Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry, Aarhus University, DK-8000 Aarhus C (Denmark); Khaneja, Navin [Division of Applied Sciences, Harvard University, Cambridge, Massachusetts 02138 (United States)

    2014-09-21

    Application of sets of {sup 13}C-{sup 13}C internuclear distance restraints constitutes a typical key element in determining the structure of peptides and proteins by magic-angle-spinning solid-state NMR spectroscopy. Accurate measurements of the structurally highly important {sup 13}C-{sup 13}C distances in uniformly {sup 13}C-labeled peptides and proteins, however, pose a big challenge due to the problem of dipolar truncation. Here, we present novel two-dimensional (2D) solid-state NMR experiments capable of extracting distances between carbonyl ({sup 13}C?) and aliphatic ({sup 13}C{sub aliphatic}) spins with high accuracy. The method is based on an improved version of the four-oscillating field (FOLD) technique [L. A. Straasų, M. Bjerring, N. Khaneja, and N. C. Nielsen, J. Chem. Phys. 130, 225103 (2009)] which circumvents the problem of dipolar truncation, thereby offering a base for accurate extraction of internuclear distances in many-spin systems. The ability to extract reliable accurate distances is demonstrated using one- and two-dimensional variants of the FOLD experiment on uniformly {sup 13}C,{sup 15}N-labeled-L-isoleucine. In a more challenging biological application, FOLD 2D experiments are used to determine a large number of {sup 13}C?-{sup 13}C{sub aliphatic} distances in amyloid fibrils formed by the SNNFGAILSS fibrillating core of the human islet amyloid polypeptide with uniform {sup 13}C,{sup 15}N-labeling on the FGAIL fragment.

  18. Molecular and crystal structure of n-hexyloxybenzoic anhydride at low and room temperatures

    SciTech Connect (OSTI)

    Konstantinov, I. I.; Churakov, A. V.; Kuz'mina, L. G.

    2010-09-15

    The crystal and molecular structures of n-hexyloxybenzoic anhydride, C{sub 6}H{sub 13}-O-C{sub 6}H{sub 4}-C(O)-O-C(O)-C{sub 6}H{sub 4}-C{sub 6}H{sub 13}, at low (120 K) and room (296 K) temperatures have been investigated. The molecule has an asymmetric bent structure. The dihedral angle between the benzene ring planes is 48.5 deg. The aliphatic chain on one side of the molecule has a transoid orientation with respect to the 'internal' C4 atom of the closest benzene ring, whereas the aliphatic chain on the other side has a cissoid orientation with respect to the analogous C(4A) atom. The crystal packing does not exhibit any pronounced separation of the crystal space into closely packed aromatic or loosely packed aliphatic regions. No weak directional interactions are observed in the packing; this fact explains the absence of liquid-crystal properties for this compound.

  19. Production of the ammonium salt of 3,5-dinitro-1,2,4-triazole by solvent extraction

    DOE Patents [OSTI]

    Lee, Kien Y. (Los Alamos, NM); Ott, Donald G. (Los Alamos, NM)

    1980-01-01

    The ammonium salt of 3,5-dinitro-1,2,4-triazole has utility as a chemical explosive. In accordance with the present invention, it may readily be produced by solvent extraction using high-molecular weight, water-insoluble amines followed by amination with anhydrous ammonia gas. The aqueous reaction mixture produced in the synthesis of the parent compound, 3,5-dinitro-1,2,4-triazole, is quite suitable--and indeed is preferred--for use as the feed material in the process of the invention.

  20. Liquefied Gaseous Fuels Safety and Environmental Control Assessment Program: second status report

    SciTech Connect (OSTI)

    1980-10-01

    This document is arranged in three volumes and reports on progress in the Liquefied Gaseous Fuels (LGF) Safety and Environmental Control Assessment Program made in fiscal Year (FY)-1979 and early FY-1980. Volume 3 contains reports from 6 government contractors on LPG, anhydrous ammonia, and hydrogen energy systems. Report subjects include: simultaneous boiling and spreading of liquefied petroleum gas (LPG) on water; LPG safety research; state-of-the-art of release prevention and control technology in the LPG industry; ammonia: an introductory assessment of safety and environmental control information; ammonia as a fuel, and hydrogen safety and environmental control assessment.

  1. Platinum-group element abundance patterns in different mantle environments

    SciTech Connect (OSTI)

    Rehkaemper, M.; Halliday, A.N.; Barfod, D.; Fitton, J.G.; Dawson, J.B.

    1997-11-28

    Mantle-derived xenoliths from the Cameroon Line and northern Tanzania display differences in their platinum-group element (PGE) abundance patterns. The Cameroon Line lherzolites have uniform PGE patterns indicating a homogeneous upper mantle over several hundreds of kilometers, with approximately chondritic PGE ratios. The PGE patterns of the Tanzanian peridotites are similar to the PGE systematics of ultramafic rocks from ophiolites. The differences can be explained if the northern Tanzanian lithosphere developed in a fluid-rich suprasubduction zone environment, whereas the Cameroon Line lithosphere only experienced melt extraction from anhydrous periodotites. 32 refs., 2 figs., 1 tab.

  2. Zinc phosphate conversion coatings

    DOE Patents [OSTI]

    Sugama, Toshifumi (Wading River, NY)

    1997-01-01

    Zinc phosphate conversion coatings for producing metals which exhibit enhanced corrosion prevention characteristics are prepared by the addition of a transition-metal-compound promoter comprising a manganese, iron, cobalt, nickel, or copper compound and an electrolyte such as polyacrylic acid, polymethacrylic acid, polyitaconic acid and poly-L-glutamic acid to a phosphating solution. These coatings are further improved by the incorporation of Fe ions. Thermal treatment of zinc phosphate coatings to generate .alpha.-phase anhydrous zinc phosphate improves the corrosion prevention qualities of the resulting coated metal.

  3. System and process for capture of H.sub.2S from gaseous process streams and process for regeneration of the capture agent

    DOE Patents [OSTI]

    Heldenbrant, David J; Koech, Phillip K; Rainbolt, James E; Bearden, Mark D; Zheng, Feng

    2014-02-18

    A system and process are disclosed for selective removal and recovery of H.sub.2S from a gaseous volume, e.g., from natural gas. Anhydrous organic, sorbents chemically capture H.sub.2S gas to form hydrosulfide salts. Regeneration of the capture solvent involves addition of an anti-solvent that releases the captured H.sub.2S gas from the capture sorbent. The capture sorbent and anti-solvent are reactivated for reuse, e.g., by simple distillation.

  4. Composition and process for the encapsulation and stabilization of radioactive, hazardous and mixed wastes

    DOE Patents [OSTI]

    Kalb, P.D.; Colombo, P.

    1998-03-24

    The present invention provides a composition and process for disposal of radioactive, hazardous and mixed wastes. The present invention preferably includes a process for multibarrier encapsulation of radioactive, hazardous and mixed wastes by combining substantially simultaneously dry waste powder, a non-biodegradable thermoplastic polymer and an anhydrous additive in an extruder to form a homogeneous molten matrix. The molten matrix may be directed in a ``clean`` polyethylene liner, allowed to cool, thus forming a monolithic waste form which provides a multibarrier to the dispersion of wastes into the environment. 2 figs.

  5. Composition and process for the encapsulation and stabilization of radioactive, hazardous and mixed wastes

    DOE Patents [OSTI]

    Kalb, Paul D. (Wading River, NY); Colombo, Peter (Patchogue, NY)

    1999-07-20

    The present invention provides a composition and process for disposal of radioactive, hazardous and mixed wastes. The present invention preferably includes a process for multibarrier encapsulation of radioactive, hazardous and mixed wastes by combining substantially simultaneously dry waste powder, a non-biodegradable thermoplastic polymer and an anhydrous additive in an extruder to form a homogenous molten matrix. The molten matrix may be directed in a "clean" polyethylene liner, allowed to cool, thus forming a monolithic waste form which provides a multibarrier to the dispersion of wastes into the environment.

  6. Composition and process for the encapsulation and stabilization of radioactive, hazardous and mixed wastes

    DOE Patents [OSTI]

    Kalb, Paul D. (Wading River, NY); Colombo, Peter (Patchogue, NY)

    1998-03-24

    The present invention provides a composition and process for disposal of radioactive, hazardous and mixed wastes. The present invention preferably includes a process for multibarrier encapsulation of radioactive, hazardous and mixed wastes by combining substantially simultaneously dry waste powder, a non-biodegradable thermoplastic polymer and an anhydrous additive in an extruder to form a homogenous molten matrix. The molten matrix may be directed in a "clean" polyethylene liner, allowed to cool, thus forming a monolithic waste form which provides a multibarrier to the dispersion of wastes into the environment.

  7. Composition and process for the encapsulation and stabilization of radioactive hazardous and mixed wastes

    DOE Patents [OSTI]

    Kalb, P.D.; Colombo, P.

    1997-07-15

    The present invention provides a composition and process for disposal of radioactive, hazardous and mixed wastes. The present invention preferably includes a process for multibarrier encapsulation of radioactive, hazardous and mixed wastes by combining substantially simultaneously dry waste powder, a non-biodegradable thermoplastic polymer and an anhydrous additive in an extruder to form a homogeneous molten matrix. The molten matrix may be directed in a ``clean`` polyethylene liner, allowed to cool, thus forming a monolithic waste form which provides a multibarrier to the dispersion of wastes into the environment. 2 figs.

  8. Composition and process for the encapsulation and stabilization of radioactive hazardous and mixed wastes

    DOE Patents [OSTI]

    Kalb, Paul D. (21 Barnes Road, Wading River, NY 11792); Colombo, Peter (44 N. Pinelake Dr., Patchogue, NY 11772)

    1997-01-01

    The present invention provides a composition and process for disposal of radioactive, hazardous and mixed wastes. The present invention preferably includes a process for multibarrier encapsulation of radioactive, hazardous and mixed wastes by combining substantially simultaneously dry waste powder, a non-biodegradable thermoplastic polymer and an anhydrous additive in an extruder to form a homogenous molten matrix. The molten matrix may be directed in a "clean" polyethylene liner, allowed to cool, thus forming a monolithic waste form which provides a multibarrier to the dispersion of wastes into the environment.

  9. Method and system for ethanol production

    DOE Patents [OSTI]

    Feder, H.M.; Chen, M.J.

    1980-05-21

    A transition metal carbonyl and a tertiary amine are employed as a homogeneous catalytic system in methanol or a less volatile solvent to react methanol with carbon monoxide and hydrogen gas producing ethanol and carbon dioxide. The gas contains a high carbon monoxide to hydrogen ratio as is present in a typical gasifier product. The reaction has potential for anhydrous ethanol production as carbon dioxide rather than water is produced. The only other significant by-product is methane. Selected transition metal carbonyls include those of iron, ruthenium and possibly manganese and osmium. Selected amines include trimethylamine, N-Methylpyrrolidine, 24-diazabicyclooctane, dimethyneopentylamine and 2-pryidinol.

  10. Method and system for ethanol production

    DOE Patents [OSTI]

    Feder, Harold M. (Darien, IL); Chen, Michael J. (Darien, IL)

    1981-01-01

    A transition metal carbonyl and a tertiary amine are employed as a homogeneous catalytic system in methanol or a less volatile solvent to react methanol with carbon monoxide and hydrogen gas producing ethanol and carbon dioxide. The gas contains a high carbon monoxide to hydrogen ratio as is present in a typical gasifier product. The reaction has potential for anhydrous ethanol production as carbon dioxide rather than water is produced. The only other significant by product is methane. Selected transition metal carbonyls include those of iron, ruthenium and possibly manganese and osmium. Selected amines include trimethylamine, N-Methylpyrrolidine, 24-diazabicyclooctane, dimethyneopentylamine and 2-pryidinol.

  11. Composition and process for the encapsulation and stabilization of radioactive, hazardous and mixed wastes

    DOE Patents [OSTI]

    Kalb, P.D.; Colombo, P.

    1999-07-20

    The present invention provides a composition and process for disposal of radioactive, hazardous and mixed wastes. The present invention preferably includes a process for multibarrier encapsulation of radioactive, hazardous and mixed wastes by combining substantially simultaneously dry waste powder, a non-biodegradable thermoplastic polymer and an anhydrous additive in an extruder to form a homogeneous molten matrix. The molten matrix may be directed in a clean'' polyethylene liner, allowed to cool, thus forming a monolithic waste form which provides a multibarrier to the dispersion of wastes into the environment. 2 figs.

  12. Zinc phosphate conversion coatings

    DOE Patents [OSTI]

    Sugama, T.

    1997-02-18

    Zinc phosphate conversion coatings for producing metals which exhibit enhanced corrosion prevention characteristics are prepared by the addition of a transition-metal-compound promoter comprising a manganese, iron, cobalt, nickel, or copper compound and an electrolyte such as polyacrylic acid, polymethacrylic acid, polyitaconic acid and poly-L-glutamic acid to a phosphating solution. These coatings are further improved by the incorporation of Fe ions. Thermal treatment of zinc phosphate coatings to generate {alpha}-phase anhydrous zinc phosphate improves the corrosion prevention qualities of the resulting coated metal. 33 figs.

  13. Process for converting magnesium fluoride to calcium fluoride

    DOE Patents [OSTI]

    Kreuzmann, A.B.; Palmer, D.A.

    1984-12-21

    This invention is a process for the conversion of magnesium fluoride to calcium fluoride whereby magnesium fluoride is decomposed by heating in the presence of calcium carbonate, calcium oxide or calcium hydroxide. Magnesium fluoride is a by-product of the reduction of uranium tetrafluoride to form uranium metal and has no known commercial use, thus its production creates a significant storage problem. The advantage of this invention is that the quality of calcium fluoride produced is sufficient to be used in the industrial manufacture of anhydrous hydrogen fluoride, steel mill flux or ceramic applications.

  14. Method and system for ethanol production

    DOE Patents [OSTI]

    Feder, Harold M. (Darien, IL); Chen, Michael J. (Darien, IL)

    1983-01-01

    A transition metal carbonyl and a tertiary amine are employed as a homogeneous catalytic system in methanol or a less volatile solvent to react methanol with carbon monoxide and hydrogen gas producing ethanol and carbon dioxide. The gas contains a high carbon monoxide to hydrogen ratio as is present in a typical gasifier product. The reaction has potential for anhydrous ethanol production as carbon dioxide rather than water is produced. Selected transition metal carbonyls include those of iron, rhodium ruthenium, manganese in combination with iron and possibly osmium. Selected amines include trimethylamine, N-Methylpyrrolidine, 2,4-diazabicyclooctane, dimethylneopentylamine, N-methylpiperidine and derivatives of N-methylpiperidine.

  15. Method and system for ethanol production

    DOE Patents [OSTI]

    Feder, H.M.; Chen, M.J.

    1981-09-24

    A transition metal carbonyl and a tertiary amine are employed as a homogeneous catalytic system in methanol or a less volatile solvent to react methanol with carbon monoxide and hydrogen gas producing ethanol and carbon dioxide. The gas contains a high carbon monoxide to hydrogen ratio as is present in a typical gasifier product. The reaction has potential for anhydrous ethanol production as carbon dioxide rather than water is produced. Selected transition metal carbonyls include those of iron, rhodium, ruthenium, manganese in combination with iron and possibly osmium. Selected amines include trimethylamine, N-Methylpyrrolidine, 2,4-diazabicyclooctane, dimethylneopentylamine, N-methylpiperidine and derivatives of N-methylpiperidine.

  16. Hygroscopicity Evaluation of Halide Scintillators

    SciTech Connect (OSTI)

    Zhuravleva, M; Stand, L; Wei, H; Hobbs, C. L.; Boatner, Lynn A; Ramey, Joanne Oxendine; Burger, Arnold; Rowe, E; Bhattacharya, P.; Tupitsyn, E; Melcher, Charles L

    2014-01-01

    A collaborative study of relative hygroscopicity of anhydrous halide scintillators grown at various laboratories is presented. We have developed a technique to evaluate moisture sensitivity of both raw materials and grown crystals, in which the moisture absorption rate is measured using a gravimetric analysis. Degradation of the scintillation performance was investigated by recording gamma-ray spectra and monitoring the photopeak position, count rate and energy resolution. The accompanying physical degradation of the samples exposed to ambient atmosphere was photographically recorded as well. The results were compared with ben

  17. Liquid-metal fast-breeder reactors: Preliminary safety and environmental information document. Volume VI

    SciTech Connect (OSTI)

    Not Available

    1980-01-01

    Information is presented concerning LMFBR design characteristics; uranium-plutonium/uranium recycle homogeneous core; uranium-plutonium/uranium spiked recycle heterogeneous core; uranium-plutonium/uranium spiked recycle homogeneous core; uranium-plutonium/thorium spiked recycle heterogeneous core; uranium-plutonium/thorium spiked recycle homogeneous core; thorium-plutonium/thorium spiked recycle homogeneous core; denatured uranium-233/thorium cycle homogeneous core; safety consideration for the LMFBR; and environmental considerations.

  18. Study of polymer molecules and conformations with a nanopore

    DOE Patents [OSTI]

    Golovchenko, Jene A. (Lexington, MA); Li, Jiali (Fayetteville, AR); Stein, Derek (Delft, NL); Gershow, Marc H. (Cambridge, MA)

    2010-12-07

    The invention features methods for evaluating the conformation of a polymer, for example, for determining the conformational distribution of a plurality of polymers and to detect binding or denaturation events. The methods employ a nanopore which the polymer, e.g., a nucleic acid, traverses. As the polymer traverses the nanopore, measurements of transport properties of the nanopore yield data on the conformation of the polymer.

  19. Study of polymer molecules and conformations with a nanopore

    DOE Patents [OSTI]

    Golovchenko, Jene A.; Li, Jiali; Stein, Derek; Gershow, Marc H.

    2013-03-12

    The invention features methods for evaluating the conformation of a polymer, for example, for determining the conformational distribution of a plurality of polymers and to detect binding or denaturation events. The methods employ a nanopore which the polymer, e.g., a nucleic acid, traverses. As the polymer traverses the nanopore, measurements of transport properties of the nanopore yield data on the conformation of the polymer.

  20. Heavy metal ions are potent inhibitors of protein folding

    SciTech Connect (OSTI)

    Sharma, Sandeep K. [Biochemisches Institut, Universitaet Zuerich, CH-8057 Zuerich (Switzerland); Departement de Biologie Moleculaire Vegetale, Universite de Lausanne, CH-1015 Lausanne (Switzerland); Goloubinoff, Pierre [Departement de Biologie Moleculaire Vegetale, Universite de Lausanne, CH-1015 Lausanne (Switzerland); Christen, Philipp [Biochemisches Institut, Universitaet Zuerich, CH-8057 Zuerich (Switzerland)], E-mail: christen@bioc.uzh.ch

    2008-07-25

    Environmental and occupational exposure to heavy metals such as cadmium, mercury and lead results in severe health hazards including prenatal and developmental defects. The deleterious effects of heavy metal ions have hitherto been attributed to their interactions with specific, particularly susceptible native proteins. Here, we report an as yet undescribed mode of heavy metal toxicity. Cd{sup 2+}, Hg{sup 2+} and Pb{sup 2+} proved to inhibit very efficiently the spontaneous refolding of chemically denatured proteins by forming high-affinity multidentate complexes with thiol and other functional groups (IC{sub 50} in the nanomolar range). With similar efficacy, the heavy metal ions inhibited the chaperone-assisted refolding of chemically denatured and heat-denatured proteins. Thus, the toxic effects of heavy metal ions may result as well from their interaction with the more readily accessible functional groups of proteins in nascent and other non-native form. The toxic scope of heavy metals seems to be substantially larger than assumed so far.

  1. Coolside waste management demonstration OCDO grant agreement No. CDO/D-902-9. Final report

    SciTech Connect (OSTI)

    Wu, M.; Winschel, R.A. [CONSOL Inc., Library, PA (United States). Research & Development

    1997-10-01

    The objectives of this project were to evaluate the potential utilization in road construction of wastes produced from the Coolside, LIMB (limestone injection multi-stage burner) and FBC (fluidized-bed combustion) processes, and to specify criteria for landfill disposal of waste from the Coolside process. These three processes are considered to be clean coal technologies. The Coolside process involves injecting an aqueous slurry of hydrated lime into the ductwork downstream of the air preheater in a coal-fired boiler. The hydrated lime captures sulfur dioxide from the flue gas producing anhydrous calcium sulfite and calcium sulfate, which are collected along with the unused hydrated lime and fly ash. The LIMB process involves injection of lime or hydrated lime directly into the furnace to capture sulfur dioxide. The waste consists principally of anhydrous calcium sulfate, lime, and fly ash. Both processes were demonstrated successfully at the Edgewater Station of Ohio Edison in Lorrain, OH, from 1989 to 1992. Circulating fluidized-bed combustion (FBC) is a commercial technology which combines steam generation with SO{sub 2} control by burning coal in a circulating bed of limestone. The waste, chemically similar to LIMB waste, is produced by bleed-off of the bed material and by collection of the flue dust. All three processes produce a dry solid waste, which must either be used or disposed of and managed to ensure environmental compliance and economic feasibility. The project was completed in June 1996.

  2. Development of an integrated, in-situ remediation technology. Draft topical report for task No. 9. Part II. Entitled: TCE degradation using non-biological methods, September 26, 1994--May 25, 1996

    SciTech Connect (OSTI)

    Orth, R.G.; McKenzie, D.E.

    1997-04-01

    Contamination in low permeability soils poses a significant technical challenge to in-situ remediation efforts. Poor accessibility to the contaminants and difficulty in delivery of treatment reagents have rendered existing in-situ treatments such as bioremediation, vapor extraction, pump and treat rather ineffective when applied to low permeability soils present at many contaminated sites. The technology is an integrated in-situ treatment in which established geotechnical methods are used to install degradation zones directly in the contaminated soil and electro-osmosis is utilized to move the contaminants back and forth through those zones until the treatment is completed. The use of zero valence iron for reductive dechlorination of aliphatic chlorinated hydrocarbons is currently under investigation by a number of research groups as a potential method of in-situ treatment of contaminated ground water. The reaction appears to involve the transfer of electrons to chloro-aliphatic compounds by the oxidation of zero valence iron to ferrous iron (Fe{sup +2}). Our studies have indicated that this reaction is consistent with those of corrosion, and as such, can be influenced or increased by the presence of small amounts of metals (5% by weight) such as copper, tin, silver, gold and palladium coated on the iron surface. Incomplete coverage of the iron surface with a more electropositive metal results in an open galvanic cell, which increases the oxidation of iron and facilitates and increases the concurrent reduction of trichloroethylene and other chlorinated aliphatic compounds to the corresponding alkenes and alkanes. Our results show that plating more electropositive metals onto certain iron surfaces results in approximately a factor of ten increase in the dechlorination rate of small organochlorine compounds such as TCE.

  3. Kinetic data base for combustion modeling

    SciTech Connect (OSTI)

    Tsang, W.; Herron, J.T. [National Institute of Standards and Technology, Gaithersburg, MD (United States)

    1993-12-01

    The aim of this work is to develop a set of evaluated rate constants for use in the simulation of hydrocarbon combustion. The approach has been to begin with the small molecules and then introduce larger species with the various structural elements that can be found in all hydrocarbon fuels and decomposition products. Currently, the data base contains most of the species present in combustion systems with up to four carbon atoms. Thus, practically all the structural grouping found in aliphatic compounds have now been captured. The direction of future work is the addition of aromatic compounds to the data base.

  4. Mechanistic and Structural Studies of Phenylalanine Hydroxylase from Chromobacterium violaceum 

    E-Print Network [OSTI]

    Panay Escobar, Aram Joel

    2011-10-21

    intermediate. iv Kinetic isotope effects were used to study the hydroxylation of the aliphatic substrate cyclohexylalanine. The Dkcat value with [1,2,2,3,3,4,4,5,5,6,6-2H11]- cyclohexylalanine is unity with wild-type CvPheH, suggesting that chemistry... Page 4.2 Chemical mechanism of aromatic amino acid hydroxylation .................... 60 4.3 Time course at 5 ?C for the formation of tyrosine from the reaction of CvPheH (1.6 mM):Fe(II) (1.5 mM):6-MePH4 (5 mM):Phe (5 mM): with an equal...

  5. Atomic Structures of Graphene, Benzene and Methane with Bond Lengths as Sums of the Single, Double and Resonance Bond Radii of Carbon

    E-Print Network [OSTI]

    Raji Heyrovska

    2008-04-25

    Two dimensional layers of graphene are currently drawing a great attention in fundamental and applied nanoscience. Graphene consists of interconnected hexagons of carbon atoms as in graphite. This article presents for the first time the structures of graphene at the atomic level and shows how it differs from that of benzene, due to the difference in the double bond and resonance bond based radii of carbon. The carbon atom of an aliphatic compound such as methane has a longer covalent single bond radius as in diamond. All the atomic structures presented here have been drawn to scale.

  6. Molecular Recognition: Preparation and Characterization of Two Tripodal Anion Receptors

    SciTech Connect (OSTI)

    Shokri, Alireza; Deng, Shihu; Wang, Xue B.; Kass, Steven R.

    2014-03-01

    Two new tripodal hydroxyl-based anion receptors (1 and 2) are reported and their molecular complexes with Cl–, H2PO4 –, and OAc– along with the (M–1)– ion of 1 were characterized by negative ion photoelectron spectroscopy in the gas phase and by binding constant determinations in four solvents (i.e., CDCl3, CD2Cl2, CD3COCD3, and CD3CN). An intramolecular hydrogen bond network (HBN) in hexaol 1 was found to diminish its binding whereas the triol 2 is the strongest aliphatic hydroxyl-based receptor to date.

  7. Degradation problems with the solvent extraction organic at Roessing uranium

    SciTech Connect (OSTI)

    Munyungano, Brodrick; Feather, Angus; Virnig, Michael

    2008-07-01

    Roessing Uranium Ltd recovers uranium from a low-grade ore in Namibia. Uranium is recovered and purified from an ion-exchange eluate in a solvent-extraction plant. The solvent-extraction plant uses Alamine 336 as the extractant for uranium, with isodecanol used as a phase modifier in Sasol SSX 210, an aliphatic hydrocarbon diluent. Since the plant started in the mid 1970's, there have been a few episodes where the tertiary amine has been quickly and severely degraded when the plant was operated outside certain operating parameters. The Rossing experience is discussed in more detail in this paper. (authors)

  8. Reuse of Drill Cutting Ash as a Stabilizing Agent for Niger Delta Soils

    E-Print Network [OSTI]

    Alayaki, F. M.; Al-Tabbaa, A.; Ayotamuno, M. J.

    2015-01-01

    operations. The waste product is a mixture of drilling mud (type depends on the crude oil company), base fluid (water, oil, or synthetic-oil), and crude oil. The waste product is stock-piled according to source/company and treated accordingly... . This was followed by clean-up and separation into aliphatic and aromatic fractions in a 10mm chromatographic column. The aromatic fraction was then concentrated to 1ml, transferred into the vials and analysed using Agilent 6890N/5975C GC/MS previously calibrated...

  9. The peculiar dust shell of Nova DZ Cru (2003).

    SciTech Connect (OSTI)

    Evans, A.; Gehrz, R. D.; Woodward, C. E.; Helton, L. A.; Rushton, M. T.; Bode, M. F.; Krautter, J.; Lyke, J.; Lynch, D. K.; Ness, J.-U.; Starrfield, S.; Truran, J. W.; Wagner, R. M.; Physics; Keele Univ.; Univ. of Minnesota; Univ. of Central Lancashire; Liverpool John Moores Univ.; Zentrum fur Astronomie der Univ. Heidelberg; M. W. Keck Observatory; The Aerospace Corp.; European Space Astronomy Centre; Arizona State Univ.; Univ. of Chicago; Large Binocular Telscope Observatory

    2010-01-01

    We present Spitzer Space Telescope observations of the 'peculiar variable' DZ Cru, identified by Rushton et al. as a classical nova. A dust shell, on which are superimposed a number of features, is prominent in the 5-35 {micro}m range some 4 yr after eruption. We suggest that the dust in DZ Cru is primarily hydrogenated amorphous carbon in which aliphatic bands currently predominate and which may become either predominantly aromatic as the dust is photoprocessed by ultraviolet radiation from the stellar remnant or more likely completely destroyed.

  10. R.W. Winters- The Texas Aggie 

    E-Print Network [OSTI]

    Unknown

    2011-08-17

    Sciences College of Pharmacy Chairman of' Advisory Committee: Mr. Charles L. Gilmore The effects of' shipment on recovery was investigated for three aliphatic hydrocarbons adsorbed on the 3M Company's $3500 Organic Vapor Monitor and the Scientific Kit... the course of this research. Their help and friendship has been invaluable. I would like to thank Dr's. Leon Anders and Frank Snowden of the 3M Company for the help they have given me. A special thanks must also go to Mr. Rod Simmons and Dr . Alan Hanks...

  11. Anodic polymerization of vinyl ethylene carbonate in Li-Ion battery electrolyte

    SciTech Connect (OSTI)

    Chen, Guoying; Zhuang, Guorong V.; Richardson, Thomas J.; Gao, Liu; Ross Jr., Philip N.

    2005-02-28

    A study of the anodic oxidation of vinyl ethylene carbonate (VEC) was conducted with post-mortem analysis of reaction products by ATR-FTIR and gel permeation chromatography (GPC). The half-wave potential (E1/2) for oxidation of VEC is ca. 3.6 V producing a resistive film on the electrode surface. GPC analysis of the film on a gold electrode produced by anodization of a commercial Li-ion battery electrolyte containing 2 percent VEC at 4.1 V showed the presence of a high molecular weight polymer. IR analysis indicated polycarbonate with alkyl carbonate rings linked by aliphatic methylene and methyl branches.

  12. L-asparagine crystals with wide gap semiconductor features: Optical absorption measurements and density functional theory computations

    SciTech Connect (OSTI)

    Zanatta, G.; Gottfried, C.; Silva, A. M.; Caetano, E. W. S.; Sales, F. A. M.; Freire, V. N.

    2014-03-28

    Results of optical absorption measurements are presented together with calculated structural, electronic, and optical properties for the anhydrous monoclinic L-asparagine crystal. Density functional theory (DFT) within the generalized gradient approximation (GGA) including dispersion effects (TS, Grimme) was employed to perform the calculations. The optical absorption measurements revealed that the anhydrous monoclinic L-asparagine crystal is a wide band gap material with 4.95 eV main gap energy. DFT-GGA+TS simulations, on the other hand, produced structural parameters in very good agreement with X-ray data. The lattice parameter differences ?a, ?b, ?c between theory and experiment were as small as 0.020, 0.051, and 0.022 Å, respectively. The calculated band gap energy is smaller than the experimental data by about 15%, with a 4.23 eV indirect band gap corresponding to Z???? and Z???? transitions. Three other indirect band gaps of 4.30 eV, 4.32 eV, and 4.36 eV are assigned to ?3 ???, ?1 ???, and ?2 ??? transitions, respectively. ?-sol computations, on the other hand, predict a main band gap of 5.00 eV, just 50 meV above the experimental value. Electronic wavefunctions mainly originating from O 2p–carboxyl, C 2p–side chain, and C 2p–carboxyl orbitals contribute most significantly to the highest valence and lowest conduction energy bands, respectively. By varying the lattice parameters from their converged equilibrium values, we show that the unit cell is less stiff along the b direction than for the a and c directions. Effective mass calculations suggest that hole transport behavior is more anisotropic than electron transport, but the mass values allow for some charge mobility except along a direction perpendicular to the molecular layers of L-asparagine which form the crystal, so anhydrous monoclinic L-asparagine crystals could behave as wide gap semiconductors. Finally, the calculations point to a high degree of optical anisotropy for the absorption and complex dielectric function, with more structured curves for incident light polarized along the 100 and 101 directions.

  13. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

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

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²?(bpy)? solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹?F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²?(bpy)? solute is rather different from the bulkmore »IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²?(bpy)? solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.« less

  14. Aromatic and polycyclic aromatic hydrocarbon formation in a laminar premixed n-butane flame

    SciTech Connect (OSTI)

    Marinov, N.M.; Pitz, W.J.; Westbrook, C.K.; Vincitore, A.M.; Castaldi, M.J.; Senkan, S.M.; Melius, C.F.

    1998-07-01

    Experimental and detailed chemical kinetic modeling work has been performed to investigate aromatic and polycyclic aromatic hydrocarbon (PAH) formation pathways in a premixed, rich, sooting, n-butane-oxygen-argon burner stabilized flame. An atmospheric pressure, laminar flat flame operated at an equivalence ratio of 2.6 was used to acquire experimental data for model validation. Gas composition analysis was conducted by an on-line gas chromatograph/mass spectrometer technique. Measurements were made in the main reaction and post-reaction zones for a number of low molecular weight species, aliphatics, aromatics, and polycyclic aromatic hydrocarbons (PAHs) ranging from two to five-fused aromatic rings. Reaction flux and sensitivity analysis were used to help identify the important reaction sequences leading to aromatic and PAH growth and destruction in the n-butane flame. Reaction flux analysis showed the propargyl recombination reaction was the dominant pathway to benzene formation. The consumption of propargyl by H atoms was shown to limit propargyl, benzene, and naphthalene formation in flames as exhibited by the large negative sensitivity coefficients. Naphthalene and phenanthrene production was shown to be plausibly formed through reactions involving resonantly stabilized cyclopentadienyl and indenyl radicals. Many of the low molecular weight aliphatics, combustion by-products, aromatics, branched aromatics, and PAHs were fairly well simulated by the model. Additional work is required to understand the formation mechanisms of phenyl acetylene, pyrene, and fluoranthene in the n-butane flame. 73 refs.

  15. The Transit Transmission Spectrum of a Cold Gas Giant Planet

    E-Print Network [OSTI]

    Dalba, Paul A; Fortney, Jonathan J; Hedman, Matthew M; Nicholson, Philip D; Veyette, Mark J

    2015-01-01

    We use solar occultations observed by the Visual and Infrared Mapping Spectrometer aboard the Cassini Spacecraft to extract the 1 to 5 micron transmission spectrum of Saturn, as if it were a transiting exoplanet. We detect absorption from methane, ethane, acetylene, aliphatic hydrocarbons, and possibly carbon monoxide with peak-to-peak features of up to 90 parts-per-million despite the presence of ammonia clouds. We also find that atmospheric refraction, as opposed to clouds or haze, determines the minimum altitude that could be probed during mid-transit. Self-consistent exoplanet atmosphere models show good agreement with Saturn's transmission spectrum but fail to reproduce a large absorption feature near 3.4 microns likely caused by gaseous ethane and a C-H stretching mode of an unknown aliphatic hydrocarbon. This large feature is located in one of the Spitzer Space Telescope bandpasses and could alter interpretations of transmission spectra if not properly modeled. The large signal in Saturn's transmission...

  16. Safe epoxy encapsulant for high voltage magnetics

    SciTech Connect (OSTI)

    Sanchez, R.O.; Archer, W.E.

    1998-01-01

    This paper describes the use of Formula 456, an aliphatic amine cured epoxy for impregnating coils and high voltage transformers. Sandia has evaluated a number of MDA-free epoxy encapsulants which relied on either anhydride or other aromatic amine curing agents. The use of aliphatic amine curing agents was more recently evaluated and has resulted in the definition of Formula 456 resin. Methylene dianiline (MDA) has been used for more than 20 years as the curing agent for various epoxy formulations throughout the Department of Energy and much of industry. Sandia National Laboratories began the process of replacing MDA with other formulations because of regulations imposed by OSHA on the use of MDA. OSHA has regulated MDA because it is a suspect carcinogen. Typically the elimination of OSHA-regulated materials provides a rare opportunity to qualify new formulations in a range of demanding applications. It was important to take full advantage of that opportunity, although the associated materials qualification effort was costly. Small high voltage transformers are one of those demanding applications. The successful implementation of the new formulation for high reliability transformers will be described. The test results that demonstrate the parts are qualified for use in DOE weapon systems will be presented.

  17. Computational Study of Bond Dissociation Enthalpies for Substituted $\\beta$-O-4 Lignin Model Compounds

    SciTech Connect (OSTI)

    Younker, Jarod M; Beste, Ariana; Buchanan III, A C

    2011-01-01

    The biopolymer lignin is a potential source of valuable chemicals. Phenethyl phenyl ether (PPE) is representative of the dominant $\\beta$-O-4 ether linkage. Density functional theory (DFT) is used to calculate the Boltzmann-weighted carbon-oxygen and carbon-carbon bond dissociation enthalpies (BDEs) of substituted PPE. These values are important in order to understand lignin decomposition. Exclusion of all conformers that have distributions of less than 5\\% at 298 K impacts the BDE by less than 1 kcal mol$^{-1}$. We find that aliphatic hydroxyl/methylhydroxyl substituents introduce only small changes to the BDEs (0-3 kcal mol$^{-1}$). Substitution on the phenyl ring at the $ortho$ position substantially lowers the C-O BDE, except in combination with the hydroxyl/methylhydroxyl substituents, where the effect of methoxy substitution is reduced by hydrogen bonding. Hydrogen bonding between the aliphatic substituents and the ether oxygen in the PPE derivatives has a significant influence on the BDE. CCSD(T)-calculated BDEs and hydrogen bond strengths of $ortho$-substituted anisoles when compared with M06-2X values confirm that the latter method is sufficient to describe the molecules studied and provide an important benchmark for lignin model compounds.

  18. The Influence of Process Conditions on the Chemical Composition of Pine Wood Catalytic Pyrolysis Oils

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

    Pereira, J.; Agblevor, F. A.; Beis, S. H.

    2012-01-01

    Pine wood samples were used as model feedstock to study the properties of catalytic fast pyrolysis oils. The influence of two commercial zeolite catalysts (BASF and SudChem) and pretreatment of the pine wood with sodium hydroxide on pyrolysis products were investigated. The pyrolysis oils were first fractionated using column chromatography and characterized using GC-MS. Long chain aliphatic hydrocarbons, levoglucosan, aldehydes and ketones, guaiacols/syringols, and benzenediols were the major compounds identified in the pyrolysis oils. The catalytic pyrolysis increased the polycyclic hydrocarbons fraction. Significant decreases in phthalate derivatives using SudChem and long chain aliphatics using BASF catalyst were observed. Significant amountsmore »of aromatic heterocyclic hydrocarbons and benzene derivatives were formed, respectively, using BASF and SudChem catalysts. Guaiacyl/syringyl and benzenediols derivatives were partly suppressed by the zeolite catalysts, while the sodium hydroxide treatment enriched phenolic derivatives. Zeolite catalyst and sodium hydroxide were employed together; they showed different results for each catalyst.« less

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

    SciTech Connect (OSTI)

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

    1988-12-01

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

  20. First-Principles Studies of Photoinduced Charge Transfer in Noncovalently Functionalized Carbon Nanotubes

    E-Print Network [OSTI]

    Chu, Iek-Heng; Cheng, Hai-Ping

    2013-01-01

    We have studied the energetics, electronic structure, optical excitation, and electron relaxation of dinitromethane molecules (CH$_{2}$N$_{2}$O$_{4}$) adsorbed on semiconducting carbon nanotubes (CNTs) of chiral index (n,0) (n=7, 10, 13, 16, 19). Using first-principles density functional theory (DFT) with generalized gradient approximations and van der Waals corrections, we have calculated adsorption energies of dinitropentylpyrene, in which the dinitromethane is linked to the pyrene via an aliphatic chain, on a CNT. A 75.26 kJ/mol binding energy has been found, which explains why such aliphatic chain-pyrene units can be and have been used in experiments to bind functional molecules to CNTs. The calculated electronic structures show that the dinitromethane introduces a localized state inside the band gap of CNT systems of n=10, 13, 16 and 19; such a state can trap an electron when the CNT is photoexcited. We have therefore investigated the dynamics of intra-band relaxations using the reduced density matrix fo...

  1. Characterization of the surface properties of Illinois basin coals. Final technical report, September 1, 1991--August 31, 1992

    SciTech Connect (OSTI)

    Demir, I.; Harvey, R.D.; Lizzio, A.A. [Illinois State Geological Survey, Champaign, IL (United States)

    1992-12-31

    Surface area and pore volume distributions, surface charge, and surface chemical structure of the eight coals in the Illinois Basin Coal Sample Program (IBCSP) were determined. The IBC-101 coal has the lowest total and micropore (3.5-20.0 {Angstrom}) surface areas. The IBC-103 coal has the lowest mesopore (20-500 {Angstrom}) surface area. The mesopore surface areas of IBC-101, IBC-102, and IBC-107 coals are higher than the other four coals. Pore volume in pores <1800 {Angstrom} in diameter varies almost five-fold with IBC-103 coal having the lowest value. These differences may affect the reactivity of these coals during cleaning, conversion, and combustion processes. Surface charge and isoelectric points vary among the samples. The isoelectric point, where processes such as agglomeration and dewatering is most efficient, shifted to higher pH values for some of the samples upon exposure to air oxidation at room temperature. Diffuse reflectance infrared spectroscopy (DRIS) data indicate that the surfaces of the IBCSP coals contain aromatic hydrocarbon components, aliphatic hydrocarbons, and an aldehyde group. Ball-mill grinding reduced the organic hydroxyls and thus enriched relative concentrations of nonpolar aliphatic functional groups in the samples. The room temperature air oxidation did not cause any significant change on the surface chemical structure of the coals.

  2. Evaluation of control strategies for volatile organic compounds in indoor air (journal article)

    SciTech Connect (OSTI)

    Ramanathan, K.; Debler, V.L.

    1988-01-01

    The paper discusses research which evaluates the application of adsorption techniques to the control of indoor organic vapors. The adsorption on activated carbon of three compounds representing three classes of organic species was studied at 30 C in the concentration range zero to 200 ppb using a microbalance. The three were benzene (aromatic), acetaldehyde (oxygenated aliphatic), and 1,1,1-trichloroethane (halogenated aliphatic). Three sorbents (a wood base carbon, a coal base carbon, and a coconut shell base carbon) were examined. Uptakes for all the compounds on all the carbons were low (on the order of 10 to the minus 7th power gmol/g carbon). Simulation of a packed bed of carbon indicated that carbon adsorption may not be practical for continuous removal, but may be applicable to sudden releases (e.g., spills). Potential alternatives to activated carbon adsorption are discussed. Potentially toxic organic vapors are emitted from a wide variety of building materials, consumer products, and human activities. Control of indoor organic vapors generally involves removing the source and/or increasing the ventilation rate. The ubiquitous nature of sources of organic vapors generally makes source removal impractical. Increased ventilation causes increased energy usage with its resultant economic penalties. Therefore, practical removal methods are needed.

  3. Far- and mid-infrared spectroscopy of complex organic matter of astrochemical interest: coal, heavy petroleum fractions, and asphaltenes

    E-Print Network [OSTI]

    Cataldo, F; Manchado, A

    2012-01-01

    The coexistence of a large variety of molecular species (i.e., aromatic, cycloaliphatic and aliphatic) in several astrophysical environments suggests that unidentified IR emission (UIE) occurs from small solid particles containing a mix of aromatic and aliphatic structures (e.g., coal, petroleum, etc.), renewing the astronomical interest on this type of materials. A series of heavy petroleum fractions namely DAE, RAE, BQ-1, and asphaltenes derived from BQ-1 were used together with anthracite coal and bitumen as model compounds in matching the band pattern of the emission features of proto-planetary nebulae (PPNe). All the model materials were examined in the mid-infrared (2.5-16.7 um) and for the first time in the far-infrared (16.7-200 um), and the IR bands were compared with the UIE from PPNe. The best match of the PPNe band pattern is offered by the BQ-1 heavy aromatic oil fraction and by its asphaltenes fraction. Particularly interesting is the ability of BQ-1 to match the band pattern of the aromatic-ali...

  4. Crosslinked Polyamide

    DOE Patents [OSTI]

    Huang, Zhi H. (East Lansing, MI); McDonald, William F. (Utica, OH); Wright, Stacy C. (Lansing, MI); Taylor, Andrew C. (Ann Arbor, MI)

    2002-06-04

    A crosslinked polyamide material and a process for preparing the crosslinked polyamide material are disclosed. The crosslinked polyamide material comprises a crosslinked chemical combination of (1) a polyamide of the formula: ##STR1## wherein n is between about 50 and 10,000, wherein each R is between 1 and 50 carbon atoms alone and is optionally substituted with heteroatoms, oxygen, nitrogen, sulfur, or phosphorus and combinations thereof, wherein multiple of the R are in vertically aligned spaced relationship along a backbone forming the polyamide, and wherein two or more of the R contain an amino group; and (2) a crosslinking agent containing at least two functional groups capable of reacting with the amino groups of the polyamide. In one embodiment of the invention, the crosslinking agent is an aliphatic or aromatic isocyanate compound having 2 or more --N.dbd.C.dbd.O groups. In another embodiment of the invention, the crosslinking agent is an aliphatic aldehyde or aromatic aldehyde compound having 2 or more --CHO groups. In still another embodiment of the invention, the crosslinking agent is selected from a phosphine having the general formula (A).sub.2 P(B) and mixtures thereof, wherein A is hydroxyalkyl, and B is hydroxyalkyl, alkyl, or aryl. In yet another embodiment of the invention, the crosslinking agent is selected from the group consisting of epoxy resins having more than one epoxide group per molecule.

  5. Aluminum phosphate ceramics for waste storage

    SciTech Connect (OSTI)

    Wagh, Arun; Maloney, Martin D

    2014-06-03

    The present disclosure describes solid waste forms and methods of processing waste. In one particular implementation, the invention provides a method of processing waste that may be particularly suitable for processing hazardous waste. In this method, a waste component is combined with an aluminum oxide and an acidic phosphate component in a slurry. A molar ratio of aluminum to phosphorus in the slurry is greater than one. Water in the slurry may be evaporated while mixing the slurry at a temperature of about 140-200.degree. C. The mixed slurry may be allowed to cure into a solid waste form. This solid waste form includes an anhydrous aluminum phosphate with at least a residual portion of the waste component bound therein.

  6. Structural and thermal studies of H{sub 2}La{sub 2/3}Ta{sub 2}O{sub 7}, a protonated layered perovskite

    SciTech Connect (OSTI)

    Le Berre, F.; Crosnier-Lopez, M.P.; Fourquet, J.L.

    2006-04-13

    We have synthesised the new protonated layered perovskite H{sub 2}La{sub 2/3}Ta{sub 2}O{sub 7} which is related to the Ruddlesden-Popper family. This compound is obtained by ionic exchange starting from Li{sub 2}La{sub 2/3}Ta{sub 2}O{sub 7} maintained in dilute HNO{sub 3} at 60 deg. C. Thermal X-ray diffraction and DTA/TGA revealed interesting dehydration properties with formation of a layered anhydrous phase leading at higher temperature (1550 deg. C) to La{sub 1/3}TaO{sub 3}. This latter compound exhibits the original lanthanum ordering expected similarly to that of the Li form, while at 900 deg. C a metastable form, presenting a disordered La distribution, is observed.

  7. Phase states of water near the surface of a polymer membrane. Phase microscopy and luminescence spectroscopy experiments

    SciTech Connect (OSTI)

    Bunkin, N. F., E-mail: nbunkin@kapella.gpi.ru [Russian Academy of Sciences, Prokhorov General Physics Institute (Russian Federation); Gorelik, V. S. [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Kozlov, V. A., E-mail: v.kozlov@hotmail.com; Shkirin, A. V., E-mail: avshkirin@mephi.ru; Suyazov, N. V., E-mail: nvs@kapella.gpi.ru [Russian Academy of Sciences, Prokhorov General Physics Institute (Russian Federation)

    2014-11-15

    Phase microscopy is used to show that the refractive index in the near-surface layer of water at the surface of a polymer Nafion membrane increases by a factor of 1.1 as compared to bulk water. Moreover, this layer exhibits birefringence. Experiments on UV irradiation of dry (anhydrous) and water-soaked Nafion are performed in grazing-incidence geometry to study their stimulated luminescence spectra. These spectra are found to be identical in both cases. For dry Nafion, luminescence can only be excited if probing radiation illuminates the polymer surface. The luminescence of water-soaked Nafion can also be excited if the distance between the optical axis and the surface is several hundred micrometers.

  8. Quantum discord in spin-cluster materials

    E-Print Network [OSTI]

    M. A. Yurischev

    2011-04-07

    The total quantum correlation (discord) in Heisenberg dimers is expressed via the spin-spin correlation function, internal energy, specific heat or magnetic susceptibility. This allows one to indirectly measure the discord through neutron scattering, as well as calorimetric or magnetometric experiments. Using the available experimental data, we found the discord for a number of binuclear Heisenberg substances with both antiferro- and ferromagnetic interactions. For the dimerized antiferromagnet copper nitrate Cu(NO_3)_2*2.5H_2O, the three independent experimental methods named above lead to a discord of approximately 0.2-0.3 bit/dimer at a temperature of 4 K. We also determined the temperature behavior of discord for hydrated and anhydrous copper acetates, as well as for the ferromagnetic binuclear copper acetate complex [Cu_2L(OAc)]*6H_2O, where L is a ligand.

  9. Hydrocracking process

    SciTech Connect (OSTI)

    Ward, J.W.; Carlson, T.L.; Millman, W.S.

    1989-05-02

    A hydrocracking process is described which comprises contacting a hydrocarbon feedstock under hydrocracking conditions with hydrogen in the presence of a hydrocracking catalyst comprising a Group VIB metal component or a non-noble Group VIII metal component on a support comprising a zeolite aluminosilicate having a mode ratio of oxides in the anhydrous state of (0.85 -1.1)M/sub 2/n/O:Al/sub 2/O/sub 3/:xSiO/sub 2/. M is a cation having a valence of ''n'' and ''x'' has a value above 9.0, the aluminosilicate having been hydrothermally treated with resultant shrinkage in the unit cell size followed by an ammonium cation exchange.

  10. Aspects of uranium chemistry pertaining to UF{sub 6} cylinder handling

    SciTech Connect (OSTI)

    Ritter, R.L.; Barber, E.J. [Martin Marietta Energy Systems, Inc., Oak Ridge, TN (United States)

    1991-12-31

    Under normal conditions, the bulk of UF{sub 6} in storage cylinders will be in the solid state with an overpressure of gaseous UF{sub 6} well below one atmosphere. Corrosion of the interior of the cylinder will be very slow, with formation of a small amount of reduced fluoride, probably U{sub 2}F{sub 9}. The UO{sub 3}-HF-H{sub 2}O phase diagram indicates that reaction of any inleaking water vapor with the solid UF{sub 6} will generate the solid material [H{sub 3}O]{sub 2}(U(OH){sub 4}F{sub 4}) in equilibrium with an aqueous HF solution containing only small amounts of uranium. The corrosion of the steel cylinder by these materials may be enhanced over that observed with gaseous anhydrous UF{sub 6}.

  11. Sorption of selected volatile organic constituents of jet fuels and solvents on natural sorbents from gas and solutions phases. Final report, April 1985-September 1987

    SciTech Connect (OSTI)

    Rao, P.S.; Rhue, R.D.; Johnson, C.T.; Oguada, R.A.

    1988-08-01

    Sorption of selected volatile organic constituents (VOC) of jet fuels and solvents on several natural sorbents from the gas and aqueous phases was investigated. The sorbates studied were: trans-1,2-dichloroethylene; 1,2-dichloroethane; trichloroethylene; 1,1,2,2-tetrachloroethane; toluene; ethylbenzene; p-xylene; o-xylene; and cyclohexane. The sorbents used included clays (kaolin, montmorillonite, SAz-1), soils (Webster and Oldsmar), and aquifer materials (Borden and Lula). Sorption from the vapor phase was studied using three techniques; the headspace analysis method, dynamic-flow method, and a gas chromatographic method. Sorption of VOC on anhydrous sorbents and sorbents in equilibrium with water at different relative humidities was examined. The energetics of sorption were characterized by measuring VOC sorption at several temperatures.

  12. Nucleophilic fluorination of aromatic compounds

    DOE Patents [OSTI]

    Satyamurthy, Nagichettiar; Barrio, Jorge R

    2014-03-18

    Iodylbenzene derivatives substituted with electron donating as well as electron withdrawing groups on the aromatic ring are used as precursors in aromatic nucleophilic substitution reactions. The iodyl group (IO.sub.2) is regiospecifically substituted by nucleophilic fluoride to provide the corresponding fluoroaryl derivatives. No-carrier-added [F-18]fluoride ion derived from anhydrous [F-18](F/Kryptofix, [F-18]CsF or a quaternary ammonium fluoride (e.g., Me.sub.4NF, Et.sub.4NF, n-Bu.sub.4NF, (PhCH.sub.2).sub.4NF) exclusively substitutes the iodyl moiety in these derivatives and provides high specific activity F-18 labeled fluoroaryl analogs. Iodyl derivatives of a benzothiazole analog and 6-iodyl-L-dopa derivatives have been synthesized as precursors and have been used in the preparation of no-carrier-added [F-18]fluorobenzothiazole as well as 6-[F-18]fluoro-L-dopa.

  13. Germ cells of the centipede Strigamia maritima are specified early in embryonic development

    E-Print Network [OSTI]

    Green, Jack E.; Akam, Michael

    2014-06-12

    primers were designed such that the amplified products crossed exon-intron boundaries. PCR products were visualized on 1% agarose gel with 0.1 ng/?l ethidium bromide. PCRs were run under the following conditions: an initial denaturation step of 95 1C for 8... vasa and nanos2 were used for all further experiments. Note the Strigamia genome contains only a single copy of the vasa gene, but two copies of nanos, nanos1 and nanos2. Both the Strigamia nanos paralogues possess the conserved double CCHC Zinc finger...

  14. Chip-based sequencing nucleic acids

    DOE Patents [OSTI]

    Beer, Neil Reginald

    2014-08-26

    A system for fast DNA sequencing by amplification of genetic material within microreactors, denaturing, demulsifying, and then sequencing the material, while retaining it in a PCR/sequencing zone by a magnetic field. One embodiment includes sequencing nucleic acids on a microchip that includes a microchannel flow channel in the microchip. The nucleic acids are isolated and hybridized to magnetic nanoparticles or to magnetic polystyrene-coated beads. Microreactor droplets are formed in the microchannel flow channel. The microreactor droplets containing the nucleic acids and the magnetic nanoparticles are retained in a magnetic trap in the microchannel flow channel and sequenced.

  15. Phylogenetic revision of desert fireflies (Coleoptera: Lampyridae: microphotus) 

    E-Print Network [OSTI]

    Usener, Jessica LeAnn

    2006-04-12

    sequences were amplified via PCR in a Peltier thermal cycler (PTC-200) using the following conditions: an initial denaturation at 95?C for 150 s, annealing at 45?C for 30 11 s, and extension at 72?C for 60 s for a total of 36 cycles, followed by 72?C... extension for 5 min. Luciferase sequences were amplified via PCR in a Peltier thermal cycler (PTC- 200) under the following conditions: 95?C for 150 s, 55?C for 30 s, and 72?C for 60 s for a total of 36 cycles, followed by 72?C for 5 min. All PCR products...

  16. Highly thermostable fluorescent proteins

    DOE Patents [OSTI]

    Bradbury, Andrew M. (Santa Fe, NM); Waldo, Geoffrey S. (Santa Fe, NM); Kiss, Csaba (Los Alamos, NM)

    2011-03-22

    Thermostable fluorescent proteins (TSFPs), methods for generating these and other stability-enhanced proteins, polynucleotides encoding such proteins, and assays and method for using the TSFPs and TSFP-encoding nucleic acid molecules are provided. The TSFPs of the invention show extremely enhanced levels of stability and thermotolerance. In one case, for example, a TSFP of the invention is so stable it can be heated to 99.degree. C. for short periods of time without denaturing, and retains 85% of its fluorescence when heated to 80.degree. C. for several minutes. The invention also provides a method for generating stability-enhanced variants of a protein, including but not limited to fluorescent proteins.

  17. Highly thermostable fluorescent proteins

    DOE Patents [OSTI]

    Bradbury, Andrew M. (Santa Fe, NM); Waldo, Geoffrey S. (Santa Fe, NM); Kiss, Csaba (Los Alamos, NM)

    2011-11-29

    Thermostable fluorescent proteins (TSFPs), methods for generating these and other stability-enhanced proteins, polynucleotides encoding such proteins, and assays and method for using the TSFPs and TSFP-encoding nucleic acid molecules are provided. The TSFPs of the invention show extremely enhanced levels of stability and thermotolerance. In one case, for example, a TSFP of the invention is so stable it can be heated to 99.degree. C. for short periods of time without denaturing, and retains 85% of its fluorescence when heated to 80.degree. C. for several minutes. The invention also provides a method for generating stability-enhanced variants of a protein, including but not limited to fluorescent proteins.

  18. Highly thermostable fluorescent proteins

    DOE Patents [OSTI]

    Bradbury, Andrew M. (Santa Fe, NM); Waldo, Geoffrey S. (Santa Fe, NM); Kiss, Csaba (Los Alamos, NM)

    2012-05-01

    Thermostable fluorescent proteins (TSFPs), methods for generating these and other stability-enhanced proteins, polynucleotides encoding such proteins, and assays and method for using the TSFPs and TSFP-encoding nucleic acid molecules are provided. The TSFPs of the invention show extremely enhanced levels of stability and thermotolerance. In one case, for example, a TSFP of the invention is so stable it can be heated to 99.degree. C. for short periods of time without denaturing, and retains 85% of its fluorescence when heated to 80.degree. C. for several minutes. The invention also provides a method for generating stability-enhanced variants of a protein, including but not limited to fluorescent proteins.

  19. Nanoscale topographical replication of graphene architecture by artificial DNA nanostructures

    SciTech Connect (OSTI)

    Moon, Y.; Seo, S.; Park, J.; Park, T.; Ahn, J. R., E-mail: jrahn@skku.edu [Department of Physics, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Shin, J.; Dugasani, S. R. [Sungkyunkwan Advanced Institute of Nanotechnology (SAINT), Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Woo, S. H. [College of Pharmacy, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Park, S. H., E-mail: sunghapark@skku.edu [Department of Physics, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Sungkyunkwan Advanced Institute of Nanotechnology (SAINT), Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2014-06-09

    Despite many studies on how geometry can be used to control the electronic properties of graphene, certain limitations to fabrication of designed graphene nanostructures exist. Here, we demonstrate controlled topographical replication of graphene by artificial deoxyribonucleic acid (DNA) nanostructures. Owing to the high degree of geometrical freedom of DNA nanostructures, we controlled the nanoscale topography of graphene. The topography of graphene replicated from DNA nanostructures showed enhanced thermal stability and revealed an interesting negative temperature coefficient of sheet resistivity when underlying DNA nanostructures were denatured at high temperatures.

  20. A new RNASeq-based reference transcriptome for sugar beet and its application in transcriptome-scale analysis of vernalization and gibberellin responses

    E-Print Network [OSTI]

    Mutasa-Gottgens, Effie S; Joshi, Anagha; Holmes, Helen F; Hedden, Peter; Gottgens, Berthold

    2012-03-19

    in any medium, provided the original work is properly cited. Background Sugar beet crops account for about 30% of world sugar production and are important in Europe, North Amer- ica, and increasingly in Asia, South America and North Africa. In temperate... , optimised at 150 nM and 60°C. Next, the integrity of the RNA samples was confirmed on a standard denaturing formaldehyde RNA gel and by BvEF1a RT-PCR. Minimum 30 ?g aliquots of total RNA for each treatment were then sent for custom sequencing prior to which...

  1. Spontaneous CO Release from RuII(CO)2–Protein Complexes in Aqueous Solution, Cells, and Mice

    E-Print Network [OSTI]

    Chaves-Ferreira, Miguel; Albuquerque, Inźs S.; Matak-Vinkovic, Dijana; Coelho, Ana C.; Carvalho, Sandra M.; Saraiva, Lķgia M.; Romćo, Carlos C.; Bernardes, Gonēalo J. L.

    2014-12-04

    stream_source_info Chaves_Ferreira_et_al-2015-Angewandte_Chemie_International_Edition.pdf.txt stream_content_type text/plain stream_size 21359 Content-Encoding UTF-8 stream_name Chaves_Ferreira_et_al-2015-Angewandte_Chemie... denaturing conditions. c) ESI-MS analysis of CO release from HEWL–RuII(CO)2 at 0, 2, and 4 h in aqueous buffered solution (PBS pH 7.4). Angewandte Chemie 1173Angew. Chem. Int. Ed. 2015, 54, 1172 –1175 ? 2015 The Authors. Published by Wiley-VCH Verlag Gmb...

  2. Resistance proof, folding-inhibitor drugs

    E-Print Network [OSTI]

    R. Broglia; G. Tiana; R. Berera

    2002-10-09

    Conventional drugs work, as a rule, by inhibiting the enzymatic activity of specific proteins, capping their active site. In this paper we present a model of non- conventional drug design based on the inhibiting effects small peptides obtained from segments of the protein itself have on the folding ability of the system. Such peptides attach to the newly expressed (unfolded) protein and inhibit its folding, inhibition which cannot be avoided but through mutations which in any case denaturate the enzyme. These peptides, or their mimetic molecules, can be used as effective alternative drugs to those already available, displaying the advantage of not suffering from the upraise of resistence.

  3. Mitochondrial genomes reveal an explosive radiation of extinct and extant bears near the Miocene-Pliocene boundary

    E-Print Network [OSTI]

    Krause, Johannes; Unger, Tina; Nocon, Aline; Malaspinas, Anna-Sapfo; Kolokotronis, Sergios-Orestis; Stiller, Mathias; Soibelzon, Leopoldo; Spriggs, Helen; Dear, Paul H.; Briggs, Adrian W.; Bray, Sarah C. E.; O'Brien, Stephen J.; Rabeder, Gernot; Matheus, Paul; Cooper, Alan; Slatkin, Montgomery; Paabo, Svante; Hofreiter, Michael

    2008-07-28

    ball bearing in a Mikro-Dismembrator (Sartaurius) at 3000 rpm in sterilized stainless steel canisters. The powder was then decalcified overnight in 10-20 ml of 0.5M EDTA (pH 8) on a rotary mixer at room temperature. The decalcified bone sediment... -55 cycles of 94 °C denaturation for 15 sec, annealing for 15-20 sec at 55 °C, and extension at 6 For the American giant short-faced bear in total 395 bp of the mtDNA were replicated in two fragments at the Australian Centre for Ancient DNA...

  4. Hypoxia/reoxygenation-mediated induction of astrocyte interleukin 6: a paracrine mechanism potentially enhancing neuron survival.

    E-Print Network [OSTI]

    Maeda, Y.; Matsumoto, M.; Hori, O.; Kuwabara, K.; Ogawa, S.; Yan, Shirley ShiDu; Ohtsuki, T.; Kinoshita, T.; Kamada, T.; Stern, David M.

    1994-12-01

    and GTP (0.5 ram each) in the pres- ence c~-[32p]UTP (250/~Ci, 3,000 Ci/mmol; New England Nu- clear). The positive controls for induction of Ib6 transcription were nuclei isolated from astrocytes treated with LPS (10 ng/ml; Sigma Chemical Co.) for 4 h.... Samples were subjected to phenol/chloro- form extraction, and RNA was precipitated and resuspended in hybridization buffer. Hybridization to denatured murine Ib6 (20 /~g) and human ~-actin (5/~g; control) dot blotted onto nylon mem- branes was performed...

  5. Comparative analysis of the folding dynamics and kinetics of an engineered knotted protein and its variants derived from HP0242 of Helicobacter pylori

    E-Print Network [OSTI]

    Wang, Liang-Wei; Liu, Yu-Nan; Lyu, Ping-Chiang; Jackson, Sophie E.; Hsu, Shang-Te Danny

    2015-01-01

    is the gas constant and T is the sample temperature, which is 298 K. Theses parameters are subsequently used to calculate the free energy of unfolding associated with this reaction is follows: ! " G N #D = #RT ln k u H 2 O k f H 2 O... -values, which are indicative of parallel folding pathways, the same may also apply to wt HP0242. We next carried out an unconventional double-jump refolding experiment whereby the denatured protein was first refolded to intermediate state to build up...

  6. Molecular Siganture and Sources of Biochemical Recalcitrance of Organic C in Amozonian Dark Earths

    SciTech Connect (OSTI)

    Solomon,D.; Lehmann, J.; Thies, J.; Schafer, T.; Liang, B.; Kinyangi, J.; Neves, E.; Peterson, J.; Liuzao, F.; Skjemstad, J.

    2007-01-01

    Amazonian Dark Earths (ADE) are a unique type of soils developed through intense anthropogenic activities that transformed the original soils into Anthrosols throughout the Brazilian Amazon Basin. We conducted a comparative molecular-level investigation of soil organic C (SOC) speciation in ADE (ages between 600 and 8700 years B.P.) and adjacent soils using ultraviolet photo-oxidation coupled with {sup 13}C cross polarization-magic angle spinning nuclear magnetic resonance (CP-MAS NMR), synchrotron-based Fourier transform infrared-attenuated total reflectance (Sr-FTIR-ATR) and C (1s) near edge X-ray absorption fine structure (NEXAFS) spectroscopy to obtain deeper insights into the structural chemistry and sources of refractory organic C compounds in ADE. Our results show that the functional group chemistry of SOC in ADE was considerably different from adjacent soils. The SOC in ADE was enriched with: (i) aromatic-C structures mostly from H- and C-substituted aryl-C, (ii) O-rich organic C forms from carboxylic-C, aldehyde-C, ketonic-C and quinine-C, and (iii) diverse group of refractory aliphatic-C moieties. The SOC in adjacent soils was predominantly composed of O-alkyl-C and methoxyl-C/N-alkyl-C structures and elements of labile aliphatic-C functionalities. Our study suggests that the inherent molecular structures of organic C due to selective accumulation of highly refractory aryl-C structures seems to be the key factor for the biochemical recalcitrance and stability of SOC in ADE. Anthropogenic enrichment with charred carbonaceous residues from biomass-derived black C (BC) is presumed to be the precursor of these recalcitrant polyaromatic structures. Our results also highlight the complementary role that might be played by organic C compounds composed of O-containing organic C moieties and aliphatic-C structures that persisted for millennia in these anthropic soils as additional or secondary sources of chemical recalcitrance of SOC in ADE. These organic C compounds could be the products of: (i) primary recalcitrant biomolecules from non-BC sources or (ii) secondary processes involving microbial mediated oxidative or extracellular neoformation reactions of SOC from BC and non-BC sources; and stabilized through physical inaccessibility to decomposers due to sorption onto the surface or into porous structures of BC particles, selective preservation or through intermolecular interactions involving clay and BC particles.

  7. Determining orientation and direction of DNA sequences

    DOE Patents [OSTI]

    Goodwin, Edwin H. (Los Alamos, NM); Meyne, Julianne (Los Alamos, NM)

    2000-01-01

    Determining orientation and direction of DNA sequences. A method by which fluorescence in situ hybridization can be made strand specific is described. Cell cultures are grown in a medium containing a halogenated nucleotide. The analog is partially incorporated in one DNA strand of each chromatid. This substitution takes place in opposite strands of the two sister chromatids. After staining with the fluorescent DNA-binding dye Hoechst 33258, cells are exposed to long-wavelength ultraviolet light which results in numerous strand nicks. These nicks enable the substituted strand to be denatured and solubilized by heat, treatment with high or low pH aqueous solutions, or by immersing the strands in 2.times.SSC (0.3M NaCl+0.03M sodium citrate), to name three procedures. It is unnecessary to enzymatically digest the strands using Exo III or another exonuclease in order to excise and solubilize nucleotides starting at the sites of the nicks. The denaturing/solubilizing process removes most of the substituted strand while leaving the prereplication strand largely intact. Hybridization of a single-stranded probe of a tandem repeat arranged in a head-to-tail orientation will result in hybridization only to the chromatid with the complementary strand present.

  8. Theoretical Perspectives on Protein Folding

    E-Print Network [OSTI]

    D. Thirumalai; Edward P. O'Brien; Greg Morrison; Changbong Hyeon

    2010-07-18

    Understanding how monomeric proteins fold under in vitro conditions is crucial to describing their functions in the cellular context. Significant advances both in theory and experiments have resulted in a conceptual framework for describing the folding mechanisms of globular proteins. The experimental data and theoretical methods have revealed the multifaceted character of proteins. Proteins exhibit universal features that can be determined using only the number of amino acid residues (N) and polymer concepts. The sizes of proteins in the denatured and folded states, cooperativity of the folding transition, dispersions in the melting temperatures at the residue level, and time scales of folding are to a large extent determined by N. The consequences of finite N especially on how individual residues order upon folding depends on the topology of the folded states. Such intricate details can be predicted using the Molecular Transfer Model that combines simulations with measured transfer free energies of protein building blocks from water to the desired concentration of the denaturant. By watching one molecule fold at a time, using single molecule methods, the validity of the theoretically anticipated heterogeneity in the folding routes, and the N-dependent time scales for the three stages in the approach to the native state have been established. Despite the successes of theory, of which only a few examples are documented here, we conclude that much remains to be done to solve the "protein folding problem" in the broadest sense.

  9. Physics of base-pairing dynamics in DNA

    E-Print Network [OSTI]

    Manoel Manghi; Nicolas Destainville

    2015-10-19

    As a key molecule of Life, Deoxyribonucleic acid (DNA) is the focus of numbers of investigations with the help of biological, chemical and physical techniques. From a physical point of view, both experimental and theoretical works have brought quantitative insights into DNA base-pairing dynamics that we review in this Report, putting emphasis on theoretical developments. We discuss the dynamics at the base-pair scale and its pivotal coupling with the polymer one, with a polymerization index running from a few nucleotides to tens of kilo-bases. This includes opening and closure of short hairpins and oligomers as well as zipping and unwinding of long macromolecules. We review how different physical mechanisms are either used by Nature or utilized in biotechnological processes to separate the two intertwined DNA strands, by insisting on quantitative results. They go from thermally-assisted denaturation bubble nucleation to force- or torque- driven mechanisms. We show that the helical character of the molecule, possibly supercoiled, can play a key role in many denaturation and renaturation processes. We categorize the mechanisms according to the relative timescales associated with base-pairing and chain degrees of freedom such as bending and torsional elastic ones. In some specific situations, these chain degrees of freedom can be integrated out, and the quasi- static approximation is valid. The complex dynamics then reduces to the diffusion in a low-dimensional free-energy landscape. In contrast, some important cases of experimental interest necessarily appeal to far-from-equilibrium statistical mechanics and hydrodynamics.

  10. Nonhazardous solvent composition and method for cleaning metal surfaces

    DOE Patents [OSTI]

    Googin, J.M.; Simandl, R.F.; Thompson, L.M.

    1993-05-04

    A solvent composition for displacing greasy and oily contaminants as well as water and/or aqueous residue from metallic surfaces, especially surfaces of radioactive materials so that such surfaces can be wiped clean of the displaced contaminants, water and/or aqueous residue. The solvent composition consists essentially of a blend of nonpolar aliphatic hydrocarbon solvent having a minimum flash point of about 140 F and 2 to 25 volume percent of a polar solvent having a flash point sufficiently high so as to provide the solvent composition with a minimum flash point of at least 140 F. The solvent composition is nonhazardous so that when it is used to clean the surfaces of radioactive materials the waste in the form of paper or cloth wipes, lab coats and the like used in the cleaning operation is not considered to be mixed waste composed of a hazardous solvent and a radioactive material.

  11. Reduction of Aromatic Hydrocarbons by Zero-Valent Iron and Palladium Catalyst

    SciTech Connect (OSTI)

    Kim, Young-Hun; Shin, Won Sik; Ko, Seok-Oh; Kim, Myung-Chul

    2004-03-31

    Permeable reactive barrier (PRB) is an alternative technology for soil and groundwater remediation. Zero valent iron, which is the most popular PRB material, is only applicable to halogenated aliphatic organics and some heavy metals. The objective of this study was to investigate reductive dechlorination of halogenated compounds and reduction of non-halogenated aromatic hydrocarbons using zero valent metals (ZVMs) and catalysts as reactive materials for PRBs. A group of small aromatic hydrocarbons such as monochlorophenols, phenol and benzene were readily reduced with palladium catalyst and zero valent iron. Poly-aromatic hydrocarbons (PAHs) were also tested with the catalysts and zero valent metal combinations. The aromatic rings were reduced and partly reduced PAHs were found as the daughter compounds. The current study demonstrates reduction of aromatic compounds by ZVMs and modified catalysts and implicates that PRB is applicable not only for halogenated organic compounds but nonhalogenated aromatic compounds such as PAHs.

  12. Method and apparatus for synthesizing hydrocarbons

    DOE Patents [OSTI]

    Colmenares, C.A.; Somorjai, G.A.; Maj, J.J.

    1985-04-16

    A method and apparatus for synthesizing a mixture of aliphatic alcohols having five carbons or less is disclosed. An equal molar ratio of CO and H/sub 2/ gases is caused to pass through a ThO/sub 2/ catalyst having a surface area of about 80 to 125 m/sup 2//g. The catalyst further optionally includes Na ions present as substitutional cations in an amount of about 5 to 10 atom %. At a temperature of about 570 to 630/sup 0/K, and at pressures of about 20 to 50 atm, methanol and isobutanol are the predominant products and are produced in amounts of about 90 wt % of the total hydrocarbon mixture. 6 figs.

  13. Substantially isotactic, linear, alternating copolymers of carbon monoxide and an olefin

    DOE Patents [OSTI]

    Sen, A.; Jiang, Z.

    1996-05-28

    The compound, [Pd(Me-DUPHOS)(MeCN){sub 2}](BF{sub 4}){sub 2}, [Me-DUPHOS: 1,2-bis(2,5-dimethylphospholano)benzene] is an effective catalyst for the highly enantioselective, alternating copolymerization of olefins, such as aliphatic {alpha}-olefins, with carbon monoxide to form optically active, isotactic polymers which can serve as excellent starting materials for the synthesis of other classes of chiral polymers. For example, the complete reduction of a propylene-carbon monoxide copolymer resulted in the formation of a novel, optically active poly(1,4-alcohol). Also, the previously described catalyst is a catalyst for the novel alternating isomerization cooligomerization of 2-butene with carbon monoxide to form optically active, isotactic poly(1,5-ketone).

  14. Substantially isotactic, linear, alternating copolymers of carbon monoxide and an olefin

    DOE Patents [OSTI]

    Sen, Ayusman (State College, PA); Jiang, Zhaozhong (State College, PA)

    1996-01-01

    The compound, [Pd(Me-DUPHOS)(MeCN).sub.2 ](BF.sub.4).sub.2, [Me-DUPHOS: 1,2-bis(2,5-dimethylphospholano)benzene] is an effective catalyst for the highly enantioselective, alternating copolymerization of olefins, such as aliphatic .alpha.-olefins, with carbon monoxide to form optically active, isotactic polymers which can serve as excellent starting materials for the synthesis of other classes of chiral polymers. For example, the complete reduction of a propylene-carbon monoxide copolymer resulted in the formation of a novel, optically active poly(1,4-alcohol). Also, the previously described catalyst is a catalyst for the novel alternating isomerization cooligomerization of 2-butene with carbon monoxide to form optically active, isotactic poly(1,5-ketone)

  15. Water soluble laser dyes

    DOE Patents [OSTI]

    Hammond, P.R.; Feeman, J.F.; Field, G.F.

    1998-08-11

    Novel water soluble dyes of the formula 1 are provided by the formula described in the paper wherein R{sup 1} and R{sup 4} are alkyl of 1 to 4 carbon atoms or hydrogen; or R{sup 1}--R{sup 2} or R{sup 2}--R{sup 4} form part of aliphatic heterocyclic rings; R{sup 2} is hydrogen or joined with R{sup 1} or R{sup 4} as described above; R{sup 3} is --(CH{sub 2}){sub m}--SO{sub 3}{sup {minus}}, where m is 1 to 6; X is N, CH or formula 2 given in paper where Y is 2 --SO{sub 3}{sup {minus}} ; Z is 3, 4, 5 or 6 --SO{sub 3}{sup {minus}}. The novel dyes are particularly useful as the active media in water solution dye lasers.

  16. Interactions between silver nanoparticles and polyvinyl alcohol nanofibers

    SciTech Connect (OSTI)

    Chou, H. L.; Wu, C. M.; Lin, F. D.; Rick, J.

    2014-08-15

    The interaction of polyvinylalcohol (PVA) nanofibers with silver (Ag) nanoparticles (mean diameter 8nm) has been modeled using density functional theory (DFT) calculations. The physical adsorption of PVA through the hydroxyl group, to the Ag, and its corresponding molecular orientation was compared with experimental results obtained from surface-enhanced Raman scattering (SERS) studies of the same material. A good agreement was found between the computational model of the vibrational spectrum of the adsorbate and the experimentally observed SERS. In general, aliphatic capping molecules are used to passivate the surface of Ag{sub 55} nanocrystals (55 = atomic number of Ag). In this study, a DFT simulation was employed to show binding energies and electron contour map analyses of Ag{sub 55} with PVA. Here we show that the PVA interacts with the Ag nanoparticle's surface, through the OH group, thereby contributing significantly to the increase in SERS activity.

  17. Protein Vivisection Reveals Elusive Intermediates in Folding

    SciTech Connect (OSTI)

    Zheng, Zhongzhou; Sosnick, Tobin R. (UC)

    2010-05-25

    Although most folding intermediates escape detection, their characterization is crucial to the elucidation of folding mechanisms. Here, we outline a powerful strategy to populate partially unfolded intermediates: A buried aliphatic residue is substituted with a charged residue (e.g., Leu {yields} Glu{sup -}) to destabilize and unfold a specific region of the protein. We applied this strategy to ubiquitin, reversibly trapping a folding intermediate in which the {beta}5-strand is unfolded. The intermediate refolds to a native-like structure upon charge neutralization under mildly acidic conditions. Characterization of the trapped intermediate using NMR and hydrogen exchange methods identifies a second folding intermediate and reveals the order and free energies of the two major folding events on the native side of the rate-limiting step. This general strategy may be combined with other methods and have broad applications in the study of protein folding and other reactions that require trapping of high-energy states.

  18. Nonhazardous solvent composition and method for cleaning metal surfaces

    DOE Patents [OSTI]

    Googin, John M. (Oak Ridge, TN); Simandl, Ronald F. (Farragut, TN); Thompson, Lisa M. (Knoxville, TN)

    1993-01-01

    A solvent composition for displacing greasy and oily contaminants as well as water and/or aqueous residue from metallic surfaces, especially surfaces of radioactive materials so that such surfaces can be wiped clean of the displaced contaminants, water and/or aqueous residue. The solvent composition consists essentially of a blend of nonpolar aliphatic hydrocarbon solvent having a minimum flash point of about 140.degree. F. and 2 to 25 volume percent of a polar solvent having a flash point sufficiently high so as to provide the solvent composition with a minimum flash point of at least 140.degree. F. The solvent composition is nonhazardous so that when it is used to clean the surfaces of radioactive materials the waste in the form of paper or cloth wipes, lab coats and the like used in the cleaning operation is not considered to be mixed waste composed of a hazardous solvent and a radioactive material.

  19. N,N'-DICYCLOHEXYL-N"-ISOTRIDECYLGUANIDINE AS SUPPRESSOR FOR THE NEXT GENERATION CAUSTIC SIDE SOLVENT EXTRACTION (NG-CSSX) PROCESS

    SciTech Connect (OSTI)

    Duncan, Nathan C; Roach, Benjamin D; Williams, Neil J; Bonnesen, Peter V; Rajbanshi, Arbin; Moyer, Bruce A

    2012-01-01

    ABSTRACT The purity, concentration, and source of the N,N'-dicyclohexyl-N"-isotridecylguanidine (DCiTG) suppressor (guanidine) used in the NG-CSSX process were found to influence solvent performance. As the starting isotridecanol used in the preparation of DCiTG is comprised of a mixture of branched-chain aliphatic alcohols, varying in composition with manufacturer, the resulting DCiTG itself is a mixture. Thus, it is necessary to address how the solvent performance will be affected by the different preparations of the DCiTG solvent component. In this study, four preparations of DCiTG from three sources were analyzed and evaluated for purity and performance, both in the absence and presence of an anionic surfactant impurity.

  20. Bending elasticity of a curved amphiphilic film decorated anchored copolymers: a small angle neutron scattering study

    E-Print Network [OSTI]

    Jacqueline Appell; Christian Ligoure; Gregoire Porte

    2004-06-30

    Microemulsion droplets (oil in water stabilized by a surfactant film) are progressively decorated with increasing amounts of poly ethylene- oxide (PEO) chains anchored in the film by the short aliphatic chain grafted at one end of the PEO chain . The evolution of the bending elasticity of the surfactant film with increasing decoration is deduced from the evolution in size and polydispersity of the droplets as reflected by small angle neutron scattering. The optimum curvature radius decreases while the bending rigidity modulus remains practically constant. The experimental results compare well with the predictions of a model developed for the bending properties of a curved film decorated by non-adsorbing polymer chains, which takes into account, the finite curvature of the film and the free diffusion of the chains on the film.

  1. Reactor and method for hydrocracking carbonaceous material

    DOE Patents [OSTI]

    Duncan, Dennis A. (Downers Grove, IL); Beeson, Justin L. (Clarendon Hills, IL); Oberle, R. Donald (Hammond, IN); Dirksen, Henry A. (Harvey, IL)

    1980-01-01

    Solid, carbonaceous material is cracked in the presence of hydrogen or other reducing gas to provide aliphatic and aromatic hydrocarbons of lower molecular weight for gaseous and liquid fuels. The carbonaceous material, such as coal, is entrained as finely divided particles in a flow of reducing gas and preheated to near the decomposition temperature of the high molecular weight polymers. Within the reactor, small quantities of oxygen containing gas are injected at a plurality of discrete points to burn corresponding amounts of the hydrogen or other fuel and elevate the mixture to high temperatures sufficient to decompose the high molecular weight, carbonaceous solids. Turbulent mixing at each injection point rapidly quenches the material to a more moderate bulk temperature. Additional quenching after the final injection point can be performed by direct contact with quench gas or oil. The reactions are carried out in the presence of a hydrogen-containing reducing gas at moderate to high pressure which stabilizes the products.

  2. On the origin of the 11.3 micron unidentified infrared emission feature

    E-Print Network [OSTI]

    Sadjadi, SeyedAbdolreza; Kwok, Sun

    2015-01-01

    The 11.3 $\\mu$m emission feature is a prominent member of the family of unidentified infrared emission (UIE) bands and is frequently attributed to out-of-plane bending modes of polycyclic aromatic hydrocarbon (PAH) molecules. We have performed quantum mechanical calculations of 60 neutral PAH molecules and found that it is difficult to reconcile the observed astronomical feature with any or a mix of these PAH molecules. We have further analyzed the fitting of spectra of several astronomical objects by the NASA PAH database program and found that reasonable fittings to the observed spectra are only possible by including significant contributions from oxygen and/or magnesium containing molecules in the mix. A mixed of pure PAH molecules, even including units of different sizes, geometry and charged states, is unable to fit the astronomical spectra. Preliminary theoretical results on the vibrational spectra of simple molecules with mixed aromatic/aliphatic structures show that these structures have consistent bu...

  3. Systematic modulation and enhancement of CO{sub 2} : N{sub 2} selectivity and water stability in an isoreticular series of bio-MOF-11 analogues

    SciTech Connect (OSTI)

    Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.

    2013-02-01

    An isoreticular series of cobalt-adeninate bio-MOFs (bio-MOFs 11-14) is reported. The pores of bio-MOFs 11-14 are decorated with acetate, propionate, butyrate, and valerate, respectively. The nitrogen (N{sub 2}) and carbon dioxide (CO{sub 2}) adsorption properties of these materials are studied and compared. The isosteric heats of adsorption for CO{sub 2} are calculated, and the CO{sub 2}:N{sub 2} selectivities for each material are 10 determined. As the lengths of the aliphatic chains decorating the pores in bio-MOFs 11-14 increase, the BET surface areas decrease from 1148 m{sup 2}/g to 17 m{sup 2}/g while the CO{sub 2}:N{sub 2} selectivities predicted from ideal adsorbed solution theory at 1 bar and 273 K for a 10:90 CO{sub 2}:N{sub 2} mixture range from 73:1 for bio-MOF-11 to 123:1 for bio-MOF-12 and finally to 107:1 for bio-MOF-13. At 298 K, the selectivities are 43:1 for bio-MOF-11, 52:1 for bio-MOF-12, and 40:1 for bio-MOF-13. Additionally, it is shown that 15 bio-MOF-14 exhibits a unique molecular sieving property that allows it to adsorb CO{sub 2} but not N{sub 2} at 273 and 298 K. Finally, the water stability of bio-MOFs 11-14 increases with increasing aliphatic chain length. Bio-MOF-14 exhibits no loss of crystallinity or porosity after soaking in water for one month.

  4. New high pressure rare earth tantalates RE{sub x}Ta{sub 2}O{sub 5+1.5x} (RE=La, Eu, Yb)

    SciTech Connect (OSTI)

    Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Nikishina, Elena E.; Lebedeva, Elena N.

    2013-07-15

    Rare earth tantalates La{sub 0.075}Ta{sub 2}O{sub 5.113}, Eu{sub 0.089}Ta{sub 2}O{sub 5.134} and Yb{sub 0.051}Ta{sub 2}O{sub 5.077} have been prepared by solid state reaction at P=7.0 GPa and T=1050–1100 °C and studied by X-ray diffraction, thermal analysis and electron microscopy. Low hydrated amorphous tantalum, lanthanum, europium and ytterbium hydroxides were used as starting materials. Aqueous as well as anhydrous compounds were obtained. Title tantalates are crystallized in the structure type of F–Ta{sub 2}O{sub 5} [Zibrov et al. Russ. J. Inorg. Chem. 48 (2003) 464–471] [5]. The structure was refined by the Rietveld method from X-ray powder diffractometer data: La{sub 0.075}Ta{sub 2}O{sub 5.113}, a=10.5099(2), b=7.2679(1), c=6.9765(1) Å, V=532.90(1) Å{sup 3}, Z=6, space group Ibam; Eu{sub 0.089}Ta{sub 2}O{sub 5.134}, a=10.4182(3), b=7.2685(1), c=6.9832(1) Å, V=528.80(2) Å{sup 3}, Z=6, space group Ibam; Yb{sub 0.051}Ta{sub 2}O{sub 5.077}, a=10.4557(2), b=7.3853(1), c=6.8923(1) Å, V=532.21(1) Å{sup 3}, Z=6, space group Ibam. RE atoms do not replace the tantalum in its positions but the only water in the channels of the structure. Highly charged cations RE{sup +3} compress the unit cell so that its volume becomes less than that of F–Ta{sub 2}O{sub 5}. Significant decrease of the unit cell volume after water removal from the structure is possible due to the puckering of pentagonal bipyramid layers and change of the corrugation angle in the layer. - Graphical abstract: The structure of RE{sub x}Ta{sub 2}O{sub 5+1.5x} and its HRTEM image (“A” arrows show empty channel, “B” arrows show filled channel). - Highlights: • We synthesized new tantalates of RE under high pressure high temperature conditions. • RE atoms replace water molecules in the channels of the structure. • Aqueous as well as anhydrous tantalates were obtained. • Highly charged cations RE{sup +3} compress the unit cell decreasing RE–O distances.

  5. Ground-state proton-transfer tautomer of the salicylate anion

    SciTech Connect (OSTI)

    Friedrich, D.M.; Wang, Z.; Joly, A.G.; Peterson, K.A.; Callis, P.R.

    1999-12-02

    Solutions of sodium salicylate in anhydrous polar solvents exhibit a weak, temperature-dependent absorption band ({lambda}{sub max} {approx} 325 nm) lying in the Stokes gap between the main absorption (296 nm) and the fluorescence band (396 nm, acetonitrile). This weak, longer wavelength absorption band is hardly observable in aqueous solution, but its intensity increases with temperature and increases with polarity in anhydrous organic solvents in the order of ethanol < acetonitrile < dimethyl sulfoxide at room temperature. After correction for solvent thermal contraction, the temperature-dependent absorption spectrum of salicylate in acetonitrile solutions reveals a clear isosbestic point ({epsilon}{sub 310}= 2,000 M{sup {minus}1} cm{sup {minus}1}) characteristic of an equilibrium between two salicylate species with band-maximum extinction coefficients of {epsilon}{sub 325} = 3,400 M{sup {minus}1} cm{sup {minus}1} and {epsilon}{sub 296} = 3,586 M{sup {minus}1} cm{sup {minus}1}. In acetonitrile at room temperature (298 K) the concentration equilibrium constant (minor/major) for the interconversion reaction between the two species is K{sub 298} = 0.11, with {Delta}H = 1.6 kcal mol{sup {minus}1} and {Delta}S = 0.97 cal{center{underscore}dot}mol{sup {minus}1} K{sup {minus}1}. The fluorescence lifetime (4.8 ns in acetonitrile) and the shape of the fluorescence spectrum are independent of excitation wavelength. The fluorescence quantum yield for excitation in the long-wavelength shoulder (340 nm) is approximately 60% larger than the yield for excitation in the main band at 296 nm ({phi}{sub 340} = 0.29, {phi}{sub 296} = 0.18) in acetonitrile at room temperature. These results are consistent with assignment of the shoulder band to the proton-transfer tautomer of the salicylate anion. Electronic structure calculations support assignment of the 325 nm absorption band to the ground-state tautomer (phenoxide anion form) of the salicylate anion. Absorption transition moments for both the normal and tautomer forms are parallel to the emission transition moment, are electronically allowed, and are consistent with {sup 1}L{sub b} assignment for both absorbing and emitting transitions. The static dipole moments are in the order of {mu}(N*) {ge} {mu}(N) > {mu}(T*) > {mu}(T) for the normal (N) and tautomer (T) ground and electronic excited states.

  6. SANS and DLS Studies of Protein Unfolding in Presence of Urea and Surfactant

    SciTech Connect (OSTI)

    Aswal, V. K.; Chodankar, S. N.; Wagh, A. G. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Kohlbrecher, J.; Vavrin, R. [Laboratory for Neutron Scattering, ETH Zurich and Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland)

    2008-03-17

    Small-angle neutron scattering (SANS) and dynamic light scattering (DLS) have been used to study conformational changes in protein bovine serum albumin (BSA) during its unfolding in presence of protein denaturating agents urea and surfactant. On addition of urea, the BSA protein unfolds for urea concentrations greater than 4 M and acquires a random coil configuration with its radius of gyration increasing with urea concentration. The addition of surfactant unfolds the protein by the formation of micelle-like aggregates of surfactants along the unfolded polypeptide chains of the protein. The fractal dimension of such a protein-surfactant complex decreases and the overall size of the complex increases on increasing the surfactant concentration. The conformation of the unfolded protein in the complex has been determined directly using contrast variation SANS measurements by contrast matching the surfactant to the medium. Results of DLS measurements are found to be in good agreement with those obtained using SANS.

  7. ECB deacylase mutants

    DOE Patents [OSTI]

    Arnold, Frances H. (Pasadena, CA); Shao, Zhixin (Penzberg, DE); Zhao, Huimin (San Diego, CA); Giver, Lorraine J. (Sunnyvale, CA)

    2002-01-01

    A method for in vitro mutagenesis and recombination of polynucleotide sequences based on polymerase-catalyzed extension of primer oligonucleotides is disclosed. The method involves priming template polynucleotide(s) with random-sequences or defined-sequence primers to generate a pool of short DNA fragments with a low level of point mutations. The DNA fragments are subjected to denaturization followed by annealing and further enzyme-catalyzed DNA polymerization. This procedure is repeated a sufficient number of times to produce full-length genes which comprise mutants of the original template polynucleotides. These genes can be further amplified by the polymerase chain reaction and cloned into a vector for expression of the encoded proteins.

  8. Recombination of polynucleotide sequences using random or defined primers

    DOE Patents [OSTI]

    Arnold, Frances H. (Pasadena, CA); Shao, Zhixin (Pasadena, CA); Affholter, Joseph A. (Midland, MI); Zhao, Huimin (Pasadena, CA); Giver, Lorraine J. (Pasadena, CA)

    2001-01-01

    A method for in vitro mutagenesis and recombination of polynucleotide sequences based on polymerase-catalyzed extension of primer oligonucleotides is disclosed. The method involves priming template polynucleotide(s) with random-sequences or defined-sequence primers to generate a pool of short DNA fragments with a low level of point mutations. The DNA fragments are subjected to denaturization followed by annealing and further enzyme-catalyzed DNA polymerization. This procedure is repeated a sufficient number of times to produce full-length genes which comprise mutants of the original template polynucleotides. These genes can be further amplified by the polymerase chain reaction and cloned into a vector for expression of the encoded proteins.

  9. Recombination of polynucleotide sequences using random or defined primers

    DOE Patents [OSTI]

    Arnold, Frances H. (Pasadena, CA); Shao, Zhixin (Pasadena, CA); Affholter, Joseph A. (Midland, MI); Zhao, Huimin H (San Diego, CA); Giver, Lorraine J. (Sunnyvale, CA)

    2000-01-01

    A method for in vitro mutagenesis and recombination of polynucleotide sequences based on polymerase-catalyzed extension of primer oligonucleotides is disclosed. The method involves priming template polynucleotide(s) with random-sequences or defined-sequence primers to generate a pool of short DNA fragments with a low level of point mutations. The DNA fragments are subjected to denaturization followed by annealing and further enzyme-catalyzed DNA polymerization. This procedure is repeated a sufficient number of times to produce full-length genes which comprise mutants of the original template polynucleotides. These genes can be further amplified by the polymerase chain reaction and cloned into a vector for expression of the encoded proteins.

  10. Putting the Squeeze on Biology: Biomolecules Under Pressure

    ScienceCinema (OSTI)

    Sol Gruner

    2010-01-08

    Modest pressures encountered in the biosphere (i.e., below a few kbar) have extraordinary effects on biomembranes and proteins. These include pressure denaturation of proteins, dramatic changes in protein-protein association, substrate binding, membrane ion transport, DNA transcription, virus infectivity, and enzyme kinetics. Yet all of the biomaterials involved are highly incompressible. The challenge to the physicist is to understand the structural coupling between these effects and pressure to elucidate the relevant mechanisms. X-ray diffraction studies of membranes and proteins under pressure will be described. It is seen that it is not so much the magnitude of the changes, but rather the differential compressibilities of different parts of the structure that are responsible for effects.

  11. Project report to STB/UO, Northern New Mexico Community College two- year college initiative: Biotechnology

    SciTech Connect (OSTI)

    1996-03-01

    This report summarizes the experiences gained in a project involving faculty direct undergraduate research focused on biotechnology and its applications. The biology program at Northern New Mexico Community College has been involved in screening for mutations in human DNA and has developed the ability to perform many standard and advanced molecular biology techniques. Most of these are based around the polymerase chain reaction (PCR) and include the use of single strand conformation polymorphism analysis (SSCP), denaturing gradient gel electrophoresis (DGGE) in the screening for mutant DNA molecules, and the capability to sequence PCR generated fragments of DNA using non-isotopic imaging. At Northern, these activities have a two-fold objective: (1) to bring current molecular biology techniques to the teaching laboratory, and (2) to support the training of minority undergraduates in research areas that stimulate them to pursue advanced degrees in the sciences.

  12. Ultrasound-Stimulated Acoustic Emission in Thermal Image-Guided HIFU Therapy: A Phantom Study

    SciTech Connect (OSTI)

    Jiang, C. P.; Lin, W. T. [Biomedical Engineering Center, Industrial Technology Research Institute, Hsinchu, Taiwan (China); Chen, W. S. [Department of Physical Medicine and Rehabilitation, National Taiwan University Hospital, Taipei, Taiwan (China)

    2006-05-08

    Magnetic resonance image (MRI) is a promising monitoring tool for non-invasive real-time thermal guidance in high intensity focused ultrasound (HIFU) during thermal ablation surgery. However, this approach has two main drawbacks: 1) majority of components need to be redesigned to be MR compatible in order to avoid effecting MR images, and 2) the cost of operating MRI facilities is high. Alternately, ultrasound-stimulated acoustic emission (USAE) method has been applied for detecting thermal variations in tissues. An optical transparent phantom, made from polyacrylamide, containing thermal sensitive indicator protein (Bovine Serum Albumin), was prepared for observing the HIFU-induced denaturalization. A thermal-couple was set up for validation of temperature distribution. Experimental results show that thermal image can be captured clearly under stationary conditions.

  13. Protein folding and cosmology

    E-Print Network [OSTI]

    P. F. Gonzalez-Diaz; C. L. Siguenza

    1997-06-04

    Protein denaturing induced by supercooling is interpreted as a process where some or all internal symmetries of the native protein are spontaneously broken. Hence, the free-energy potential corresponding to a folding-funnel landscape becomes temperature-dependent and describes a phase transition. The idea that deformed vortices could be produced in the transition induced by temperature quenching, from native proteins to unfolded conformations is discussed in terms of the Zurek mechanism that implements the analogy between vortices, created in the laboratory at low energy, and the cosmic strings which are thought to have been left after symmetry breaking phase transitions in the early universe. An experiment is proposed to test the above idea which generalizes the cosmological analogy to also encompass biological systems and push a step ahead the view that protein folding is a biological equivalent of the big bang.

  14. Monitoring Biological Activity at Geothermal Power Plants

    SciTech Connect (OSTI)

    Peter Pryfogle

    2005-09-01

    The economic impact of microbial growth in geothermal power plants has been estimated to be as high as $500,000 annually for a 100 MWe plant. Many methods are available to monitor biological activity at these facilities; however, very few plants have any on-line monitoring program in place. Metal coupon, selective culturing (MPN), total organic carbon (TOC), adenosine triphosphate (ATP), respirometry, phospholipid fatty acid (PLFA), and denaturing gradient gel electrophoresis (DGGE) characterizations have been conducted using water samples collected from geothermal plants located in California and Utah. In addition, the on-line performance of a commercial electrochemical monitor, the BIoGEORGE?, has been evaluated during extended deployments at geothermal facilities. This report provides a review of these techniques, presents data on their application from laboratory and field studies, and discusses their value in characterizing and monitoring biological activities at geothermal power plants.

  15. Engineering and Characterization of a Superfolder Green Fluorescent Protein

    SciTech Connect (OSTI)

    Pedelacq,J.; Cabantous, S.; Tran, T.; Terwilliger, T.; Waldo, G.

    2006-01-01

    Existing variants of green fluorescent protein (GFP) often misfold when expressed as fusions with other proteins. We have generated a robustly folded version of GFP, called 'superfolder' GFP, that folds well even when fused to poorly folded polypeptides. Compared to 'folding reporter' GFP, a folding-enhanced GFP containing the 'cycle-3' mutations and the 'enhanced GFP' mutations F64L and S65T, superfolder GFP shows improved tolerance of circular permutation, greater resistance to chemical denaturants and improved folding kinetics. The fluorescence of Escherichia coli cells expressing each of eighteen proteins from Pyrobaculum aerophilum as fusions with superfolder GFP was proportional to total protein expression. In contrast, fluorescence of folding reporter GFP fusion proteins was strongly correlated with the productive folding yield of the passenger protein. X-ray crystallographic structural analyses helped explain the enhanced folding of superfolder GFP relative to folding reporter GFP.

  16. A Heterospecific Leucine Zipper Tetramer

    SciTech Connect (OSTI)

    Deng, Y.; Liu, J; Zheng, Q; Li, Q; Kallenbach, N; Lu, M

    2008-01-01

    Protein-protein interactions dictate the assembly of the macromolecular complexes essential for functional networks and cellular behavior. Elucidating principles of molecular recognition governing important interfaces such as coiled coils is a challenging goal for structural and systems biology. We report here that two valine-containing mutants of the GCN4 leucine zipper that fold individually as four-stranded coiled coils associate preferentially in mixtures to form an antiparallel, heterotetrameric structure. X-ray crystallographic analysis reveals that the coinciding hydrophobic interfaces of the hetero- and homotetramers differ in detail, explaining their partnering and structural specificity. Equilibrium disulfide exchange and thermal denaturation experiments show that the 50-fold preference for heterospecificity results from a combination of preferential packing and hydrophobicity. The extent of preference is sensitive to the side chains comprising the interface. Thus, heterotypic versus homotypic interaction specificity in coiled coils reflects a delicate balance in complementarity of shape and chemistry of the participating side chains.

  17. Flow cytometric measurement of total DNA and incorporated halodeoxyuridine

    DOE Patents [OSTI]

    Dolbeare, F.A.; Gray, J.W.

    1983-10-18

    A method for the simultaneous flow cylometric measurement of total cellular DNA content and of the uptake of DNA precursors as a measure of DNA synthesis during various phases of the cell cycle in normal and malignant cells in vitro and in vivo is described. The method comprises reacting cells with labelled halodeoxyuridine (HdU), partially denaturing cellular DNA, adding to the reaction medium monoclonal antibodies (mabs) reactive with HdU, reacting the bound mabs with a second labelled antibody, incubating the mixture with a DNA stain, and measuring simultaneously the intensity of the DNA stain as a measure of the total cellular DNA and the HdU incorporated as a measure of DNA synthesis. (ACR)

  18. Tower reactors for bioconversion of lignocellulosic material

    DOE Patents [OSTI]

    Nguyen, Q.A.

    1998-03-31

    An apparatus is disclosed for enzymatic hydrolysis and fermentation of pretreated lignocellulosic material. The apparatus consists of a tower bioreactor which has mixers to achieve intermittent mixing of the material. Precise mixing of the material is important for effective heat and mass transfer requirements without damaging or denaturing the enzymes or fermenting microorganisms. The pretreated material, generally in the form of a slurry, is pumped through the bioreactor, either upwards or downwards, and is mixed periodically as it passes through the mixing zones where the mixers are located. For a thin slurry, alternate mixing can be achieved by a pumping loop which also serves as a heat transfer device. Additional heat transfer takes place through the reactor heat transfer jackets. 5 figs.

  19. Tower reactors for bioconversion of lignocellulosic material

    DOE Patents [OSTI]

    Nguyen, Q.A.

    1999-03-30

    An apparatus is described for enzymatic hydrolysis and fermentation of pretreated lignocellulosic material, in the form of a tower bioreactor, having mixers to achieve intermittent mixing of the material. Precise mixing of the material is important for effective heat and mass transfer requirements without damaging or denaturing the enzymes or fermenting microorganisms. The pretreated material, generally in the form of a slurry, is pumped through the bioreactor, either upwards or downwards, and is mixed periodically as it passes through the mixing zones where the mixers are located. For a thin slurry, alternate mixing can be achieved by a pumping loop which also serves as a heat transfer device. Additional heat transfer takes place through the reactor heat transfer jackets. 5 figs.

  20. Compositional and in Vitro Evaluation of Nonwoven Type I Collagen/Poly-dl-lactic Acid Scaffolds for Bone Regeneration

    E-Print Network [OSTI]

    Qiao, Xiangchen; Yang, Xuebin; Tronci, Giuseppe; Wood, David J

    2015-01-01

    Poly-dl-lactic acid (PDLLA) was blended with type I collagen to attempt to overcome the instantaneous gelation of electrospun collagen scaffolds in biological environments. Scaffolds based on blends of type I collagen and PDLLA were investigated for material stability in cell culture conditions (37 {\\deg}C; 5% CO2) in which post-electrospinning glutaraldehyde crosslinking was also applied. The resulting wet-stable webs were cultured with bone marrow stromal cells (HBMSC) for five weeks. Scanning electron microscopy (SEM), confocal laser scanning microscopy (CLSM), Fourier transform infra-red spectroscopy (FTIR) and biochemical assays were used to characterise the scaffolds and the consequent cell-scaffold constructs. To investigate any electrospinning-induced denaturation of collagen, identical PDLLA/collagen and PDLLA/gelatine blends were electrospun and their potential to promote osteogenic differentiation investigated. PDLLA/collagen blends with w/w ratios of 40/60, 60/40 and 80/20 resulted in satisfactory...

  1. Tower reactors for bioconversion of lignocellulosic material

    DOE Patents [OSTI]

    Nguyen, Quang A. (16458 W. 1st Ave., Golden, CO 80401)

    1998-01-01

    An apparatus for enzymatic hydrolysis and fermentation of pretreated lignocellulosic material, in the form of a tower bioreactor, having mixers to achieve intermittent mixing of the material. Precise mixing of the material is important for effective heat and mass transfer requirements without damaging or denaturing the enzymes or fermenting microorganisms. The pretreated material, generally in the form of a slurry, is pumped through the bioreactor, either upwards of downwards, and is mixed periodically as it passes through the mixing zones where the mixers are located. For a thin slurry, alternate mixing can be achieved by a pumping loop which also serves as a heat transfer device. Additional heat transfer takes place through the reactor heat transfer jackets.

  2. Tower reactors for bioconversion of lignocellulosic material

    DOE Patents [OSTI]

    Nguyen, Quang A. (16458 W. 1st Ave., Golden, CO 80401)

    1999-01-01

    An apparatus for enzymatic hydrolysis and fermentation of pretreated lignocellulosic material, in the form of a tower bioreactor, having mixers to achieve intermittent mixing of the material. Precise mixing of the material is important for effective heat and mass transfer requirements without damaging or denaturing the enzymes or fermenting microorganisms. The pretreated material, generally in the form of a slurry, is pumped through the bioreactor, either upwards or downwards, and is mixed periodically as it passes through the mixing zones where the mixers are located. For a thin slurry, alternate mixing can be achieved by a pumping loop which also serves as a heat transfer device. Additional heat transfer takes place through the reactor heat transfer jackets.

  3. Structural and functional characterization of the hazelnut allergen Cor a 8

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

    Offermann, Lesa R.; Bublin, Merima; Perdue, Makenzie L.; Pfeifer, Sabine; Dubiela, Pawel; Borowski, Tomasz; Chruszcz, Maksymilian; Hoffmann-Sommergruber, Karin

    2015-09-28

    Nonspecific lipid transfer proteins (nsLTPs) are basic proteins, stabilized by four disulfide bonds, and are expressed throughout the plant kingdom. These proteins are also known as important allergens in fruits and tree nuts. In this study, the nsLTP from hazelnuts, Cor a 8, was purified and its crystal structure determined. The protein is stable at low pH and refolds after thermal denaturation. Molecular dynamics simulations were used to provide an insight into conformational changes of Cor a 8 upon ligand binding. When known epitope areas from Pru p 3 were compared to those of Cor a 8, differences were obvious,more »which may contribute to limited cross-reactivity between peach and hazelnut allergens. The differences in epitope regions may contribute to limited cross-reactivity between Cor a 8 and nsLTPs from other plant sources. The structure of Cor a 8 represents the first resolved structure of a hazelnut allergen.« less

  4. Alternatives to traditional transportation fuels 1994. Volume 1

    SciTech Connect (OSTI)

    1996-02-01

    In this report, alternative and replacement fuels are defined in accordance with the EPACT. Section 301 of the EPACT defines alternative fuels as: methanol, denatured ethanol, and other alcohols; mixtures containing 85% or more (or such other percentage, but not less than 70%, as determined by the Secretary of Energy, by rule, to provide for requirements relating to cold start, safety, or vehicle functions) by volume of methanol, denatured ethanol, and other alcohols with gasoline or other fuels; natural gas; liquefied petroleum gas; hydrogen; coal-derived liquid fuels; fuels (other than alcohol) derived from biological materials; electricity (including electricity from solar energy); and any other fuel the Secretary determines, by rule, is substantially not petroleum and would yield substantial energy security benefits and substantial environmental benefits. The EPACT defines replacement fuels as the portion of any motor fuel that is methanol, ethanol, or other alcohols, natural gas, liquefied petroleum gas, hydrogen, coal-derived liquid fuels, fuels (other than alcohol) derived from biological materials, electricity (including electricity from solar energy), ethers, or any other fuel the Secretary of Energy determines, by rule, is substantially not petroleum and would yield substantial energy security benefits and substantial environmental benefits. This report covers only those alternative and replacement fuels cited in the EPACT that are currently commercially available or produced in significant quantities for vehicle demonstration purposes. Information about other fuels, such as hydrogen and biodiesel, will be included in later reports as those fuels become more widely used. Annual data are presented for 1992 to 1996. Data for 1996 are based on plans or projections for 1996.

  5. Micro-PIXE (proton-induced X-ray emission) study of the effects of fluoride on mineral distribution patterns in enamel and dentin in the developing hamster tooth germ

    SciTech Connect (OSTI)

    Lyaruu, D.M.; Tros, G.H.; Bronckers, A.L.; Woeltgens, J.H. (ACTA, Amsterdam (Netherland))

    1990-06-01

    Micro-PIXE (proton-induced X-ray emission) analysis was performed on unfixed and anhydrously prepared sections from developing enamel and dentin from hamsters injected with a single dose of 20 mg NaF/kg body weight. Fluoride, apart from inducing the formation of the characteristic paired response in the enamel (i.e., a hyper- followed by a hypomineralized band in the secretory enamel), also induces the formation of sub-ameloblastic cystic lesions under the transitional and early secretory enamel accompanied by relatively intense hypermineralization of the underlying cystic enamel surface. These cystic lesions, however, were only found to be associated with certain isolated populations of these cells. In addition, these lesions were restricted to the smooth surfaces of the tooth germ only. Cystic lesions such as those seen under the transitional and early secretory ameloblasts were not observed under the fully secretory or maturation stage ameloblasts. Why fluoride induces the formation of cystic lesions in some ameloblast populations while other cells in the same stage of development apparently remain unaffected, is a matter which needs further investigation.

  6. Dessicant materials screening for backfill in a salt repository

    SciTech Connect (OSTI)

    Simpson, D.R.

    1980-10-01

    Maintaining an anhydrous environment around nuclear waste stored in a salt repository is a concern which can be alleviated by using a desiccant material for backfilling. Such a desiccant should desiccate a brine yet be non deliquescent, the hydrated product should have moderate thermal stability, and the desiccant should have a high capacity and be readily available. From a literature search MgO and CaO were identified for detailed study. These oxides, and an intimate mixture of the two obtained by calcining dolomite, were used in experiments to further determine their suitability. They proved to be excellent desiccants with a high water capacity. The hydrates of both have moderate thermal stability and a high water content. Both MgO and CaO react in an alkaline chloride brine forming oxychloride compounds with different waters of crystallization. Some of these compounds are the Sorel Cements. CaO hydrates to Ca(OH)/sub 2/ which carbonates with CO/sub 2/ in air to form CaCO/sub 3/ and release the hydrated water. Thus the intimate mixture of CaO and MgO from calcined dolomite may serve as a desiccant and remove CO/sub 2/ from the repository atmosphere.

  7. Timescales and settings for alteration of chondritic meteorites

    SciTech Connect (OSTI)

    Krot, A N; Hutcheon, I D; Brearley, A J; Pravdivtseva, O V; Petaev, M I; Hohenberg, C M

    2005-11-16

    Most groups of chondritic meteorites experienced diverse styles of secondary alteration to various degrees that resulted in formation of hydrous and anhydrous minerals (e.g., phyllosilicates, magnetite, carbonates, ferrous olivine, hedenbergite, wollastonite, grossular, andradite, nepheline, sodalite, Fe,Ni-carbides, pentlandite, pyrrhotite, Ni-rich metal). Mineralogical, petrographic, and isotopic observations suggest that the alteration occurred in the presence of aqueous solutions under variable conditions (temperature, water/rock ratio, redox conditions, and fluid compositions) in an asteroidal setting, and, in many cases, was multistage. Although some alteration predated agglomeration of the final chondrite asteroidal bodies (i.e. was pre-accretionary), it seems highly unlikely that the alteration occurred in the solar nebula, nor in planetesimals of earlier generations. Short-lived isotope chronologies ({sup 26}Al-{sup 26}Mg, {sup 53}Mn-{sup 53}Cr, {sup 129}I-{sup 129}Xe) of the secondary minerals indicate that the alteration started within 1-2 Ma after formation of the Ca,Al-rich inclusions and lasted up to 15 Ma. These observations suggest that chondrite parent bodies must have accreted within the first 1-2 Ma after collapse of the protosolar molecular cloud and provide strong evidence for an early onset of aqueous activity on these bodies.

  8. Liquefied Gaseous Fuels Safety and Environmental Control Assessment Program: second status report

    SciTech Connect (OSTI)

    Not Available

    1980-10-01

    The Assistant Secretary for Environment has responsibility for identifying, characterizing, and ameliorating the environmental, health, and safety issues and public concerns associated with commercial operation of specific energy systems. The need for developing a safety and environmental control assessment for liquefied gaseous fuels was identified by the Environmental and Safety Engineering Division as a result of discussions with various governmental, industry, and academic persons having expertise with respect to the particular materials involved: liquefied natural gas, liquefied petroleum gas, hydrogen, and anhydrous ammonia. This document is arranged in three volumes and reports on progress in the Liquefied Gaseous Fuels (LGF) Safety and Environmental Control Assessment Program made in Fiscal Year (FY)-1979 and early FY-1980. Volume 1 (Executive Summary) describes the background, purpose and organization of the LGF Program and contains summaries of the 25 reports presented in Volumes 2 and 3. Annotated bibliographies on Liquefied Natural Gas (LNG) Safety and Environmental Control Research and on Fire Safety and Hazards of Liquefied Petroleum Gas (LPG) are included in Volume 1.

  9. Structural and magnetic properties of triethylene glycol stabilized Zn{sub x}Co{sub 1?x}Fe{sub 2}O{sub 4} nanoparticles

    SciTech Connect (OSTI)

    Sozeri, H.; Durmus, Z.; Baykal, A.

    2012-09-15

    Highlights: ? Monodispersed TREG stabilized Zn{sub x}Co{sub 1?x}Fe{sub 2}O{sub 4} NP's were prepared via hydrothermal method. ? Zn{sub x0.6}Co{sub 0.4}Fe{sub 2}O{sub 4} NP's has superparamagnetic behavior like absence of saturation at high fields. ? The lattice parameter (a{sub o}) increases linearly with the addition of Zn and follows Vegard's law. -- Abstract: Zn substituted cobalt ferrite nanoparticles having formula of Zn{sub x}Co{sub 1?x}Fe{sub 2}O{sub 4} (x = 0.0–1.0) were prepared by hydrothermal technique. In this process, triethylene glycol was used as a solvent and surfactant, anhydrous sodium hydroxide was used as an alkalinity additive. Investigation of the structural, morphological and thermal properties were carried out using X-ray diffraction (XRD), infrared spectroscopy (FT-IR), transmission electron spectroscopy (TEM) and thermal analysis (TGA) respectively. The X-ray diffraction study reveals that the lattice constant of cobalt ferrite increases with the increase of Zn content. Magnetization measurements showed that as zinc concentration increases saturation magnetization initially stays constant and then decreases monotically. Samples having high zinc concentration (x ? 0.6) have superparamagnetic behavior like absence of saturation at high fields, low saturation magnetization values and immeasurable coercivity. These features were explained by surface spin disorder and canted spins.

  10. Process for removing thorium and recovering vanadium from titanium chlorinator waste

    DOE Patents [OSTI]

    Olsen, Richard S. (Albany, OR); Banks, John T. (Corvallis, OR)

    1996-01-01

    A process for removal of thorium from titanium chlorinator waste comprising: (a) leaching an anhydrous titanium chlorinator waste in water or dilute hydrochloric acid solution and filtering to separate insoluble minerals and coke fractions from soluble metal chlorides; (b) beneficiating the insoluble fractions from step (a) on shaking tables to recover recyclable or otherwise useful TiO.sub.2 minerals and coke; and (c) treating filtrate from step (a) with reagents to precipitate and remove thorium by filtration along with acid metals of Ti, Zr, Nb, and Ta by the addition of the filtrate (a), a base and a precipitant to a boiling slurry of reaction products (d); treating filtrate from step (c) with reagents to precipitate and recover an iron vanadate product by the addition of the filtrate (c), a base and an oxidizing agent to a boiling slurry of reaction products; and (e) treating filtrate from step (d) to remove any remaining cations except Na by addition of Na.sub.2 CO.sub.3 and boiling.

  11. A gas-loading system for LANL two-stage gas guns

    SciTech Connect (OSTI)

    Gibson, Lloyd Lee; Bartram, Brian Douglas; Dattelbaum, Dana Mcgraw; Lang, John Michael; Morris, John Scott

    2015-09-01

    A novel gas loading system was designed for the specific application of remotely loading high purity gases into targets for gas-gun driven plate impact experiments. The high purity gases are loaded into well-defined target configurations to obtain Hugoniot states in the gas phase at greater than ambient pressures.The small volume of the gas samples is challenging, as slight changing in the ambient temperature result in measurable pressure changes. Therefore, the ability to load a gas gun target and continually monitor the sample pressure prior to firing provides the most stable and reliable target fielding approach. We present the design and evaluation of a gas loading system built for the LANL 50 mm bore two-stage light gas gun. Targets for the gun are made of 6061 Al or OFHC Cu, and assembled to form a gas containment cell with a volume of approximately 1.38 cc. The compatibility of materials was a major consideration in the design of the system, particularly for its use with corrosive gases. Piping and valves are stainless steel with wetted seals made from Kalrez® and Teflon®. Preliminary testing was completed to ensure proper flow rate and that the proper safety controls were in place. The system has been used to successfully load Ar, Kr, Xe, and anhydrous ammonia with purities of up to 99.999 percent. The design of the system and example data from the plate impact experiments will be shown.

  12. Breckinridge Project, initial effort. Report VII, Volume I. Introduction and background. [Storage losses of 28 products and by-products

    SciTech Connect (OSTI)

    none,

    1982-01-01

    The proposed plant site consists of 1594 acres along the Ohio River in Breckinridge County, Kentucky. An option to purchase the site has been secured on behalf of the Breckinridge Project by the Commonwealth of Kentucky Department of Energy. Figure 1 is an area map locating the site with respect to area cities and towns. The nearest communities to the site are the hamlet of Stephensport, Kentucky, about 3-1/2 miles northeast and Cloverport, Kentucky, which is 6 miles to the southwest. The nearest major cities are Owensboro, Kentucky, 45 road miles to the west and Louisville, Kentucky, 65 miles to the northeast. The Breckinridge facility will convert about 23,000 TPD of run-of-mine (ROM) coal into a nominal 50,000 BPD of hydrocarbon liquids including a significant quantity of transportation fuels. Major products refined for marketing include pipeline gas, propane, butane, 105 RONC gasoline reformate, middle distillate and heavy distillate. By-products include sulfur, anhydrous ammonia, and commercial-grade phenol. Care is being taken to minimize the impact of the facility operations on the environment. Water and wastewater treatment systems have been designed to achieve zero discharge. Waste solids will be disposed of in a carefully designed and well-monitored landfill operation. Also, special design features have been included to minimize air emissions.

  13. Rising from the ashes: Coal ash in recycling and construction

    SciTech Connect (OSTI)

    Naquin, D.

    1998-02-01

    Beneficial Ash Management (BAM, Clearfield, Pa.) has won an environmental award for its use of ash and other waste to fight acid mine drainage. The company`s workers take various waste materials, mainly fly ash from coal-burning plants, to make a cement-like material or grouting, says Ernest Roselli, BAM president. The grouting covers the soil, which helps prevent water from contacting materials. This, in turn, helps control chemical reactions, reducing or eliminating formation of acid mine drainage. The company is restoring the 1,400-acre Bark Camp coal mine site near Penfield in Clearfield County, Pa. Under a no-cost contract with the state of Pennsylvania, BAM is using boiler slag, causticizing byproducts (lime) and nonreclaimable clarifier sludge from International Paper Co. (Erie, Pa.). The mine reclamation techniques developed and monitored at the site include using man-made wetlands to treat acid mine drainage and testing anhydrous ammonia as a similar treatment agent. BAM researches and tests fly ash mixed with lime-based activators as fill material for land reclamation, and develops and uses artificial soil material from paper mill and tannery biosolids.

  14. Enhancing Magnesite Formation at Low Temperature and High CO2 Pressure: The Impact of Seed Crystals and Minor Components

    SciTech Connect (OSTI)

    Felmy, Andrew R.; Qafoku, Odeta; Arey, Bruce W.; Kovarik, Libor; Liu, Jia; Perea, Daniel E.; Ilton, Eugene S.

    2015-02-24

    The formation of magnesite was followed in aqueous solution containing initially added Mg(OH)2 equilibrated with supercritical carbon dioxide (90 atm pressure, 50°C) in the presence of introduced magnesite particles and minor components, Co(II). As expected, the introduction of magnesite particles accelerated the formation of magnesite from solution. However, the formation rate of magnesite was even greater when small concentrations of Co(II) were introduced, indicating that the increased rate of magnesite formation in the presence of Co(II) was not solely due to the addition of a growth promoting surface. Detailed analysis of the magnesite particles by scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), and atom probe tomography (APT) revealed that the originally added Co(II) was concentrated in the center but also present throughout the growing magnesite particles. Addition of the Co(II) in different chemical forms (i.e. as solid phase CoCO3 or Co(OH)2) could alter the growth rate of magnesite depending upon the addition of bicarbonate to the starting solution. Geochemical modeling calculations indicate that this difference is related to the thermodynamic stability of these different phases in the initial solutions. More broadly, these results indicate that the presence of even small concentrations of foreign ions that form carbonate compounds with a similar structure as magnesite can be incorporated into the magnesite lattice, accelerating the formation of anhydrous carbonates in natural environments.

  15. Breckinridge Project, initial effort

    SciTech Connect (OSTI)

    none,

    1982-01-01

    Report IV, Volume 5, provides descriptions, data, and drawings pertaining to Cryogenic Hydrogen Purification (Plant 8), Sour Water Treating (Plant 9), and the Sulfur Plant (Plant 10). Cryogenic Hydrogen Purification (Plant 8) purifies the purge gas stream from the Gas Plant (Plant 7, described in Report IV, Volume 4) to a 93% purity hydrogen product. Sour Water Treating (Plant 9) removes free ammonia and acid gases from sour water and separates them to recover a high quality anhydrous ammonia product. The Sulfur Plant (Plant 10) recovers, as a saleable liquid product, approximately 95% of the sulfur in feed streams from the Gas Plant (Plant 7, described in Report IV, Volume 4), Sour Water Treating (Plant 9), Gasification and Purification (Plant 12, described in Report IV, Volume 6), and Stack Gas Scrubbing (Plant 35, described in Report V, Volume 3). The following information is included for each of the three plants described in this volume: a description of the plant's process design, including the utility balance, catalysts and chemicals usage, and a process flow diagram; an equipment list, including item numbers and descriptions; data sheets and sketches for major plant components; and pertinent engineering drawings. An appendix contains: an overall site plan showing the locations of all plants; and the symbols and legend for the piping and instrument diagrams included in this volume.

  16. Preparation and application of zirconium sulfate supported on SAPO-34 molecular sieve as solid acid catalyst for esterification

    SciTech Connect (OSTI)

    Xu, Dongyan Ma, Hong; Cheng, Fei

    2014-05-01

    Graphical abstract: - Highlights: • SAPO-34 supported zirconium sulfate solid acid catalyst was prepared. • Esterification of acetic acid with ethanol can be catalyzed by ZS/SAPO-34. • The hydration of ZS is vital to the acidic property and catalytic performance. • The ZS/SAPO-34 catalyst treated at 200 °C shows good reusability. - Abstract: Zirconium sulfate (ZS) was supported on SAPO-34 molecular sieve by using an incipient wetness impregnation method with zirconium sulfate as the precursor. The as-prepared catalysts were used as solid acid catalyst for esterification reaction of acetic acid with ethanol. The influence of calcination temperature on the acidic property, catalytic activity, and reusability of ZS/SAPO-34 catalysts were mainly investigated. FT-IR, SEM, EDS and TG analysis have been carried out to demonstrate the characteristics of ZS/SAPO-34 catalysts. It was found that the 30 wt%ZS/SAPO-34 catalysts display the property of superacid irrespective of calcination temperature. The ZS/SAPO-34 catalyst treated at 200 °C can enhance the interaction between the supported ZS and SAPO-34 and keep the catalyst remaining substantially active after several reaction cycles. However, further increasing calcination temperature will cause the transfer of ZS from hydrate to anhydrous phase, and thus the decrease of activity.

  17. Summary of the cost analysis report for the long-term management of depleted uranium hexafluoride

    SciTech Connect (OSTI)

    Dubrin, J.W.; Rahm-Crites, L.

    1997-09-01

    This report is a summary of the Cost Analysis Report which provides comparative cost data for the management strategy alternatives. The PEIS and the Cost Analysis Report will help DOE select a management strategy. The Record of Decision, expected in 1998, will complete the first part of the Depleted Uranium Hexafluoride Management Program. The second part of the Program will look at specific sites and technologies for carrying out the selected strategy. The Cost Analysis Report estimates the primary capital and operating costs for the different alternatives. It reflects the costs of technology development construction of facilities, operation, and decontamination and decommissioning. It also includes potential revenues from the sale of by-products such as anhydrous hydrogen fluoride (ABF). These estimates are based on early designs. They are intended to help in comparing alternatives, rather than to indicate absolute costs for project budgets or bidding purposes. More detailed estimates and specific funding sources will be considered in part two of the Depleted Uranium Hexafluoride Management Program.

  18. Method for directly recovering fluorine from gas streams

    DOE Patents [OSTI]

    Orlett, Michael J. (Portsmouth, OH); Saraceno, Anthony J. (Waverly, OH)

    1981-01-01

    This invention is a process for the direct recovery of gaseous fluorine from waste-gas streams or the like. The process comprises passing the gas stream through a bed of anhydrous K.sub.3 NiF.sub.6 pellets to fluorinate the same to K.sub.3 NiF.sub.7 and subsequently desorbing the fluorine by heating the K.sub.3 NiF.sub.7 pellets to a temperature re-converting them to K.sub.3 NiF.sub.6. The efficiency of the fluorine-absorption step is maximized by operating in a selected and conveniently low temperature. The desorbed fluorine is highly pure and is at a pressure of several atmospheres. Preferably, the K.sub.3 NiF.sub.6 pellets are prepared by a method including the steps of forming agglomerates of hydrated K.sub.3 NiF.sub.5, sintering the agglomerates to form K.sub.3 NiF.sub.5 pellets of enhanced reactivity with respect to fluorine, and fluorinating the sintered pellets to K.sub.3 NiF.sub.6.

  19. Reduction experiment of FeO-bearing amorphous silicate: application to origin of metallic iron in GEMS

    SciTech Connect (OSTI)

    Matsuno, Junya; Tsuchiyama, Akira; Miyake, Akira [Department of Geology and Mineralogy, Graduate School of Science, Kyoto University, Kitashirakawa-Oiwake, Sakyo-ku, Kyoto 606-8502 (Japan); Noguchi, Ryo [Department of Earth and Space Science, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043 (Japan); Ichikawa, Satoshi, E-mail: jmatsuno@kueps.kyoto-u.ac.jp [Institute for Nano-science Design, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531 (Japan)

    2014-09-10

    Glass with embedded metal and sulfides (GEMS) are amorphous silicates included in anhydrous interplanetary dust particles (IDPs) and can provide information about material evolution in our early solar system. Several formation processes for GEMS have been proposed so far, but these theories are still being debated. To investigate a possible GEMS origin by reduction of interstellar silicates, we synthesized amorphous silicates with a mean GEMS composition and performed heating experiments in a reducing atmosphere. FeO-bearing amorphous silicates were heated at 923 K and 973 K for 3 hr, and at 1023 K for 1-48 hr at ambient pressure in a reducing atmosphere. Fe grains formed at the interface between the silicate and the reducing gas through a reduction. In contrast, TEM observations of natural GEMS show that metallic grains are uniformly embedded in amorphous silicates. Therefore, the present study suggests that metallic inclusions in GEMS could not form as reduction products and that other formation process such as condensation or irradiation are more likely.

  20. Recent developments in proton exchange membranes for fuel cells

    SciTech Connect (OSTI)

    Devanathan, Ramaswami

    2008-07-23

    Proton exchange membranes (PEMs) that operate at temperatures above 120 °C are needed to avoid catalyst poisoning, speed up electrochemical reactions, simplify the design and reduce the cost of fuel cells. This review summarizes developments in PEMs over the last five years. In order to design new membranes for elevated temperature operation, one must understand the chemistry, morphology and dynamics of protons and small molecules in existing membranes. The integration of experiments with modeling and simulation can shed light on the hierarchical structure of the membrane and dynamical processes associated with molecular transport. Based on such a fundamental understanding, membranes can be modified by controlling the polymer chemistry and architecture or adding inorganic fillers that can retain water under low relative humidity conditions. In addition, the development of anhydrous membranes based on phosphoric acid doped polymers, ionic liquid-infused polymer gels and solid acids can enable fuel cell operation above 150 °C. Considerable work remains to be done to identify proton transport mechanisms in novel membranes and evaluate membrane durability under real world operating conditions.

  1. Perform Tests and Document Results and Analysis of Oxide Layer Effects and Comparisons

    SciTech Connect (OSTI)

    Collins, E. D. [ORNL; DelCul, G. D. [ORNL; Spencer, B. B. [ORNL; Hunt, R. D. [ORNL; Ausmus, C. [ORNL

    2014-08-30

    During the initial feasibility test using actual used nuclear fuel (UNF) cladding in FY 2012, an incubation period of 30–45 minutes was observed in the initial dry chlorination. The cladding hull used in the test had been previously oxidized in a dry air oxidation pretreatment prior to removal of the fuel. The cause of this incubation period was attributed to the resistance to chlorination of an oxide layer imparted by the dry oxidation pretreatment on the cladding. Subsequently in 2013, researchers at the Korea Atomic Energy Institute (KAERI) reported on their chlorination study [R1] on ~9-gram samples of unirradiated ZirloTM cladding tubes that had been previously oxidized in air at 500oC for various time periods to impart oxide layers of varying thickness. In early 2014, discussions with Indefinite Delivery, Indefinite Quantity (IDIQ) contracted technical consultants from Westinghouse described their previous development (and patents) [R2] on methods of chemical washing to remove some or all of the hydrous oxide layer imparted on UNF cladding during irradiation in light water reactors (LWRs) . Thus, the Oak Ridge National Laboratory (ORNL) study, described herein, was planned to extend the KAERI study on the effects of anhydrous oxide layers, but on larger ~100-gram samples of unirradiated zirconium alloy cladding tubes, and to investigate the effects of various methods of chemical pretreatment prior to chlorination with 100% chlorine on the average reaction rates and Cl2 usage efficiencies.

  2. Kinetics of Water Adsorption-Driven Structural Transformation of ZnS Nanoparticles

    SciTech Connect (OSTI)

    Goodell, Carmen M.; Gilbert, Benjamin; Weigand, Steven J.; Banfield, Jillian F. (UCB); (NWU); (LBNL)

    2008-10-16

    Nanoparticles of certain materials can respond structurally to changes in their surface environments. We have previously shown that methanol, water adsorption, and aggregation?disaggregation can change the structure of 3 nm diameter zinc sulfide (ZnS). However, in prior observations of water-driven structure change, aggregation also may have taken place. Therefore, we investigated the structural consequences of water adsorption alone on anhydrous nanoparticles that were dried to minimize changes in aggregation. Using simultaneously collected small- and wide-angle X-ray scattering (SAXS and WAXS) data, we showed that water vapor adsorption alone drives a structural transformation in ZnS nanoparticles in the temperature range of 22--40 C. The transition kinetics is strongly temperature dependent, with an activation energy of 55 {+-} 10 kJ/mol, consistent with atom displacement rather than bond breaking. At 50 C, aggregate restructuring occurred, increasing the transition kinetics beyond the rate expected for water adsorption alone. The observation of isosbestic points in the WAXS data suggests that the particles do not transform continuously between the initial and the final structural state but rather undergo an abrupt change from a less ordered to a more ordered state.

  3. [NH{sub 3}(CH{sub 2}){sub 2}NH{sub 3}][Co(SO{sub 4}){sub 2}(H{sub 2}O){sub 4}]: Chemical preparation, crystal structure, thermal decomposition and magnetic properties

    SciTech Connect (OSTI)

    Rekik, Walid; Naili, Houcine; Mhiri, Tahar [Laboratoire de l'Etat Solide, Departement de Chimie, Faculte des Sciences de Sfax, BP 802, 3018 Sfax (Tunisia); Bataille, Thierry [Sciences Chimiques de Rennes (CNRS, UMR 6226), Groupe Materiaux Inorganiques: Chimie Douce et Reactivite, Universite de Rennes I, Avenue du General Leclerc, 35042 Rennes Cedex (France)], E-mail: thierry.bataille@univ-rennes1.fr

    2008-10-02

    Cobalt ethylenediammonium bis(sulfate) tetrahydrate, [NH{sub 3}(CH{sub 2}){sub 2}NH{sub 3}][Co(SO{sub 4}){sub 2}(H{sub 2}O){sub 4}], has been synthesised by slow evaporation at room temperature. It crystallises in the triclinic system, space group P1-bar, with the unit cell parameters: a = 6.8033(2), b 7.0705(2), c = 7.2192(3) A, {alpha} = 74.909(2){sup o}, {beta} = 72.291(2){sup o}, {gamma} = 79.167(2){sup o}, Z = 1 and V = 317.16(2) A{sup 3}. The Co(II) atom is octahedrally coordinated by four water molecules and two sulfate tetrahedra leading to trimeric units [Co(SO{sub 4}){sub 2}(H{sub 2}O){sub 4}]. These units are linked to each other and to the ethylenediammonium cations through OW-H...O and N-H...O hydrogen bonds, respectively. The zero-dimensional structure is described as an alternation between cationic and anionic layers along the crystallographic b-axis. The dehydration of the precursor proceeds through three stages leading to crystalline intermediary hydrate phases and an anhydrous compound. The magnetic measurements show that the title compound is predominantly paramagnetic with weak antiferromagnetic interactions.

  4. Multilayer heterostructures and their manufacture

    DOE Patents [OSTI]

    Hammond, Scott R; Reese, Matthew; Rupert, Benjamin; Miedaner, Alexander; Curtis, Clavin; Olson, Dana; Ginley, David S

    2015-11-04

    A method of synthesizing multilayer heterostructures including an inorganic oxide layer residing on a solid substrate is described. Exemplary embodiments include producing an inorganic oxide layer on a solid substrate by a liquid coating process under relatively mild conditions. The relatively mild conditions include temperatures below 225.degree. C. and pressures above 9.4 mb. In an exemplary embodiment, a solution of diethyl aluminum ethoxide in anhydrous diglyme is applied to a flexible solid substrate by slot-die coating at ambient atmospheric pressure, and the diglyme removed by evaporation. An AlO.sub.x layer is formed by subjecting material remaining on the solid substrate to a relatively mild oven temperature of approximately 150.degree. C. The resulting AlO.sub.x layer exhibits relatively high light transmittance and relatively low vapor transmission rates for water. An exemplary embodiment of a flexible solid substrate is polyethylene napthalate (PEN). The PEN is not substantially adversely affected by exposure to 150.degree. C

  5. 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).

  6. Chemical analysis and biological testing of materials from the EDS coal liquefaction process: a status report

    SciTech Connect (OSTI)

    Later, D.W.; Pelroy, R.A.; Wilson, B.W.

    1984-05-01

    Representative process materials were obtained from the EDS pilot plant for chemical and biological analyses. These materials were characterized for biological activity and chemical composition using a microbial mutagenicity assay and chromatographic and mass spectrometric analytical techniques. The two highest boiling distillation cuts, as well as process solvent (PS) obtained from the bottoms recycle mode operation, were tested for initiation of mouse skin tumorigenicity. All three materials were active; the crude 800/sup 0 +/F cut was substantially more potent than the crude bottoms recycle PS or 750 to 800/sup 0/F distillate cut. Results from chemical analyses showed the EDS materials, in general, to be more highly alkylated and have higher hydroaromatic content than analogous SRC II process materials (no in-line process hydrogenation) used for comparison. In the microbial mutagenicity assays the N-PAC fractions showed greater activity than did the aliphatic hydrocarbon, hydroxy-PAH, or PAH fractions, although mutagenicity was detected in certain PAH fractions by a modified version of the standard microbial mutagenicity assay. Mutagenic activities for the EDS materials were lower, overall, than those for the corresponding materials from the SRC II process. The EDS materials produced under different operational modes had distinguishable differences in both their chemical constituency and biological activity. The primary differences between the EDS materials studied here and their SRC II counterparts used for comparison are most likely attributable to the incorporation of catalytic hydrogenation in the EDS process. 27 references, 28 figures, 27 tables.

  7. Complexation of Am(III) and Nd(III) by 1,10-Phenanthroline-2,9-Dicarboxylic Acid

    SciTech Connect (OSTI)

    Ogden, Mark D.; Sinkov, Sergey I.; Nilsson, Mikael; Lumetta, Gregg J.; Hancock, Robert D.; Nash, Ken L.

    2013-01-01

    The complexant 1,10-phenanthroline-2,9-dicarboxylic acid (PDA) is a planar tetradentate ligand that is more preorganized for metal complexation than its unconstrained analogue ethylendiiminodiacetic acid (EDDA). Furthermore, the backbone nitrogen atoms of PDA are aromatic, hence are softer than the aliphatic amines of EDDA. It has been hypothesized that PDA will selectively bond to trivalent actinides over lanthanides. In this report, the results of spectrophotometric studies of the complexation of Nd(III) and Am(III) by PDA are reported. Because the complexes are moderately stable, it was necessary to conduct these titrations using competitive equilibrium methods, competitive cation omplexing between PDA and diethylenetriaminepentaacetic acid, and competition between ligand protonation and complex formation. Stability constants and ligand protonation constants were determined at 0.1 mol/L ionic strength and at 0.5 mol/L ionic strength nitrate media at 21 ± 1 C. The stability constants are lower than those predicted from first principles and speciation calculations indicate that Am(III) selectivity over Nd(III) is less than that exhibited by 1,10-phenanthroline.

  8. Identification of sulfur heterocycles in coal liquids and shale oils. Technical progress report, August 1, 1980-May 1, 1981

    SciTech Connect (OSTI)

    Lee, M. L.; Castle, R. N.

    1981-01-01

    The sulfur heterocycle separation scheme which was described in the last progress report was evaluated for quantitative recovery of individual components. The results indicate that recoveries can range from 10% to approx. 30% depending on the structure of the compound. During this period, 23 unsubstituted sulfur-containing heterocyclic ring systems were synthesized in oder to confirm GC/MS identifications and for biological testing. The four possible 3-ring heterocycles and the thirteen possible 4-ring heterocycles were tested for mutagenic activity in the histidine reversion (Ames assay) system. One of the 3-ring isomers, naphtho(1,2-b)-thiophene, and six of the 4-ring isomers induced mutations in Salmonella test strains. One of these compounds, phenanthro(3,4-b)thiophene, displayed approximately the same mutagenic activity as benzo(a)pyrene. A two-step adsorption chromatographic procedure was developed in order to fractionate synthetic fuels into various chemical-type classes for studying the relative concentrations and mutagenic activities of the various types. An SRC-II Heavy Distillate was fractionated into aliphatic hydrocarbons, polycyclic aromatic hydrocarbons, sulfur heterocycles, indoles and carbazoles, azaarenes, and amino polycyclic aromatic hydrocarbons. It was found that the amino-PAH fraction contained most of the mutagenic activity. A survey was made for compounds containing both nitrogen and sulfur heteroatoms in their structures. A number of these compounds were detected by GC using nitrogen- and sulfur-selective detection.

  9. Analysis of volatile contaminants in US Navy fleet soda lime. Technical report, August 1992-May 1995

    SciTech Connect (OSTI)

    Lillo, R.S.; Ruby, R.; Gummin, D.D.; Porter, W.R.; Caldwell, J.M.

    1995-06-01

    Contamination was suspected of U.S. Navy Fleet soda lime (High Performance Sodasorb(R)) when an ammonia-like odor was reported during its use in August 1992. This material contained indicator dye and was used for carbon dioxide absorption during diving. This incident had a major impact on the U.S Navy diving program when the Navy temporarily banned use of Sodasorb(R) and authorized Sofnolime(R) as an interim replacement. The Naval Medical Research Institute was immediately assigned to investigate. Testing involved sampling from the headspace (gas space) inside closed buckets and from an apparatus simulating conditions during operational diving. Volatile organic compounds were analyzed by gas chromatography and mass spectrometry; ammonia and amines were measured by infrared spectroscopy. Significant amounts of ammonia (up to 30 ppm), ethyl and diethyl amines (up to several ppm), and various aliphatic hydrocarbons (up to 60 ppm) were detected during testing of both Sodasorb(R) and Sofnolime(R). Contaminants were slowly removed by gas flow and did not return. The source(s) of the ammonia and amines are unknown, although they may result from the breakdown of the indicator dye. Hydrocarbon contamination appeared to result from the materials of which the bucket is constructed. Based on these findings, the U.S. Navy is expected to phase in non-indicating soda lime that will be required to meet defined contaminant limits.

  10. CHARACTERIZATION AND EVALUATION OF CAUSTIC WASH TANK AND SOLVENT HOLD TANK SAMPLES FROM MCU FROM AUGUST TO SEPTEMBER 2011

    SciTech Connect (OSTI)

    Fondeur, F.; Fink, S.

    2012-08-01

    During processing of Salt Batches 3 and 4 in the Modular Caustic-Side Solvent Extraction Unit (MCU), the decontamination efficiency for cesium declined from historical values and from expectations based on laboratory testing. This report documents efforts to analyze samples of solvent and process solutions from MCU in an attempt to understand the cause of the reduced performance and to recommend mitigations. CWT Solutions from MCU from the time period of variable decontamination factor (DF) performance which covers from April 2011 to September 2011 (during processing of Salt Batch 4) were examined for impurities using chromatography and spectroscopy. The results indicate that impurities were found to be of two types: aromatic containing impurities most likely from Modifier degradation and aliphatic type impurities most likely from Isopar{reg_sign} L and tri-n-octylamine (TOA) degradation. Caustic washing the Solvent Hold Tank (SHT) solution with 1M NaOH improved its extraction ability as determined from {sup 22}Na uptake tests. Evidence from this work showed that pH variance in the aqueous solutions within the range of 1M nitric acid to 1.91M NaOH that contacted the solvent samples does not influence the analytical determination of the TOA concentration by GC-MS.

  11. Biofiltration control of VOC and air toxic emissions: n-Butane and benzene

    SciTech Connect (OSTI)

    Allen, E.R.

    1996-12-31

    n-Butane and benzene vapors are routinely observed in urban atmospheres. Their presence in urban airsheds is of concern because of their ozone production potential as volatile organic compounds (VOCs) and/or potential toxicity. Also, these saturated hydrocarbons are representative of airborne aliphatic and aromatic compounds. Separate laboratory studies have been conducted on the biological elimination of n-butane (n-C{sub 4}H{sub 10}) and benzene (C{sub 6}H{sub 6}) from airstreams using treated compost biofilters. The removal efficiencies were found to exceed 90% for a conditioned biofilter medium and pollutant low concentrations (< 25 ppm) and zeroth order kinetics at higher concentrations (> 100 ppm), whereas benzene vapor elimination followed zeroth order kinetics at concentrations up to 200 ppm. The maximum n-butane and benzene elimination capacities observed for the compost biofilters and conditions employed were 25 and 70 g pollutant m{sup -3} h{sup -1}, respectively. 13 refs., 6 figs., 2 tabs.

  12. Non-Ideal Behavior in Solvent Extraction

    SciTech Connect (OSTI)

    Peter Zalupski

    2011-09-01

    This report presents a summary of the work performed to meet FCR&D level 3 milestone M31SW050801, 'Complete the year-end report summarizing FY11 experimental and modeling activities.' This work was carried out under the auspices of the Non-Ideality in Solvent Extraction Systems FCR&D work package. The report summarizes our initial considerations of potential influences that non-ideal chemistry may impose on computational prediction of outcomes in solvent extraction systems. The report is packaged into three separate test cases where a robustness of the prediction by SXFIT program is under scrutiny. The computational exercises presented here emphasize the importance of accurate representation of both an aqueous and organic mixtures when modeling liquid-liquid distribution systems. Case No.1 demonstrates that non-ideal behavior of HDEHP in aliphatic diluents, such as n-dodecane, interferes with the computation. Cases No.2 and No.3 focus on the chemical complexity of aqueous electrolyte mixtures. Both exercises stress the need for an improved thermodynamic model of an aqueous environment present in the europium distribution experiments. Our efforts for year 2 of this project will focus on the improvements of aqueous and non-aqueous solution models using fundamental physical properties of mixtures acquired experimentally in our laboratories.

  13. Linkages and aromatic clusters in a bituminous coal: Final report, September 1, 1985--September 30, 1988

    SciTech Connect (OSTI)

    Chung, K.E.

    1988-10-01

    The distribution and arrangement of aromatic clusters, oxygen functional groups, and linkages in an Illinois No. 6 bituminous coal were determined by controlled solubilization of the coal, followed by solvent fractionation of the soluble product and detailed analyses of the product fractions. The solubilization was carried out in reactions with NaOH/ethanol/H/sub 2/O at temperatures of 260/degree/, 300/degree/ and 320/degree/C. Elemental balance and spectroscopic data revealed that the oxygen functional groups of the coal were attacked selectively in the solubilization process, resulting in an orderly definable diminution of the complex coal structure. Also aliphatic linkages present in selected solubilized product fractions were subjected to a transalkylation reaction. A molecular structural model specific to the Illinois coal was constructed, and the hydroliquefaction behavior of the coal was evaluated in terms of potential product distribution and hydrogen consumption. The structural characteristics are compared with those of a Wyoming subbituminous coal in our previous study. 9 refs., 16 figs., 11 tabs.

  14. Molecular and crystal structures of p-heptyloxyphenyl p-hexyloxybenzoate and p-butyloxyphenyl p-heptyloxybenzoate: Mesophase design

    SciTech Connect (OSTI)

    Kuz'mina, L. G. Gunina, M. A.; Churakov, A. V.; Pestov, S. M.

    2013-03-15

    Two aromatic esters with the formulas C{sub 6}H{sub 13}-O-C{sub 6}H{sub 4}-C(O)O-C{sub 6}H{sub 4}-O-C{sub 7}H{sub 15} (1) and C{sub 7}H{sub 15}-O-C{sub 6}H{sub 4}-C(O)O-C{sub 6}H{sub 4}-O-C{sub 4}H{sub 9} (2) belonging to nematic liquid-crystal compounds were studied by X-ray diffraction. Compound 1 crystallizes in two modifications: monoclinic (1-m) and triclinic (1-tr). The crystal packing of 1 and 2 is built from alternating loosely packed aliphatic regions and closely packed aromatic regions. In crystal structures 1-m and 2, the aromatic regions are linked into chains by hydrogen bonds with the participation of the carbonyl oxygen atom of the ester group and the C-H fragment of the benzene ring, but these hydrogen bonds in 1-m are much weaker than in 2. In 1-m there are {pi}-stacking interactions between the molecules, resulting in the formation of centrosymmetric dimers with an interplanar distance of 3.45 A. In 1-tr, the aromatic fragments form a herringbone packing motif favorable for a two-dimensional network of directional C-H...{pi}-system interactions.

  15. Spectropolarimetry of the 3.4 micron Feature in the Diffuse ISM toward the Galactic Center Quintuplet Cluster

    E-Print Network [OSTI]

    J. E. Chiar; A. J. Adamson; D. C. B. Whittet; A. Chrysostomou; J. H. Hough; T. H. Kerr; R. E. Mason; P. F. Poche; G. Wright

    2006-07-12

    Aliphatic hydrocarbons exhibit an absorption feature at 3.4 micron observed toward sources that sample diffuse regions of the interstellar medium. The absorbers responsible for this feature are assumed to reside in some component of interstellar dust, but the physical nature of the particles (size, shape, structure, etc.) is uncertain. Observations of interstellar polarization provide discrimination. Since the grains that carry the silicate absorption feature are known to be aligned, polarization across the 3.4 micron hydrocarbon feature can be used to test the silicate core-organic refractory mantle grain theory. Although the 3.4 micron feature has been observed to be devoid of polarization for one line of sight toward the Galactic center, a corresponding silicate polarization measurement for the same line of sight was not available. Here, we present spectropolarimetric observations toward GCS 3-II and GCS 3-IV toward the Galactic center, where the 9.7 micron silicate polarization has been previously observed. We show that polarization is not detected across the 3.4 micron feature to a limit of 0.06 +/- 0.13% (GCS 3-II) and 0.15 +/- 0.31% (GCS 3-IV), well below the lowest available prediction of polarization on the basis of the core-mantle model. We conclude that the hydrocarbons in the diffuse ISM do not reside on the same grains as the silicates and likely form a separate population of small grains.

  16. Interfacial activity of phosphonated-polyethylene glycol functionalized cerium oxide nanoparticles

    E-Print Network [OSTI]

    L. Qi; J. Fresnais; P. Muller; O. Theodoly; J. -F. Berret; J. -P. Chapel

    2013-05-04

    In a recent publication, we have highlighted the potential of phosphonic acid terminated PEG oligomers to functionalize strong UV absorption cerium oxide nanoparticles[1], which yield suspensions that are stable in aqueous or organic solvents and are redispersible in different solvent after freeze-drying. In the present work, we highlight the interfacial activity of the functional ceria nanoparticles and their potential to modify hydrophobic surfaces. We first investigated Phosphonated-PEG amphiphilic oligomers behavior as strong surface active species forming irreversibly adsorbed layers. We then show that the oligomers interfacial properties translate to the functional nanoparticles. In particular, the addition of a small fraction of phosphonated-PEG oligomers with an extra C16 aliphatic chain (stickers) into the formulation enabled the tuning of i) the nanoparticles adsorption at the air/water, polystyrene/water, oil/water interfaces and ii) the particle/particle interaction in aqueous solutions. We also found that dense and closely packed two dimensional monolayers of nanoceria can be formed by spontaneous adsorption or surface compression using a Langmuir trough. A hexagonal organization controlled by reversible and repulsive repulsion has been characterized by GISAXS. Mono- or multilayers can also be stably formed or transferred on solid surfaces. Our results are key features in the field of polymer surface modification, solid stabilized emulsions (Pickering) or supracolloidal assemblies.

  17. Inhalation developmental toxicology studies: Teratology study of acetone in mice and rats: Final report

    SciTech Connect (OSTI)

    Mast, T.J.; Evanoff, J.J.; Rommereim, R.L.; Stoney, K.H.; Weigel, R.J.; Westerberg, R.B.

    1988-11-01

    Acetone, an aliphatic ketone, is a ubiquitous industrial solvent and chemical intermediate; consequently, the opportunity for human exposure is high. The potential for acetone to cause developmental toxicity was assessed in Sprague-Dawley rats exposed to 0, 440, 2200, or 11000 ppm, and in Swiss (CD-1) mice exposed to 0, 440, 2200, and 6600 ppm acetone vapors, 6 h/day, 7 days/week. Each of the four treatment groups consisted of 10 virgin females (for comparison), and approx.32 positively mated rats or mice. Positively mated mice were exposed on days 6-17 of gestation (dg), and rats on 6-19 dg. The day of plug or sperm detection was designated as 0 dg. Body weights were obtained throughout the study period, and uterine and fetal body weights were obtained at sacrifice (rats, 20 dg; mice, 18 dg). Implants were enumerated and their status recorded. Live fetuses were sexed and examined for gross, visceral, skeletal, and soft-tissue craniofacial defects. 46 refs., 6 figs., 27 tabs.

  18. Complexation of N4-Tetradentate Ligands with Nd(III) and Am(III)

    SciTech Connect (OSTI)

    Ogden, Mark D.; Sinkov, Sergey I.; Meier, G. Patrick; Lumetta, Gregg J.; Nash, Kenneth L.

    2012-12-06

    To improve understanding of aza-complexants in trivalent actinide–lanthanide separations, a series of tetradentate N-donor ligands have been synthesized and their complexation of americium(III) and neodymium(III) investigated by UV–visible spectrophotometry in methanolic solutions. The six pyridine/alkyl amine/imine ligands are N,N0-bis(2-methylpyridyl)-1,2-diaminoethane, N,N0-bis(2-methylpyridyl)-1,3-diaminopropane, trans-N,N-bis(2-pyridylmethyl)-1,2-diaminocyclohexane (BPMDAC), N,N’-bis(2-pyridylmethyl)piperazine, N,N’-bis-[pyridin-2-ylmethylene]ethane-1,2-diamine, and trans-N,Nbis-([pyridin-2-ylmethylene]-cyclohexane-1,2-diamine. Each ligand has two pyridine groups and two aliphatic amine/imine N-donor atoms arranged with different degrees of preorganization and structural backbone rigidity. Conditional stability constants for the complexes of Am(III) and Nd(III) by these ligands establish the selectivity patterns. The overall selectivity of Am(III) over Nd(III) is similar to that reported for the terdentate bis(dialkyltriazinyl)pyridine molecules. The cyclohexane amine derivative (BPMDAC) is the strongest complexant and shows the highest selectivity for Am(III) over Nd(III) while the imines appear to prefer a bridging arrangement between two cations. These results suggest that this series of ligands could be employed to develop an enhanced actinide(III)– lanthanide(III) separation system.

  19. TALSPEAK CURVE: AN ILLUSTRATION OF A SEE-SAW EFFECT IN SEPARATIONS

    SciTech Connect (OSTI)

    Peter Zalupski; Leigh Martin

    2010-11-01

    A superbly balanced thermodynamic struggle for metal ion coordination by aqueous aminopolycarboxylate reagent, DTPA, and non-aqueous organophosphorous phase transfer reagent, HDEHP, affords the separation of trivalent actinides from trivalent lanthanides under the umbrella of the Talspeak liquid-liquid distribution process. This thermodynamic relationship has been linked to an analogous “see-saw” behavior, where the balance is distorted when either of the key complexing players is subject to adverse conditions that interfere with their optimal operation. The thermodynamic balance is tipped in favour of HDEHP whenever increased acidity of the aqueous solution out-competes the metal ion complexation by aqueous complexing agent. Also enhanced steric crowding may switch-off efficient coordination of the metal ion. When HDEHP is depolymerised due to the presence of aliphatic alcohol in the organic phase its phase transferring power is diminished. Such complication paves way for DTPA to establish its dominance on the distribution of trivalent metal ions in the 2-phase system. The illustrated sensitivity of the thermodynamic balance between DTPA and HDEHP in Talspeak-type systems may serve as informative tool when studying less-predictable realms of Talspeak chemistry.

  20. Process for hydrocracking carbonaceous material in liquid carrier

    DOE Patents [OSTI]

    Duncan, Dennis A. (Downers Grove, IL)

    1980-01-01

    Solid carbonaceous material is hydrocracked to provide aliphatic and aromatic hydrocarbons for use as gaseous and liquid fuels or chemical feed stock. Particulate carbonaceous material such as coal in slurry with recycled product oil is preheated in liquid state to a temperature of 600.degree.-1200.degree. F. in the presence of hydrogen gas. The product oil acts as a sorbing agent for the agglomerating bitumins to minimize caking within the process. In the hydrocracking reactor, the slurry of oil and carbonaceous particles is heated within a tubular passageway to vaporize the oil and form a gas-solid mixture which is further heated to a hydropyrolysis temperature in excess of 1200.degree. F. The gas-solid mixture is quenched by contact with additional oil to condense normally liquid hydrocarbons for separation from the gases. A fraction of the hydrocarbon liquid product is recycled for quenching and slurrying with the carbonaceous feed. Hydrogen is recovered from the gas for recycle and additional hydrogen is produced by gasification of residual char.

  1. Chemical Characterization and Water Content Determination of Bio-Oils Obtained from Various Biomass Species using 31P NMR Spectroscopy

    SciTech Connect (OSTI)

    David, K.; Ben, H.; Muzzy, J.; Feik, C.; Iisa, K.; Ragauskas, A.

    2012-03-01

    Pyrolysis is a promising approach to utilize biomass for biofuels. One of the key challenges for this conversion is how to analyze complicated components in the pyrolysis oils. Water contents of pyrolysis oils are normally analyzed by Karl Fischer titration. The use of 2-chloro-4,4,5,5,-tetramethyl-1,3,2-dioxaphospholane followed by {sup 31}P NMR analysis has been used to quantitatively analyze the structure of hydroxyl groups in lignin and whole biomass. Results: {sup 31}P NMR analysis of pyrolysis oils is a novel technique to simultaneously characterize components and analyze water contents in pyrolysis oils produced from various biomasses. The water contents of various pyrolysis oils range from 16 to 40 wt%. The pyrolysis oils obtained from Loblolly pine had higher guaiacyl content, while that from oak had a higher syringyl content. Conclusion: The comparison with Karl Fischer titration shows that {sup 31}P NMR could also reliably be used to measure the water content of pyrolysis oils. Simultaneously with analysis of water content, quantitative characterization of hydroxyl groups, including aliphatic, C-5 substituted/syringyl, guaiacyl, p-hydroxyl phenyl and carboxylic hydroxyl groups, could also be provided by {sup 31}P NMR analysis.

  2. Molecular Characterization of Organosulfates in Organic Aerosols from Shanghai and Los Angeles Urban Areas by Nanospray-Desorption Electrospray Ionization High-Resolution Mass Spectrometry

    SciTech Connect (OSTI)

    Tao, Shikang; Lu, Xiaohui; Levac, Nicole A.; Bateman, Adam P.; Nguyen, Tran B.; Bones, David L.; Nizkorodov, Sergey; Laskin, Julia; Laskin, Alexander; Yang, Xin

    2014-08-21

    Aerosol samples collected in the urban areas of Shanghai and Los Angeles were analyzed by nanospray-desorption electrospray ionization mass spectrometry (nano-DESI MS) with high mass resolution (m/?m=100,000). Solvent mixtures of acetonitrile/water and acetonitrile/toluene were used to extract and ionize polar and non-polar compounds, respectively. A diverse mixture of oxygenated hydrocarbons, organosulfates, organonitrates, and organics with reduced nitrogen were detected in the Los Angeles sample. Majority of the organics in the Shanghai sample were detected as organosulfates. The dominant organosulfates in the two samples have distinctly different molecular characteristics. Specifically, organosulfates in the Los Angeles sample were dominated by isoprene- or monoterpene-derived products, while organosulfates of yet unknown origin in the Shanghai sample had distinctive characteristics of long aliphatic carbon chains and low degree of oxidation and unsaturation. The use of acetonitrile/toluene solvent facilitated identification of this type of organosulfates, suggesting they could be missed in previous studies relying on sample extraction using common polar solvents. The high molecular weight and low degree of unsaturation and oxidization of the organosulfates detected in the Shanghai sample suggest that they may act as surfactants, and plausibly affect the surface tension and hygroscopicity of the atmospheric particulate matter. We propose that direct esterification of carbonyl or hydroxyl compounds by sulfates or sulfuric acid in liquid phase could be the formation pathway of these special organosulfates. Long-chain alkanes from vehicle emissions might be their precursors.

  3. Synthesis and characterization of interfacially polymerized films of tetraphenylporphyrin derivatives

    SciTech Connect (OSTI)

    Li, W.; Wamser, C.C.

    1995-10-01

    Thin films of polymeric porphyrins have been made by interfacial polymerization of derivatives of tetraphenyl porphyrins, in particular by condensation of a dichloromethane solution of the acid chloride derivative (TCCPP) with a buffered aqueous solution of either the amine derivative (TAPP) or the phenol derivative (THPP). Spectroscopic and other studies are consistent with cross-linked polyamide or polyester network structures. The polyamide and polyester films display a novel asymmetry of functional groups on opposite sides of the film; excess amine (or hydroxyl) groups appear on one side of the film and excess carboxyl groups on the other. Film thickness can be correlated with the intensity of the UV-visible absorption spectrum, x (in nm) = 120 A{sub max} (at the Soret peak), with typical thicknesses in the range 10-500 nm, easily controlled by reaction time and conditions. Significantly thicker films (up to several {mu}m) can be prepared using an aliphatic diamine orpolyamine as the comonomer with TCCPP. Addition of 2, 6-lutidine to the organic phase substantially increases the rate of polymerization, which is especially useful for TAPP reactions. In addition, control experiments show that TCCPP with lutidine in CH{sub 2}Cl{sub 2} reacts at the interface with an aqueous pH 3 buffer, giving a very thin, easily hydrolyzed film, apparently due to anhydride linkages formed by condensation reactions with partially hydrolyzed TCCPP. 56 refs., 11 figs., 4 tabs.

  4. The Molecular Structure of a Phosphatidylserine Bilayer Determined by Scattering and Molecular Dynamics Simulations

    SciTech Connect (OSTI)

    Pan, Jianjun [University of South Florida, Tampa (USF)] [University of South Florida, Tampa (USF); Cheng, Xiaolin [ORNL] [ORNL; Monticelli, Luca [Institut National de la Santé et de la Recherche Médicale (INSERM) and INTS, France] [Institut National de la Santé et de la Recherche Médicale (INSERM) and INTS, France; Heberle, Frederick A [ORNL] [ORNL; Kucerka, Norbert [Atomic Energy of Canada Limited (AECL), Canadian Neutron Beam Centre (CNBC) and Comenius University,] [Atomic Energy of Canada Limited (AECL), Canadian Neutron Beam Centre (CNBC) and Comenius University,; Tieleman, D. Peter [University of Calgary, ALberta, Canada] [University of Calgary, ALberta, Canada; Katsaras, John [ORNL] [ORNL

    2014-01-01

    Phosphatidylserine (PS) lipids play essential roles in biological processes, including enzyme activation and apoptosis. We report on the molecular structure and atomic scale interactions of a fluid bilayer composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylserine (POPS). A scattering density profile model, aided by molecular dynamics (MD) simulations, was developed to jointly refine different contrast small-angle neutron and X-ray scattering data, which yielded a lipid area of 62.7 A2 at 25 C. MD simulations with POPS lipid area constrained at different values were also performed using all-atom and aliphatic united-atom models. The optimal simulated bilayer was obtained using a model-free comparison approach. Examination of the simulated bilayer, which agrees best with the experimental scattering data, reveals a preferential interaction between Na+ ions and the terminal serine and phosphate moieties. Long-range inter-lipid interactions were identified, primarily between the positively charged ammonium, and the negatively charged carboxylic and phosphate oxygens. The area compressibility modulus KA of the POPS bilayer was derived by quantifying lipid area as a function of surface tension from area-constrained MD simulations. It was found that POPS bilayers possess a much larger KA than that of neutral phosphatidylcholine lipid bilayers. We propose that the unique molecular features of POPS bilayers may play an important role in certain physiological functions.

  5. BIOTIGER, A NATURAL MICROBIAL PRODUCT FOR ENHANCED HYDROCARBON RECOVERY FROM OIL SANDS.

    SciTech Connect (OSTI)

    Brigmon, R; Topher Berry, T; Whitney Jones, W; Charles Milliken, C

    2008-05-27

    BioTiger{trademark} is a unique microbial consortia that resulted from over 8 years of extensive microbiology screening and characterization of samples collected from a century-old Polish waste lagoon. BioTiger{trademark} shows rapid and complete degradation of aliphatic and aromatic hydrocarbons, produces novel surfactants, is tolerant of both chemical and metal toxicity and shows good activity at temperature and pH extremes. Although originally developed and used by the U.S. Department of Energy for bioremediation of oil-contaminated soils, recent efforts have proven that BioTiger{trademark} can also be used to increase hydrocarbon recovery from oil sands. This enhanced ex situ oil recovery process utilizes BioTiger{trademark} to optimize bitumen separation. A floatation test protocol with oil sands from Ft. McMurray, Canada was used for the BioTiger{trademark} evaluation. A comparison of hot water extraction/floatation test of the oil sands performed with BioTiger{trademark} demonstrated a 50% improvement in separation as measured by gravimetric analysis in 4 h and a five-fold increase at 25 hr. Since BioTiger{trademark} performs well at high temperatures and process engineering can enhance and sustain metabolic activity, it can be applied to enhance recovery of hydrocarbons from oil sands or other complex recalcitrant matrices.

  6. Application of /sup 13/C, /sup 2/H, /sup 1/H NMR and GPC to the study of structural evolution of subbituminous coal in tetralin at 427/sup 0/C

    SciTech Connect (OSTI)

    Franz, J.A.; Camaioni, D.M.; Skiens, W.E.

    1981-01-01

    The products from the treatment of subbituminous coal at 427/sup 0/C in tetralin or 1,1-d/sub 2/-tetralin for times varying from 2.5 to 120 min were examined by /sup 13/C, /sup 2/H, and /sup 1/H Fourier transform nuclear magnetic resonance (FTNMR), gel permeation chromatography (GPC), and elemental and hydroxyl group analysis. NMR and elemental analysis revealed that the flash hydroliquefaction products contained about 10% of aromatic ether carbon and phenolic carbon in roughly equal amounts, but no aliphatic ether, carboxyl, or quinine carbon. The combined asphaltenes and preasphaltenes from a 10-min reaction exhibited 68% carbon, 30% hydrogen, and 30% deuterium aromaticity, with aromaticity slowly increasing at longer reaction times. GPC analysis revealed that approximately 10% of the products were greater than 1500 mol wt, with number-average molecular weights reduced from 840 to 500 over a 2-hr reaction. Deuterium NMR revealed that the majority of deuterium transferred to coal appeared at benzylic carbons.

  7. Yellow phosphorus process to convert toxic chemicals to non-toxic products

    DOE Patents [OSTI]

    Chang, Shih-Ger (El Cerrito, CA)

    1994-01-01

    The present invention relates to a process for generating reactive species for destroying toxic chemicals. This process first contacts air or oxygen with aqueous emulsions of molten yellow phosphorus. This contact results in rapid production of abundant reactive species such as O, O.sub.3, PO, PO.sub.2, etc. A gaseous or liquid aqueous solution organic or inorganic chemicals is next contacted by these reactive species to reduce the concentration of toxic chemical and result in a non-toxic product. The final oxidation product of yellow phosphorus is phosphoric acid of a quality which can be recovered for commercial use. A process is developed such that the byproduct, phosphoric acid, is obtained without contamination of toxic species in liquids treated. A gas stream containing ozone without contamination of phosphorus containing species is also obtained in a simple and cost-effective manner. This process is demonstrated to be effective for destroying many types of toxic organic, or inorganic, compounds, including polychlorinated biphenyls (PCB), aromatic chlorides, amines, alcohols, acids, nitro aromatics, aliphatic chlorides, polynuclear aromatic compounds (PAH), dyes, pesticides, sulfides, hydroxyamines, ureas, dithionates and the like.

  8. Ras-GTP dimers activate the mitogen-activated protein kinase (MAPK) pathway

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

    Nan, Xiaolin; Tamgüney, Tanja M.; Collisson, Eric A.; Lin, Li -Jung; Pitt, Cameron; Galeas, Jacqueline; Lewis, Sophia; Gray, Joe W.; McCormick, Frank; Chu, Steven

    2015-06-16

    Rat sarcoma (Ras) GTPases regulate cell proliferation and survival through effector pathways including Raf-MAPK, and are the most frequently mutated genes in human cancer. Although it is well established that Ras activity requires binding to both GTP and the membrane, details of how Ras operates on the cell membrane to activate its effectors remain elusive. Efforts to target mutant Ras in human cancers to therapeutic benefit have also been largely unsuccessful. Here we show that Ras-GTP forms dimers to activate MAPK. We used quantitative photoactivated localization microscopy (PALM) to analyze the nanoscale spatial organization of PAmCherry1-tagged KRas 4B (hereafter referredmore »to KRas) on the cell membrane under various signaling conditions. We found that at endogenous expression levels KRas forms dimers, and KRasG12D, a mutant that constitutively binds GTP, activates MAPK. Overexpression of KRas leads to formation of higher order Ras nanoclusters. Conversely, at lower expression levels, KRasG12D is monomeric and activates MAPK only when artificially dimerized. Moreover, dimerization and signaling of KRas are both dependent on an intact CAAX (C, cysteine; A, aliphatic; X, any amino acid) motif that is also known to mediate membrane localization. These results reveal a new, dimerization-dependent signaling mechanism of Ras, and suggest Ras dimers as a potential therapeutic target in mutant Ras-driven tumors.« less

  9. Effect of Ligands on Characteristics of (CdSe)13 Quantum Dot

    SciTech Connect (OSTI)

    Gao, Yang; Zhou, Bo; Kang, Seung-gu; Xin, Minsi; Yang, Ping; Dai, Xing; Wang, Zhigang; Zhou, Ruhong

    2014-01-01

    The widespread applications of quantum dots (QDs) have spurred an increasing interest in the study of their coating ligands, which can not only protect the electronic structures of the central QDs, but also control their permeability through biological membranes with both size and shape. In this work, we have used density functional theory (DFT) to investigate the electronic structures of (CdSe)13 passivated by OPMe2(CH2)nMe ligands with different lengths and various numbers of branches (Me=methyl group, n = 0, 1-3). Our results show that the absorption peak in the ultraviolet-visible (UV-vis) spectra displays a clear blue-shift, on the scale of ~100 nm, upon the binding of ligands. Once the total number of ligands bound with (CdSe)13 reached a saturated number (9 or 10), no more blue-shift occurred in the absorption peak in the UV-vis spectra. On the other hand, the aliphatic chain length of ligands has a negligible effect on the optical properties of the QD core. Analyses of the bonding characteristics confirm that optical transitions are dominantly governed by the central QD core rather than the organic passivation. Interestingly, the density of states (DOS) share similar characteristics as vibrational spectra, even though there is no coordination vibration mode between the ligands and the central QD. These findings might provide insights on the material design for the passivation of quantum dots for biomedical applications.

  10. Complex Organic and Inorganic Compounds in Shells of Lithium-rich K Giant Stars

    E-Print Network [OSTI]

    de la Reza, Ramiro; Oliveira, Isa; Rengaswamy, Sridharan

    2015-01-01

    Hydrocarbon organic material, as found in the interstellar medium, exists in complex mixtures of aromatic and aliphatic forms. It is considered to be originated from carbon enriched giant stars during their final stages of evolution, when very strong mass loss occurs in a few thousand years on their way to become planetary nebulae. We show here that the same organic compounds appear to be formed in previous stages of the evolution of giant stars. More specifically, during the first ascending giant branch K-type stars. According to our model this happens only when these stars are being abruptly enriched with lithium together with the formation of a circumstellar shell with a strong mass loss during just a few thousand years. This sudden mass loss is, on an average, a thousand times larger than that of normal Li-poor K giant stars. This shell would later be detached, specially when the star stops its Li enrichment and a rapid photospheric Li depletion occurs. In order to gain extra carbon-based material to form...

  11. Peptide affinity labels for thrombin and other trypsin-like proteases

    DOE Patents [OSTI]

    Shaw, E.N.; Kettner, C.A.

    1982-03-09

    A peptide affinity label is disclosed of the formula (I): as given in the patent wherein X is a radical capable of acting as a leaving group in a nucleophilic substitution reaction; A is an aromatic amino acid residue; B is H, or a C[sub 1]--C[sub 4] alkyl group, or aryl; Y is selected from the group consisting of hydrogen, aroyl, C[sub 1]--C[sub 6] acyl, and Q--(A)--[sub n], wherein Q = hydrogen, aroyl, or C[sub 1]--C[sub 6] acyl, n = 1--10, A is an amino acid residue selected from the aliphatic, hydroxy-containing, carboxylic acid group, and amide-thereofcontaining, aromatic, sulfur-containing and imino-containing amino acids; and wherein J is selected from the group consisting of --CH[sub 2]--, --CH[sub 2]--CH[sub 2]--, --CH[sub 2]--CH[sub 2]--CH[sub 2]--, --CH[double bond]CH-- and --CH(OH)--CH[sub 2]. The affinity label is useful for irreversibly inactivating thrombin and trypsin-like enzymes and may be used as a potential anticlotting agent. 2 figs.

  12. Time-resolved fluorometric determination of terbium in aqueous solution

    SciTech Connect (OSTI)

    Hemmilae, I.

    1985-07-01

    The fluorescent properties of water-soluble binary and ternary complexes of terbium(III) were studied and their applications in time-resolved fluorometric analysis were tested. Solutions composed of different ..beta..-diketones, tri-n-octylphosphine oxide as the synergistic agent, and Triton X-100 as the detergent were optimized to maximize fluorescence emission in Tb measurement. The results were then compared with seven published methods which included the use of the following respective solutions, ethylenediamine-N,N'-bis((o-hydroxy-phenyl)acetic acid), dipicolinic acid, iminodiacetic acid with Tiron, EDTA with Tiron, EDTA with 2,3-dihydroxynaphthalene, EDTA with sulfosalicylic acid, and EDTA with salicylate. Fluorinated aliphatic ..beta..-diketones showed the most promising properties in acidic solution. They were especially suitable for use in time-resolved fluorometric analyses where Tb was used as the label after being conjugated to the analyte via bifunctional complexones. An acidic pH is required for Tb release before conversion into a fluorescent chelate. The applicability of the developed measurement solutions to the measurement of Eu was also tested. 22 references, 3 figures, 7 tables.

  13. Single gene insertion drives bioalcohol production by a thermophilic archaeon

    SciTech Connect (OSTI)

    Basen, M; Schut, GJ; Nguyen, DM; Lipscomb, GL; Benn, RA; Prybol, CJ; Vaccaro, BJ; Poole, FL; Kelly, RM; Adams, MWW

    2014-12-09

    Bioethanol production is achieved by only two metabolic pathways and only at moderate temperatures. Herein a fundamentally different synthetic pathway for bioalcohol production at 70 degrees C was constructed by insertion of the gene for bacterial alcohol dehydrogenase (AdhA) into the archaeon Pyrococcus furiosus. The engineered strain converted glucose to ethanol via acetate and acetaldehyde, catalyzed by the host-encoded aldehyde ferredoxin oxidoreductase (AOR) and heterologously expressed AdhA, in an energy-conserving, redox-balanced pathway. Furthermore, the AOR/AdhA pathway also converted exogenously added aliphatic and aromatic carboxylic acids to the corresponding alcohol using glucose, pyruvate, and/or hydrogen as the source of reductant. By heterologous coexpression of a membrane-bound carbon monoxide dehydrogenase, CO was used as a reductant for converting carboxylic acids to alcohols. Redirecting the fermentative metabolism of P. furiosus through strategic insertion of foreign genes creates unprecedented opportunities for thermophilic bioalcohol production. Moreover, the AOR/AdhA pathway is a potentially game-changing strategy for syngas fermentation, especially in combination with carbon chain elongation pathways.

  14. Superfund Record of Decision (EPA Region 7): Vogel Paint and Wax, Maurice, IA. (First remedial action), September 1989. Final report

    SciTech Connect (OSTI)

    Not Available

    1989-09-20

    The Vogel Paint and Wax (VPW) site is an approximately two-acre disposal area two miles southwest of the town of Maurice, in Sioux County, Iowa. Adjacent land uses are primarily agricultural; however, several private residences are within one-quarter mile of the site. A surficial sand and gravel aquifer underlies the site and supplies nearby private wells and the Southern Sioux County Rural Water System, located a mile and one half southeast of the site. Paint sludge, resins, solvents, and other paint-manufacturing wastes were disposed of at the site between 1971 and 1979. VPW records indicate that approximately 43,000 gallons of aliphatic and aromatic hydrocarbons and 6,000 pounds of metals waste were buried at the site. The primary contaminants of concern affecting the soil and ground water are VOCs including benzene, toluene, and xylenes; and metals including chromium and lead. The selected remedial action for this site includes excavation of contaminated soil and separation of solid and liquid wastes; onsite bioremediation of 3,000 cubic yards of the contaminated soil in a fully contained surface impoundment unit, or onsite thermal treatment if soil contains high metal content; and stabilization of treated soil, if necessary to prevent leaching of metals, followed by disposal in the excavated area.

  15. Experimental and modeling investigation of aromatic and polycyclic aromatic hydrocarbon formation in a premixed ethylene flame

    SciTech Connect (OSTI)

    Castaldi, M.J.; Marinov, N.M.; Melius, C.F.

    1996-02-01

    Experimental and detailed chemical kinetic modeling has been performed to investigate aromatic and polyaromatic hydrocarbon formation pathways in a rich, sooting, ethylene-oxygen-argon premixed flame. An atmospheric pressure, laminar flat flame operated at an equivalence ratio of 2.5 was used to acquire experimental data for model validation. Gas composition analysis was conducted by an on-line gas chromatograph/mass spectrometer (GC/MS) technique. Measurements were made in the flame and post-flame zone for a number of low molecular weight species, aliphatics, aromatics and polycyclic aromatic hydrocarbons (PAHs) ranging from two to five-aromatic fused rings. The modeling results show the key reaction sequences leading to aromatic and polycyclic aromatic hydrocarbon growth involve the combination of resonantly stabilized radicals. In particular, propargyl and 1-methylallenyl combination reactions lead to benzene and methyl substituted benzene formation, while polycyclic aromatics are formed from cyclopentadienyl radicals and fused rings that have a shared C{sub 5} side structure. Naphthalene production through the reaction step of cyclopentadienyl self-combination and phenanthrene formation from indenyl and cyclopentadienyl combination were shown to be important in the flame modeling study. The removal of phenyl by O{sub 2} leading to cyclopentadienyl formation is expected to play a pivotal role in the PAH or soot precursor growth process under fuel-rich oxidation conditions.

  16. Yellow phosphorus process to convert toxic chemicals to non-toxic products

    DOE Patents [OSTI]

    Chang, S.G.

    1994-07-26

    The present invention relates to a process for generating reactive species for destroying toxic chemicals. This process first contacts air or oxygen with aqueous emulsions of molten yellow phosphorus. This contact results in rapid production of abundant reactive species such as O, O[sub 3], PO, PO[sub 2], etc. A gaseous or liquid aqueous solution organic or inorganic chemicals is next contacted by these reactive species to reduce the concentration of toxic chemical and result in a non-toxic product. The final oxidation product of yellow phosphorus is phosphoric acid of a quality which can be recovered for commercial use. A process is developed such that the byproduct, phosphoric acid, is obtained without contamination of toxic species in liquids treated. A gas stream containing ozone without contamination of phosphorus containing species is also obtained in a simple and cost-effective manner. This process is demonstrated to be effective for destroying many types of toxic organic, or inorganic, compounds, including polychlorinated biphenyls (PCB), aromatic chlorides, amines, alcohols, acids, nitro aromatics, aliphatic chlorides, polynuclear aromatic compounds (PAH), dyes, pesticides, sulfides, hydroxyamines, ureas, dithionates and the like. 20 figs.

  17. Absolute hydrogen determination in coal-derived heavy distillate samples

    SciTech Connect (OSTI)

    Kottenstette, R.J.; Schneider, D.A.; Loy, D.A.

    1994-06-01

    Organic elemental hydrogen analysis is routinely performed with an automated analyzer having a high temperature combustion zone that is connected to a detector which measures the response of the product water. With the advent of instrumental electronics, automated microanalysis gradually replaced the gravimetric techniques mainly because of increased analysis speed. Modern automated organic elemental analysis consists of combusting the sample in the presence of a solid oxidant and sweeping the products into a thermal conductivity of infrared detector [4,5]. An alternative technique for the detection of hydrogen is to react the product water with carbonyldiimidazole to generate a quantitative amount of carbon dioxide which is measured by a coulometric tritration [6]. The development of Proton Nuclear Magnetic Nuclear Resonance Spectroscopy has led to the description and qualitative classification of hydrogen in organic compounds. These techniques have been especially helpful in describing hydrogen as it is classified into aliphatic, aromatic and hydroaromatic groupings [1,2,3]. In addition, low resolution proton {sup 1}H-NMR has been sucessfully used to determine absolute amounts of hydrogen in a variety of petroleum fractions [7,8]. Our technique involves simple integration of high resolution {sup 1}H-NMR spectra with careful attention given to sample preparation and spectral integration.

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

    SciTech Connect (OSTI)

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

    1999-07-15

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

  19. Metal catalyzed synthesis of hyperbranched ethylene and/or .alpha.-olefin polymers

    DOE Patents [OSTI]

    Sen, Ayusman (State College, PA); Kim, Jang Sub (State College, PA); Pawlow, James H. (Gainesville, FL); Murtuza, Shahid (State College, PA); Kacker, Smita (Annandale, NJ); Wojcinski, III, Louis M. (State College, PA)

    2001-01-01

    Oily hyperbranched polymers derived from ethylene, propylene, butene and/or a C.sub.5 -C.sub.24 .alpha.-olefin, and a method for their synthesis, are disclosed. The polymers have non-regular microstructures and are characterized by a ratio ({character pullout})of methyl hydrogens centered around 0.85 ppm on the 1H-NMR spectra of the polymers relative to total aliphatic hydrogens of from about 0.40 to about 0.65 for polymers derived from ethylene or butene, and a ratio ({character pullout})of from greater than 0.50 to about 0.65 for polymers derived from propylene. A method for grafting hyperbranched polymers derived from ethylene, propylene, butene and/or a C.sub.5 -C.sub.24 .alpha.-olefin onto aromatic rings in organic molecules and polymers, and the resulting grafted materials, are also disclosed. The hyperbranched polymers and grafted materials are useful, for example, as lubricants and lubricant additives.

  20. In situ dehydration behavior of zeolite-like pentagonite: A single-crystal X-ray study

    SciTech Connect (OSTI)

    Danisi, Rosa Micaela; Armbruster, Thomas; Lazic, Biljana

    2013-01-15

    The structural modifications upon heating of pentagonite, Ca(VO)(Si{sub 4}O{sub 10}){center_dot}4H{sub 2}O (space group Ccm2{sub 1}, a=10.3708(2), b=14.0643(2), c=8.97810(10) A, V=1309.53(3) A{sup 3}) were investigated by in situ temperature dependent single-crystal X-ray structure refinements. Diffraction data of a sample from Poona district (India) have been measured in steps of 25 up to 250 Degree-Sign C and in steps of 50 Degree-Sign C between 250 and 400 Degree-Sign C. Pentagonite has a porous framework structure made up by layers of silicate tetrahedra connected by V{sup 4+}O{sub 5} square pyramids. Ca and H{sub 2}O molecules are extraframework occupants. Room temperature diffraction data allowed refinement of H positions. The hydrogen-bond system links the extraframework occupants to the silicate layers and also interconnects the H{sub 2}O molecules located inside the channels. Ca is seven-fold coordinated forming four bonds to O of the tetrahedral framework and three bonds to extraframework H{sub 2}O. The H{sub 2}O molecule at O9 showing a high displacement parameter is not bonded to Ca. The dehydration in pentagonite proceeds in three steps. At 100 Degree-Sign C the H{sub 2}O molecule at O8 was released while O9 moved towards Ca. As a consequence the displacement parameter of H{sub 2}O at O9 halved compared to that at room temperature. The unit-cell volume decreased to 1287.33(3) A{sup 3} leading to a formula with 3H{sub 2}O per formula unit (pfu). Ca remained seven-fold coordinated. At 175 Degree-Sign C Ca(VO)(Si{sub 4}O{sub 10}){center_dot}3H{sub 2}O transformed into a new phase with 1H{sub 2}O molecule pfu characterized by doubling of the c axis and the monoclinic space group Pn. Severe bending of specific T--O--T angles led to contraction of the porous three-dimensional framework. In addition, H{sub 2}O at O9 was expelled while H{sub 2}O at O7 approached a position in the center of the channel. The normalized volume decreased to 1069.44(9) A{sup 3}. The Ca coordination reduced from seven- to six-fold. At 225 Degree-Sign C a new anhydrous phase with space group Pna2{sub 1} but without doubling of c had formed. Release of H{sub 2}O at O7 caused additional contraction of T--O--T angles and volume reduction (V=1036.31(9) A{sup 3}). Ca adopted five-fold coordination. During heating excursion up to 400 Degree-Sign C this anhydrous phase remained preserved. Between room temperature and 225 Degree-Sign C the unit-cell volume decreased by 21% due to dehydration. The dehydration steps compare well with the thermo-gravimetric data reported in the literature. - Graphical abstract: Pentagonite structure at room temperature and at 225 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer We investigate the relationship between the removal of H{sub 2}O molecules and structural modifications of the framework of pentagonite. Black-Right-Pointing-Pointer Pentagonite undergoes phase transitions upon heating. Black-Right-Pointing-Pointer We analyze similarities and differences between pentagonite and related structures.

  1. Complexation Studies of Bidentate Heterocyclic N-Donor Ligands with Nd(III) and Am(III)

    SciTech Connect (OSTI)

    Ogden, Mark; Hoch, Courtney L.; Sinkov, Sergey I.; Meier, Patrick; Lumetta, Gregg J.; Nash, Kenneth L.

    2011-11-28

    A new bidentate nitrogen donor complexing agent that combines pyridine and triazole functional groups, 2-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)pyridine (PTMP), has been synthesized. The strength of its complexes with trivalent americium (Am3+) and neodymium (Nd3+) in anhydrous methanol has been evaluated using spectrophotometric techniques. The purpose of this investigation is to assess this ligand (as representative of a class of similarly structured species) as a possible model compound for the challenging separation of trivalent actinides from lanthanides. This separation, important in the development of advanced nuclear fuel cycles, is best achieved through the agency of multidentate chelating agents containing some number of nitrogen or sulfur donor groups. To evaluate the relative strength of the bidentate complexes, the derived constants are compared to those of the same metal ions with 2,2*-bipyridyl (bipy), 1,10-phenanthroline (phen), and 2-pyridin-2-yl-1H-benzimidazole (PBIm). At issue is the relative affinity of the triazole moiety for trivalent f element ions. For all ligands, the derived stability constants are higher for Am3+ than Nd3+. In the case of Am3+ complexes with phen and PBIm, the presence of 1:2 (AmL2) species is indicated. Possible separations are suggested based on the relative stability and stoichiometry of the Am3+ and Nd3+ complexes. It can be noted that the 1,2,3-triazolyl group imparts a potentially useful selectivity for trivalent actinides (An(III)) over trivalent lanthanides (Ln(III)), though the attainment of higher complex stoichiometries in actinide compared with lanthanide complexes may be an important driver for developing successful separations.

  2. Low-(18)O Silicic Magmas: Why Are They So Rare?

    SciTech Connect (OSTI)

    Balsley, S.D.; Gregory, R.T.

    1998-10-15

    LOW-180 silicic magmas are reported from only a small number of localities (e.g., Yellowstone and Iceland), yet petrologic evidence points to upper crustal assimilation coupled with fractional crystallization (AFC) during magma genesis for nearly all silicic magmas. The rarity of 10W-l `O magmas in intracontinental caldera settings is remarkable given the evidence of intense 10W-l*O meteoric hydrothermal alteration in the subvolcanic remnants of larger caldera systems. In the Platoro caldera complex, regional ignimbrites (150-1000 km3) have plagioclase 6180 values of 6.8 + 0.1%., whereas the Middle Tuff, a small-volume (est. 50-100 km3) post-caldera collapse pyroclastic sequence, has plagioclase 8]80 values between 5.5 and 6.8%o. On average, the plagioclase phenocrysts from the Middle Tuff are depleted by only 0.3%0 relative to those in the regional tuffs. At Yellowstone, small-volume post-caldera collapse intracaldera rhyolites are up to 5.5%o depleted relative to the regional ignimbrites. Two important differences between the Middle Tuff and the Yellowstone 10W-180 rhyolites elucidate the problem. Middle Tuff magmas reached water saturation and erupted explosively, whereas most of the 10W-l 80 Yellowstone rhyolites erupted effusively as domes or flows, and are nearly devoid of hydrous phenocrysts. Comparing the two eruptive types indicates that assimilation of 10W-180 material, combined with fractional crystallization, drives silicic melts to water oversaturation. Water saturated magmas either erupt explosively or quench as subsurface porphyrins bejiire the magmatic 180 can be dramatically lowered. Partial melting of low- 180 subvolcanic rocks by near-anhydrous magmas at Yellowstone produced small- volume, 10W-180 magmas directly, thereby circumventing the water saturation barrier encountered through normal AFC processes.

  3. Synthesis metal nanoparticle

    DOE Patents [OSTI]

    Bunge, Scott D.; Boyle, Timothy J.

    2005-08-16

    A method for providing an anhydrous route for the synthesis of amine capped coinage-metal (copper, silver, and gold) nanoparticles (NPs) using the coinage-metal mesityl (mesityl=C.sub.6 H.sub.2 (CH.sub.3).sub.3 -2,4,6) derivatives. In this method, a solution of (Cu(C.sub.6 H.sub.2 (CH.sub.3).sub.3).sub.5, (Ag(C.sub.6 H.sub.2 (CH.sub.3).sub.3).sub.4, or (Au(C.sub.6 H.sub.2 (CH.sub.3).sub.3).sub.5 is dissolved in a coordinating solvent, such as a primary, secondary, or tertiary amine; primary, secondary, or tertiary phosphine, or alkyl thiol, to produce a mesityl precursor solution. This solution is subsequently injected into an organic solvent that is heated to a temperature greater than approximately 100.degree. C. After washing with an organic solvent, such as an alcohol (including methanol, ethanol, propanol, and higher molecular-weight alcohols), oxide free coinage NP are prepared that could be extracted with a solvent, such as an aromatic solvent (including, for example, toluene, benzene, and pyridine) or an alkane (including, for example, pentane, hexane, and heptane). Characterization by UV-Vis spectroscopy and transmission electron microscopy showed that the NPs were approximately 9.2.+-.2.3 nm in size for Cu.degree., (no surface oxide present), approximately 8.5.+-.1.1 nm Ag.degree. spheres, and approximately 8-80 nm for Au.degree..

  4. A combined experimental and computational study of the molecular interactions between anionic ibuprofen and water

    SciTech Connect (OSTI)

    Zapata-Escobar, Andy; Manrique-Moreno, Marcela; Guerra, Doris; Hadad, C. Z.; Restrepo, Albeiro

    2014-05-14

    In this work, we report a detailed study of the microsolvation of anionic ibuprofen, Ibu{sup ?}. Stochastic explorations of the configurational spaces for the interactions of Ibu{sup ?} with up to three water molecules at the DFT level lead to very rich and complex potential energy surfaces. Our results suggest that instead of only one preponderant structure, a collection of isomers with very similar energies would have significant contributions to the properties of the solvated drug. One of these properties is the shift on the vibrational frequencies of the asymmetric stretching band of the carboxylate group in hydrated Ibu{sup ?} with respect to the anhydrous drug, whose experimental values are nicely reproduced using the weighted contribution of the structures. We found at least three types of stabilizing interactions, including conventional CO {sub 2}{sup ?}?H{sub 2}O, H{sub 2}O?H{sub 2}O charge assisted hydrogen bonds (HBs), and less common H{sub 2}O?H–C and H{sub 2}O?? interactions. Biological water molecules, those in direct contact with Ibu{sup ?}, prefer to cluster around the carboxylate oxygen atoms via cyclic or bridged charge assisted hydrogen bonds. Many of those interactions are strongly affected by the formal carboxylate charge, resulting in “enhanced” HBs with increased strengths and degree of covalency. We found striking similarities between this case and the microsolvation of dymethylphosphate, which lead us to hypothesize that since microsolvation of phosphatidylcholine depends mainly on the formal charge of its ionic PO {sub 2}{sup ?} group in the polar head, then microsolvation of anionic ibuprofen and interactions of water molecules with eukaryotic cell membranes are governed by the same types of physical interactions.

  5. Ionic Liquids: Breakthrough Absorption Technology for Post-Combustion CO{sub 2} Capture

    SciTech Connect (OSTI)

    Maginn, Edward

    2012-09-30

    This is the final report for DE-FC26-07NT43091 ā??Ionic Liquids: Breakthrough Absorption Technology for Post-Combustion CO{sub 2} Captureā?¯. A detailed summary is provided of the ionic liquid (IL) discovery process, synthesis and testing results, process / systems modeling, lab-scale operational testing, corrosion testing and commercialization possibilities. The work resulted in the discovery of a new class of ionic liquids (ILs) that efficiently react with CO{sub 2} in a 1:1 stoichiometry with no water present and no increase in viscosity. The enthalpy of reaction was tuned to optimize process economics. The IL was found to have excellent corrosion behavior with and without CO{sub 2} present. In lab-scale tests, the IL was able to effectively remove CO{sub 2} from a simulated flue gas stream, although mass transfer was slower than with aqueous monoethanolamine (MEA) due to higher viscosities. The non-volatile nature of the solvent and its high thermal stability, however, make it an intriguing option. An independent systems analysis indicates that the economics of using the best IL discovered to date (NDIL0157), are at least comparable to ā?? and potentially slightly better than -ā?? the Fluor Econamine FG PlusTM process (DOE Case 12). Further work should be directed at improving mass transfer / lowering viscosity and developing commercial synthesis routes to make these ILs at scale in an inexpensive manner. Demonstration of the process at larger scales is also warranted, as is the exploration of other process configurations that leverage the anhydrous nature of the solvent and its extremely low volatility.

  6. Dynamics of Magnesite Formation at Low-Temperature and High pCO2 in Aqueous Solution

    SciTech Connect (OSTI)

    Qafoku, Odeta; Dixon, David A.; Rosso, Kevin M.; Schaef, Herbert T.; Bowden, Mark E.; Arey, Bruce W.; Felmy, Andrew R.

    2015-09-17

    Like many metal carbonate minerals, despite conditions of supersaturation, precipitation of magnesite from aqueous solution is kinetically hindered at low temperatures, for reasons that remain poorly understood. The present study examines precipitation products from reaction of Mg(OH)2 in aqueous solutions saturated with supercritical CO2 at high pressures (90 atm and 110 atm) and low temperatures (35 °C and 50 °C). Traditional bulk characterization (X-ray diffraction) of the initial solid formed indicated the presence of hydrated magnesium carbonates (hydromagnesite and nesquehonite), thermodynamically metastable phases that were found to slowly react during ageing to the more stable anhydrous form, magnesite, at temperatures as low as 35 °C (135-140 days) and at a faster rate at 50 °C (56 days). Undetected by bulk measurements, detailed examination of the precipitates by scanning electron microscopy (SEM) showed that magnesite is present as a minor component at relatively early reaction times (7 days) at 50 °C. In addition to magnesite dominating the solid phases over time, we find that mangesite nucleation and growth occurs more quickly with increasing partial pressure of CO2, and in electrolyte solutions with high bicarbonate content. Furthermore, formation of magnesite was found to be enhanced in sulfate-rich solutions, compared to chloride-rich solutions. We speculate that much of this behavior is possibly due to sulfate serving as sink of protons generated during carbonation reactions. These results support the importance of integrating magnesite as an equilibrium phase in reactive transport calculations of the effects of carbon dioxide sequestration on subsurface formations at long time scales.

  7. 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.

  8. Growth and properties of Lithium Salicylate single crystals

    SciTech Connect (OSTI)

    Zaitseva, N; Newby, J; Hull, G; Saw, C; Carman, L; Cherepy, N; Payne, S

    2009-02-13

    An attractive feature of {sup 6}Li containing fluorescence materials that determines their potential application in radiation detection is the capture reaction with slow ({approx}< 100 keV) neutrons: {sup 6}Li + n = {sup 4}He + {sup 3}H + 4.8MeV. The use of {sup 6}Li-salicylate (LiSal, LiC{sub 6}H{sub 5}O{sub 3}) for thermal neutron detection was previously studied in liquid and polycrystalline scintillators. The studies showed that both liquid and polycrystalline LiSal scintillators could be utilized in pulse shape discrimination (PSD) techniques that enable separation of neutrons from the background gamma radiation. However, it was found that the efficiency of neutron detection using LiSal in liquid solutions was severely limited by its low solubility in commonly used organic solvents like, for example, toluene or xylene. Better results were obtained with neutron detectors containing the compound in its crystalline form, such as pressed pellets, or microscopic-scale (7-14 micron) crystals dispersed in various media. The expectation drown from these studies was that further improvement of pulse height, PSD, and efficiency characteristics could be reached with larger and more transparent LiSal crystals, growth of which has not been reported so far. In this paper, we present the first results on growth and characterization of relatively large, a cm-scale size, single crystals of LiSal with good optical quality. The crystals were grown both from aqueous and anhydrous (methanol) media, mainly for neutron detection studies. However, the results on growth and structural characterization may be interesting for other fields where LiSal, together with other alkali metal salicylates, is used for biological, medical, and chemical (as catalyst) applications.

  9. Microheterogeneous Thoria-Urania Fuels for Pressurized Water Reactors

    SciTech Connect (OSTI)

    Shwageraus, Eugene; Zhao Xianfeng; Driscoll, Michael J.; Hejzlar, Pavel; Kazimi, Mujid S.; Herring, J. Stephen

    2004-07-15

    A thorium-based fuel cycle for light water reactors will reduce the plutonium generation rate and enhance the proliferation resistance of the spent fuel. However, priming the thorium cycle with {sup 235}U is necessary, and the {sup 235}U fraction in the uranium must be limited to below 20% to minimize proliferation concerns. Thus, a once-through thorium-uranium dioxide (ThO{sub 2}-UO{sub 2}) fuel cycle of no less than 25% uranium becomes necessary for normal pressurized water reactor (PWR) operating cycle lengths. Spatial separation of the uranium and thorium parts of the fuel can improve the achievable burnup of the thorium-uranium fuel designs through more effective breeding of {sup 233}U from the {sup 232}Th. Focus is on microheterogeneous fuel designs for PWRs, where the spatial separation of the uranium and thorium is on the order of a few millimetres to a few centimetres, including duplex pellet, axially microheterogeneous fuel, and a checkerboard of uranium and thorium pins. A special effort was made to understand the underlying reactor physics mechanisms responsible for enhancing the achievable burnup at spatial separation of the two fuels. The neutron spectral shift was identified as the primary reason for the enhancement of burnup capabilities. Mutual resonance shielding of uranium and thorium is also a factor; however, it is small in magnitude. It is shown that the microheterogeneous fuel can achieve higher burnups, by up to 15%, than the reference all-uranium fuel. However, denaturing of the {sup 233}U in the thorium portion of the fuel with small amounts of uranium significantly impairs this enhancement. The denaturing is also necessary to meet conventional PWR thermal limits by improving the power share of the thorium region at the beginning of fuel irradiation. Meeting thermal-hydraulic design requirements by some of the microheterogeneous fuels while still meeting or exceeding the burnup of the all-uranium case is shown to be potentially feasible. However, the large power imbalance between the uranium and thorium regions creates several design challenges, such as higher fission gas release and cladding temperature gradients. A reduction of plutonium generation by a factor of 3 in comparison with all-uranium PWR fuel using the same initial {sup 235}U content was estimated. In contrast to homogeneously mixed U-Th fuel, microheterogeneous fuel has a potential for economic performance comparable to the all-UO{sub 2} fuel provided that the microheterogeneous fuel incremental manufacturing costs are negligibly small.

  10. Gas chromatographic/mass spectrometric determination of aniline in foods oils associated with the Spanish toxic oil syndrome

    SciTech Connect (OSTI)

    Hill, R.H. Jr.; Todd, G.D.; Kilbourne, E.M.; Cline, R.E.; McCraw, J.; Orti, D.L.; Bailey, S.L.; Needham, L.L.

    1987-09-01

    In 1981, a new disease, known today as the toxic oil syndrome (TOS), descended upon the people of Spin. A strong association between TOS and contaminated food oil was established early. Subsequent investigations implicated food oils containing rapeseed oil denatured with aniline. However, little aniline was found in the oils; some other etiologic agent in the oil had apparently produced the illness. Many researchers have investigated these oils, but the specific etiologic agent has not been identified. Significant progress in this research has been hampered by the difficulty in identifying the specific oil samples that produced illness in specific TOS cases. In 1984, the Spanish Government invited the Centers for Disease Control (CDC) to participate in its research efforts to study the TOS problem. One of the authors was detailed to Spain to assist in the study of the illness. Part of their work in this area has been an attempt in their laboratories to classify a group of blind-coded case and control oils according to selected chemical measurements. They report here a newly developed method for determining aniline in these oils and the results of these analyses.

  11. Feasibility of Burning First- and Second-Generation Plutonium in Pebble Bed High-Temperature Reactors

    SciTech Connect (OSTI)

    Haas, J.B.M. de; Kuijper, J.C

    2005-08-15

    The core physics investigations at the Nuclear Research Consultancy Group in the Netherlands, as part of the activities within the HTR-N project of the European Fifth Framework Program, are focused on the incineration of pure (first- and second-generation) Pu fuels in the reference pebble bed high-temperature gas-cooled reactor (HTR) HTR-MODUL with a continuous reload [MEDUL, (MEhrfach DUrchLauf, multipass)] fueling strategy in which the spherical fuel elements, or pebbles, pass through the core a number of times before being permanently discharged. For pebbles fueled with different loadings of plutonium, the feasibility of a sustained fuel cycle under nominal reactor conditions was investigated by means of the reactivity and temperature coefficients of the reactor. The HTR-MODUL was found to be a very effective reactor to reduce the stockpile of first-generation plutonium. It reduces the amount of plutonium to about one-sixth of the original and reduces the risk of proliferation by denaturing the plutonium vector. For second-generation plutonium the incineration is less favorable, as the amount of plutonium is only halved.

  12. Disordered pinning models and copolymers: beyond annealed bounds

    E-Print Network [OSTI]

    Fabio Lucio Toninelli

    2008-08-22

    We consider a general model of a disordered copolymer with adsorption. This includes, as particular cases, a generalization of the copolymer at a selective interface introduced by Garel et al. [Europhys. Lett. 8 (1989) 9--13], pinning and wetting models in various dimensions, and the Poland--Scheraga model of DNA denaturation. We prove a new variational upper bound for the free energy via an estimation of noninteger moments of the partition function. As an application, we show that for strong disorder the quenched critical point differs from the annealed one, for example, if the disorder distribution is Gaussian. In particular, for pinning models with loop exponent $0model, under a (restrictive) condition on the law of the underlying renewal, we show that the critical point coincides with the one predicted via renormalization group arguments in the theoretical physics literature. A stronger result holds for a "reduced wetting model" introduced by Bodineau and Giacomin [J. Statist. Phys. 117 (2004) 801--818]: without restrictions on the law of the underlying renewal, the critical point coincides with the corresponding renormalization group prediction.

  13. Renewal sequences, disordered potentials, and pinning phenomena

    E-Print Network [OSTI]

    Giambattista Giacomin

    2008-07-27

    We give an overview of the state of the art of the analysis of disordered models of pinning on a defect line. This class of models includes a number of well known and much studied systems (like polymer pinning on a defect line, wetting of interfaces on a disordered substrate and the Poland-Scheraga model of DNA denaturation). A remarkable aspect is that, in absence of disorder, all the models in this class are exactly solvable and they display a localization-delocalization transition that one understands in full detail. Moreover the behavior of such systems near criticality is controlled by a parameter and one observes, by tuning the parameter, the full spectrum of critical behaviors, ranging from first order to infinite order transitions. This is therefore an ideal set-up in which to address the question of the effect of disorder on the phase transition,notably on critical properties. We will review recent results that show that the physical prediction that goes under the name of Harris criterion is indeed fully correct for pinning models. Beyond summarizing the results, we will sketch most of the arguments of proof.

  14. Entropic Stabilization of Proteins by TMAO

    E-Print Network [OSTI]

    Cho, Samuel S; Straub, John E; Thirumalai, D

    2011-01-01

    To understand the mechanism of trimethylamine N-oxide (TMAO) induced stabilization of folded protein states, we systematically investigated the action of TMAO on several model dipeptides (Leucine, L2, Serine, S2, Glutamine, Q2, Lysine, K2, and Glycine, G2) in order to elucidate the effect of residue-specific TMAO interactions on small fragments of solvent-exposed conformations of the denatured states of proteins. We find that TMAO preferentially hydrogen bonds with the exposed dipeptide backbone, but generally not with nonpolar or polar side chains. However, interactions with the positively charged Lys are substantially greater than with the backbone. The dipeptide G2, is a useful model of pure amide backbone, interacts with TMAO by forming a hydrogen bond between the amide nitrogen and the oxygen in TMAO. In contrast, TMAO is depleted from the protein backbone in the hexapeptide G6, which shows that the length of the polypeptide chain is relevant in aqueous TMAO solutions. These simulations lead to the hypot...

  15. Sources of Technical Variability in Quantitative LC-MS Proteomics: Human Brain Tissue Sample Analysis.

    SciTech Connect (OSTI)

    Piehowski, Paul D.; Petyuk, Vladislav A.; Orton, Daniel J.; Xie, Fang; Moore, Ronald J.; Ramirez Restrepo, Manuel; Engel, Anzhelika; Lieberman, Andrew P.; Albin, Roger L.; Camp, David G.; Smith, Richard D.; Myers, Amanda J.

    2013-05-03

    To design a robust quantitative proteomics study, an understanding of both the inherent heterogeneity of the biological samples being studied as well as the technical variability of the proteomics methods and platform is needed. Additionally, accurately identifying the technical steps associated with the largest variability would provide valuable information for the improvement and design of future processing pipelines. We present an experimental strategy that allows for a detailed examination of the variability of the quantitative LC-MS proteomics measurements. By replicating analyses at different stages of processing, various technical components can be estimated and their individual contribution to technical variability can be dissected. This design can be easily adapted to other quantitative proteomics pipelines. Herein, we applied this methodology to our label-free workflow for the processing of human brain tissue. For this application, the pipeline was divided into four critical components: Tissue dissection and homogenization (extraction), protein denaturation followed by trypsin digestion and SPE clean-up (digestion), short-term run-to-run instrumental response fluctuation (instrumental variance), and long-term drift of the quantitative response of the LC-MS/MS platform over the 2 week period of continuous analysis (instrumental stability). From this analysis, we found the following contributions to variability: extraction (72%) >> instrumental variance (16%) > instrumental stability (8.4%) > digestion (3.1%). Furthermore, the stability of the platform and its’ suitability for discovery proteomics studies is demonstrated.

  16. Degradative capacities and bioaugmentation potential of an anaerobic benzene-degrading bacterium strain DN11

    SciTech Connect (OSTI)

    Yuki Kasai; Yumiko Kodama; Yoh Takahata; Toshihiro Hoaki; Kazuya Watanabe

    2007-09-15

    Azoarcus sp. strain DN11 is a denitrifying bacterium capable of benzene degradation under anaerobic conditions. The present study evaluated strain DN11 for its application to bioaugmentation of benzene-contaminated underground aquifers. Strain DN11 could grow on benzene, toluene, m-xylene, and benzoate as the sole carbon and energy sources under nitrate-reducing conditions, although o- and p-xylenes were transformed in the presence of toluene. Phenol was not utilized under anaerobic conditions. Kinetic analysis of anaerobic benzene degradation estimated its apparent affinity and inhibition constants to be 0.82 and 11 {mu}M, respectively. Benzene-contaminated groundwater taken from a former coal-distillation plant site in Aichi, Japan was anaerobically incubated in laboratory bottles and supplemented with either inorganic nutrients (nitrogen, phosphorus, and nitrate) alone, or the nutrients plus strain DN11, showing that benzene was significantly degraded only when DN11 was introduced. Denaturing gradient gel electrophoresis of PCR-amplified 16S rRNA gene fragments, and quantitative PCR revealed that DN11 decreased after benzene was degraded. Following the decrease in DN11 16S rRNA gene fragments corresponding to bacteria related to Owenweeksia hongkongensis and Pelotomaculum isophthalicum, appeared as strong bands, suggesting possible metabolic interactions in anaerobic benzene degradation. Results suggest that DN11 is potentially useful for degrading benzene that contaminates underground aquifers at relatively low concentrations. 50 refs., 6 figs., 1 tab.

  17. Identification of repeat sequence heterogeneity at the polymorphic short tandem repeat locus HUMTH01[AATG][sub n] and reassignment of alleles in population analysis by using a locus-specific allelic ladder

    SciTech Connect (OSTI)

    Puers, C. (Institute for Forensic Medicine, Muenster (Germany)); Schumm, J.W. (Promega Corp., Madison, WI (United States)); Hammond, H.A.; Caskey, C.T.; Jin, L.

    1993-10-01

    An allelic ladder containing amplified sequences of seven alleles of the polymorphic human tyrosine hydroxylase locus, HUMTH01, was constructed and employed as a standard marker. Sequence analysis of each ladder component indicates that fragments differ by integral multiples of the AATG core repeat sequence characteristic of this locus. Individual alles are designated [open quotes]5[close quotes] through [open quotes]11,[close quotes] according to the number of complete reiterations of the core repeat contained within them. Comparison of the HUMTH01 allelic ladder with DNA samples amplified at this locus revealed core repeat length heterogeneity (i.e., deletions or insertions shorter than one core repeat) within the human population. In particular, a common allele was identified which migrates more quickly than allele 10, but more slowly than allele 9, on electrophoresis through a denaturing polyacrylamide gel. Sequence analysis of this allele, designated [open quotes]10-1,[close quotes] reveals lack of a single adenine normally present in the seventh copy of the AATG. The allelic ladder was used to reevaluate previously published population data. Results of testing for Hardy-Weinberg equilibrium and population substructure were not altered significantly by these modifications. 29 refs., 1 fig., 3 tabs.

  18. Water at interface with proteins

    E-Print Network [OSTI]

    Giancarlo Franzese; Valentino Bianco; Svilen Iskrov

    2010-12-07

    Water is essential for the activity of proteins. However, the effect of the properties of water on the behavior of proteins is only partially understood. Recently, several experiments have investigated the relation between the dynamics of the hydration water and the dynamics of protein. These works have generated a large amount of data whose interpretation is debated. New experiments measure the dynamics of water at low temperature on the surface of proteins, finding a qualitative change (crossover) that might be related to the slowing down and stop of the protein's activity (protein glass transition), possibly relevant for the safe preservation of organic material at low temperature. To better understand the experimental data several scenarios have been discussed. Here, we review these experiments and discuss their interpretations in relation with the anomalous properties of water. We summarize the results for the thermodynamics and dynamics of supercooled water at an interface. We consider also the effect of water on protein stability, making a step in the direction of understanding, by means of Monte Carlo simulations and theoretical calculations, how the interplay of water cooperativity and hydrogen bonds interfacial strengthening affects the protein cold denaturation.

  19. A zinc complex of heparan sulfate destabilises lysozyme and alters its conformation

    SciTech Connect (OSTI)

    Hughes, Ashley J. [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom) [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom); Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom); Hussain, Rohanah [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom)] [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom); Cosentino, Cesare; Guerrini, Marco [Istituto di Chimica e Biochimica 'G. Ronzoni', Via G. Colombo 81, Milano 20133 (Italy)] [Istituto di Chimica e Biochimica 'G. Ronzoni', Via G. Colombo 81, Milano 20133 (Italy); Siligardi, Giuliano [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom)] [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom); Yates, Edwin A., E-mail: eayates@liv.ac.uk [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom); Rudd, Timothy R., E-mail: trudd@liv.ac.uk [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom); Istituto di Chimica e Biochimica 'G. Ronzoni', Via G. Colombo 81, Milano 20133 (Italy)

    2012-09-07

    Highlights: Black-Right-Pointing-Pointer Zinc-heparan sulfate complex destabilises lysozyme, a model amyloid protein. Black-Right-Pointing-Pointer Addition of zinc, without heparan sulfate, stabilises lysozyme. Black-Right-Pointing-Pointer Heparan sulfate cation complexes provide alternative protein folding routes. -- Abstract: The naturally occurring anionic cell surface polysaccharide heparan sulfate is involved in key biological activities and is implicated in amyloid formation. Following addition of Zn-heparan sulfate, hen lysozyme, a model amyloid forming protein, resembled {beta}-rich amyloid by far UV circular dichroism (increased {beta}-sheet: +25%), with a significantly reduced melting temperature (from 68 to 58 Degree-Sign C) by fluorescence shift assay. Secondary structure stability of the Zn-heparan sulfate complex with lysozyme was also distinct from that with heparan sulfate, under stronger denaturation conditions using synchrotron radiation circular dichroism. Changing the cation associated with heparan sulfate is sufficient to alter the conformation and stability of complexes formed between heparan sulfate and lysozyme, substantially reducing the stability of the protein. Complexes of heparan sulfate and cations, such as Zn, which are abundant in the brain, may provide alternative folding routes for proteins.

  20. The HPr Proteins from the Thermophile Bacillus stearothermophilus Can Form Domain-swapped Dimers

    SciTech Connect (OSTI)

    Sridharan, Sudharsan; Razvi, Abbas; Scholtz, J. Martin; Sacchettini, James C. (TAM)

    2010-07-20

    The study of proteins from extremophilic organisms continues to generate interest in the field of protein folding because paradigms explaining the enhanced stability of these proteins still elude us and such studies have the potential to further our knowledge of the forces stabilizing proteins. We have undertaken such a study with our model protein HPr from a mesophile, Bacillus subtilis, and a thermophile, Bacillus stearothermophilus. We report here the high-resolution structures of the wild-type HPr protein from the thermophile and a variant, F29W. The variant proved to crystallize in two forms: a monomeric form with a structure very similar to the wild-type protein as well as a domain-swapped dimer. Interestingly, the structure of the domain-swapped dimer for HPr is very different from that observed for a homologous protein, Crh, from B. subtilis. The existence of a domain-swapped dimer has implications for amyloid formation and is consistent with recent results showing that the HPr proteins can form amyloid fibrils. We also characterized the conformational stability of the thermophilic HPr proteins using thermal and solvent denaturation methods and have used the high-resolution structures in an attempt to explain the differences in stability between the different HPr proteins. Finally, we present a detailed analysis of the solution properties of the HPr proteins using a variety of biochemical and biophysical methods.

  1. Mechanism and kinetics of peptide partitioning into membranes

    SciTech Connect (OSTI)

    Ulmschneider, Martin [University of Oxford; Killian, J Antoinette [University of Utrecht; Doux, Jacques P. F. [University of Utrecht; Smith, Jeremy C [ORNL; Ulmschneider, Jakob [University of Heidelberg

    2010-02-01

    Partitioning properties of transmembrane (TM) polypeptide segments directly determine membrane protein folding, stability, and function, and their understanding is vital for rational design of membrane active peptides. However, direct determination of water-to-bilayer transfer of TM peptides has proved difficult. Experimentally, sufficiently hydrophobic peptides tend to aggregate, while atomistic computer simulations at physiological temperatures cannot yet reach the long time scales required to capture partitioning. Elevating temperatures to accelerate the dynamics has been avoided, as this was thought to lead to rapid denaturing. However, we show here that model TM peptides (WALP) are exceptionally thermostable. Circular dichroism experiments reveal that the peptides remain inserted into the lipid bilayer and are fully helical, even at 90 C. At these temperatures, sampling is 50 500 times faster, sufficient to directly simulate spontaneous partitioning at atomic resolution. A folded insertion pathway is observed, consistent with three-stage partitioning theory. Elevated temperature simulation ensembles further allow the direct calculation of the insertion kinetics, which is found to be first-order for all systems. Insertion barriers are Hin = 15 kcal/mol for a general hydrophobic peptide and 23 kcal/mol for the tryptophan-flanked WALP peptides. The corresponding insertion times at room temperature range from 8.5 s to 163 ms. High-temperature simulations of experimentally validated thermostable systems suggest a new avenue for systematic exploration of peptide partitioning properties.

  2. Probing the mechanism of rubredoxin thermal unfolding in the absence of salt bridges by temperature jump experiments

    SciTech Connect (OSTI)

    Henriques, Barbara J. [Instituto Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Oeiras (Portugal); Saraiva, Ligia M. [Instituto Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Oeiras (Portugal); Gomes, Claudio M. [Instituto Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Oeiras (Portugal)]. E-mail: gomes@itqb.unl.pt

    2005-08-05

    Rubredoxins are the simplest type of iron-sulphur proteins and in recent years they have been used as model systems in protein folding and stability studies, especially the proteins from thermophilic sources. Here, we report our studies on the rubredoxin from the hyperthermophile Methanococcus jannaschii (T {sub opt} = 85 deg C), which was investigated in respect to its thermal unfolding kinetics by temperature jump experiments. Different spectroscopic probes were used to monitor distinct structural protein features during the thermal transition: the integrity of the iron-sulphur centre was monitored by visible absorption spectroscopy, whereas tertiary structure was followed by intrinsic tryptophan fluorescence and exposure of protein hydrophobic patches was sensed by 1-anilinonaphthalene-8-sulphonate fluorescence. The studies were performed at acidic pH conditions in which any stabilising contributions from salt bridges are annulled due to protonation of protein side chain groups. In these conditions, M. jannaschii rubredoxin assumes a native-like, albeit more flexible and open conformation, as indicated by a red shift in the tryptophan emission maximum and 1-anilinonaphthalene-8-sulphonate binding. Temperature jumps were monitored by the three distinct techniques and showed that the protein undergoes thermal denaturation via a simple two step mechanism, as loss of tertiary structure, hydrophobic collapse, and disintegration of the iron-sulphur centre are concomitant processes. The proposed mechanism is framed with the multiphasic one proposed for Pyrococcus furiosus rubredoxin, showing that a common thermal unfolding mechanism is not observed between these two closely related thermophilic rubredoxins.

  3. Method for introducing unidirectional nested deletions

    DOE Patents [OSTI]

    Dunn, J.J.; Quesada, M.A.; Randesi, M.

    1999-07-27

    Disclosed is a method for the introduction of unidirectional deletions in a cloned DNA segment. More specifically, the method comprises providing a recombinant DNA construct comprising a DNA segment of interest inserted in a cloning vector. The cloning vector has an f1 endonuclease recognition sequence adjacent to the insertion site of the DNA segment of interest. The recombinant DNA construct is then contacted with the protein pII encoded by gene II of phage f1 thereby generating a single-stranded nick. The nicked DNA is then contacted with E. coli Exonuclease III thereby expanding the single-stranded nick into a single-stranded gap. The single-stranded gapped DNA is then contacted with a single-strand-specific endonuclease thereby producing a linearized DNA molecule containing a double-stranded deletion corresponding in size to the single-stranded gap. The DNA treated in this manner is then incubated with DNA ligase under conditions appropriate for ligation. Also disclosed is a method for producing single-stranded DNA probes. In this embodiment, single-stranded gapped DNA, produced as described above, is contacted with a DNA polymerase in the presence of labeled nucleotides to fill in the gap. This DNA is then linearized by digestion with a restriction enzyme which cuts outside the DNA segment of interest. The product of this digestion is then denatured to produce a labeled single-stranded nucleic acid probe. 1 fig.

  4. Membrane associated phospholipase C from bovine brain

    SciTech Connect (OSTI)

    Lee, K.; Ryu, S.H.; Suh, P.; Choi, W.C.; Rhee, S.G.

    1987-05-01

    Cytosolic fractions of bovine brain contain 2 immunologically distinct phosphoinositide-specific phospholipase (PLC), PLC-I and PLC-II, whose MW are 150,000 and 145,000 respectively, under a denaturing condition. Monoclonal antibodies were derived against each form and specific radioimmunoassays were developed. Distribution of PLC-I and PLC-II in cytosolic and particulate fractions was measured using the radioimmunoassay. More than 90% of PLC-II was found in the cytosolic fraction, while the anti-PLC-I antibody cross-reacting protein was distributed nearly equally between the soluble fraction and the 2 M KCl extract of particulate fraction. The PLC enzyme in the particulate fraction was purified to homogeneity, yielding 2 proteins of 140 KDa and 150 KDa when analyzed on SDS-PAGE. Neither of the 2 enzymes cross-reacted with anti-PLC-II antibodies, but both could be immunoblotted by all 4 different anti-PLC-I antibodies. This suggests that the 140 KDa PLC was derived from the 150 KDa form. The 150 Kda form from particulate fraction was indistinguishable from the cytosolic PLC-I when their mixture was analyzed on SDS-PAGE. In addition, the elution profile of tryptic peptides derived from the 150 KDa particulate form was identical to that of cytosolic PLC-I. This result indicates that PLC-I is reversibly associated to membranes.

  5. Structure-Based Design of Robust Glucose Biosensors using a Thermotoga maritima Periplasmic Glucose-Binding Protein

    SciTech Connect (OSTI)

    Tian,Y.; Cunco, M.; Changela, A.; Hocker, B.; Beese, L.; Hellinga, H.

    2007-01-01

    We report the design and engineering of a robust, reagentless fluorescent glucose biosensor based on the periplasmic glucose-binding protein obtained from Thermotoga maritima (tmGBP). The gene for this protein was cloned from genomic DNA and overexpressed in Escherichia coli, the identity of its cognate sugar was confirmed, ligand binding was studied, and the structure of its glucose complex was solved to 1.7 Angstroms resolution by X-ray crystallography. TmGBP is specific for glucose and exhibits high thermostability (midpoint of thermal denaturation is 119 {+-} 1 C and 144 {+-} 2 C in the absence and presence of 1 mM glucose, respectively). A series of fluorescent conjugates was constructed by coupling single, environmentally sensitive fluorophores to unique cysteines introduced by site-specific mutagenesis at positions predicted to be responsive to ligand-induced conformational changes based on the structure. These conjugates were screened to identify engineered tmGBPs that function as reagentless fluorescent glucose biosensors. The Y13C Cy5 conjugate is bright, gives a large response to glucose over concentration ranges appropriate for in vivo monitoring of blood glucose levels (1-30 mM), and can be immobilized in an orientation-specific manner in microtiter plates to give a reversible response to glucose. The immobilized protein retains its response after long-term storage at room temperature.

  6. Edge effects in propagation of terahertz radiation in subwavelength periodic structures

    SciTech Connect (OSTI)

    Gelmont, B. Parthasarathy, R.; Globus, T.

    2008-08-15

    Improving detection sensitivity of biological molecules with low absorption characteristics in the terahertz gap still remains an important issue in terahertz vibrational resonance spectroscopy. One possible way to increase coupling of incident terahertz radiation to molecules is to exploit local enhancement of electromagnetic field in periodic slot arrays. In this work, we show that periodic arrays of rectangular slots with subwavelength widths provide for local electromagnetic field enhancements due to edge effects in our low frequency range of interest, 10-25 cm{sup -1}. Periodic structures of Au doped Si and InSb were studied. The half power enhancement width is {approx}500 nm or less around the slot, edges in all cases, thereby possibly bringing terahertz sensing to the nanoscale. InSb is confirmed to offer the highest results with local power enhancements on the order of 1100 at frequency 14 cm{sup -1}. InSb and Si have large skin depths in our frequency range of interest and so the analysis of their structures was done through the Fourier expansion method of field diffracted from gratings. Surface impedance boundary conditions were employed to model the Au structure. The applications possibly include development of novel biosensors, and monitoring biophysical processes such as DNA denaturation.

  7. Bubble dynamics in double stranded DNA : A Rouse chain based approach

    E-Print Network [OSTI]

    Rajarshi Chakrabarti

    2010-10-26

    We propose a model for the fluctuation dynamics of the local denaturation zones (bubbles) in double-stranded DNA. In our formulation, the DNA strand is model as a one dimensional Rouse chain confined at both the ends. The bubble is formed when the transverse displacement of the chain attains a critical value. This simple model effectively reproduces the autocorrelation function for the tagged base pair in the DNA strand as measured in the seminal single molecule experiment by Altan-Bonnet et. al (Phys. Rev. Lett. 90, 138101 (2003)). Although our model is mathematically similar to the one proposed by Chatterjee et al. (J. Chem. Phys. 127, 155104 (2007)) it goes beyond a single reaction coordinate description by incorporating the chain dynamics through a confined Rouse chain and thus considers the collective nature of the dynamics. Our model also shows that the autocorrelation function is very sensitive to the relaxation times of the normal modes of the chain, which is obvious since the fluctuation dynamics of the bubble has the contribution from the different normal modes of the chain.

  8. The Energy Landscape, Folding Pathways and the Kinetics of a Knotted Protein

    E-Print Network [OSTI]

    Michael C. Prentiss; David J. Wales; Peter G. Wolynes

    2010-07-02

    The folding pathway and rate coefficients of the folding of a knotted protein are calculated for a potential energy function with minimal energetic frustration. A kinetic transition network is constructed using the discrete path sampling approach, and the resulting potential energy surface is visualized by constructing disconnectivity graphs. Owing to topological constraints, the low-lying portion of the landscape consists of three distinct regions, corresponding to the native knotted state and to configurations where either the N- or C-terminus is not yet folded into the knot. The fastest folding pathways from denatured states exhibit early formation of the N-terminus portion of the knot and a rate-determining step where the C-terminus is incorporated. The low-lying minima with the N-terminus knotted and the C-terminus free therefore constitute an off-pathway intermediate for this model. The insertion of both the N- and C-termini into the knot occur late in the folding process, creating large energy barriers that are the rate limiting steps in the folding process. When compared to other protein folding proteins of a similar length, this system folds over six orders of magnitude more slowly.

  9. Santa Clara County Planar Solid Oxide Fuel Cell Demonstration Project

    SciTech Connect (OSTI)

    Fred Mitlitsky; Sara Mulhauser; David Chien; Deepak Shukla; David Weingaertner

    2009-11-14

    The Santa Clara County Planar Solid Oxide Fuel Cell (PSOFC) project demonstrated the technical viability of pre-commercial PSOFC technology at the County 911 Communications headquarters, as well as the input fuel flexibility of the PSOFC. PSOFC operation was demonstrated on natural gas and denatured ethanol. The Santa Clara County Planar Solid Oxide Fuel Cell (PSOFC) project goals were to acquire, site, and demonstrate the technical viability of a pre-commercial PSOFC technology at the County 911 Communications headquarters. Additional goals included educating local permit approval authorities, and other governmental entities about PSOFC technology, existing fuel cell standards and specific code requirements. The project demonstrated the Bloom Energy (BE) PSOFC technology in grid parallel mode, delivering a minimum 15 kW over 8760 operational hours. The PSOFC system demonstrated greater than 81% electricity availability and 41% electrical efficiency (LHV net AC), providing reliable, stable power to a critical, sensitive 911 communications system that serves geographical boundaries of the entire Santa Clara County. The project also demonstrated input fuel flexibility. BE developed and demonstrated the capability to run its prototype PSOFC system on ethanol. BE designed the hardware necessary to deliver ethanol into its existing PSOFC system. Operational parameters were determined for running the system on ethanol, natural gas (NG), and a combination of both. Required modeling was performed to determine viable operational regimes and regimes where coking could occur.

  10. Pyrolysis of waste tyres: A review

    SciTech Connect (OSTI)

    Williams, Paul T.

    2013-08-15

    Graphical abstract: - Highlights: • Pyrolysis of waste tyres produces oil, gas and char, and recovered steel. • Batch, screw kiln, rotary kiln, vacuum and fluidised-bed are main reactor types. • Product yields are influenced by reactor type, temperature and heating rate. • Pyrolysis oils are complex and can be used as chemical feedstock or fuel. • Research into higher value products from the tyre pyrolysis process is reviewed. - Abstract: Approximately 1.5 billion tyres are produced each year which will eventually enter the waste stream representing a major potential waste and environmental problem. However, there is growing interest in pyrolysis as a technology to treat tyres to produce valuable oil, char and gas products. The most common reactors used are fixed-bed (batch), screw kiln, rotary kiln, vacuum and fluidised-bed. The key influence on the product yield, and gas and oil composition, is the type of reactor used which in turn determines the temperature and heating rate. Tyre pyrolysis oil is chemically very complex containing aliphatic, aromatic, hetero-atom and polar fractions. The fuel characteristics of the tyre oil shows that it is similar to a gas oil or light fuel oil and has been successfully combusted in test furnaces and engines. The main gases produced from the pyrolysis of waste tyres are H{sub 2}, C{sub 1}–C{sub 4} hydrocarbons, CO{sub 2}, CO and H{sub 2}S. Upgrading tyre pyrolysis products to high value products has concentrated on char upgrading to higher quality carbon black and to activated carbon. The use of catalysts to upgrade the oil to a aromatic-rich chemical feedstock or the production of hydrogen from waste tyres has also been reported. Examples of commercial and semi-commercial scale tyre pyrolysis systems show that small scale batch reactors and continuous rotary kiln reactors have been developed to commercial scale.

  11. Influence of pressure on coal pyrolysis and char gasification

    SciTech Connect (OSTI)

    Haiping Yang; Hanping Chen; Fudong Ju; Rong Yan; Shihong Zhang [Huazhong University of Science and Technology, Wuhan (China). State Key Laboratory of Coal Combustion

    2007-12-15

    Coal char structure varied greatly with pyrolysis pressure, which has a significant influence on the gasification reactivity. In this study, the influence of pressure on the behavior of coal pyrolysis and physicochemical structure and gasification characteristics of the resultant coal char was investigated using a pressurized thermogravimetric analyzer combined with an ambient thermogravimetric analyzer. First, the pyrolysis of Shenfu (SF) bituminous coal was performed in a pressurized thermogravimetric analyzer (TGA) at different pressures (0.1, 0.8, 1.5, 3, and 5 MPa). The volatile mainly evolved out at 400-800{sup o}C. The gas products are mainly CO{sub 2}, CO, CH{sub 4}, and light aliphatics with some water. It was observed that the pyrolysis of coal was shifted to lower temperature (50{sup o}C) with pressure increasing from ambient to 5 MPa, and the devolatilization rate of coal pyrolysis was decreased and the coal char yield was increased slightly. The structure of solid coal char was analyzed using FTIR, ASAP2020, and CNHS. In the solid char, the main organic functional groups are mainly CO, C-C (alkane), C-H ar, C-O-C, and C=C ar. The carbon content was increased while H content decreased. Finally, the gasification of the solid char was preformed at ambient pressure with CO{sub 2} as gasify agent. The gasification process of coal char can be divided into postpyrolysis and char gasification. Higher pressure accelerated the initial stage of char gasification, and higher gasification reactivity was observed for char derived at 5 MPa. 23 refs., 8 figs., 5 tabs.

  12. Iron(II) catalysis in oxidation of hydrocarbons with ozone in acetonitrile

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

    Bataineh, Hajem; Pestovsky, Oleg; Bakac, Andreja

    2015-02-11

    Oxidation of alcohols, ethers, and sulfoxides by ozone in acetonitrile is catalyzed by submillimolar concentrations of Fe(CH3CN)62+. The catalyst provides both rate acceleration and greater selectivity toward the less oxidized products. For example, Fe(CH3CN)62+-catalyzed oxidation of benzyl alcohol yields benzaldehyde almost exclusively (>95%), whereas the uncatalyzed reaction generates a 1:1 mixture of benzaldehyde and benzoic acid. Similarly, aliphatic alcohols are oxidized to aldehydes/ketones, cyclobutanol to cyclobutanone, and diethyl ether to a 1:1 mixture of ethanol and acetaldehyde. The kinetics of oxidation of alcohols and diethyl ether are first-order in [Fe(CH3CN)62+] and [O3] and independent of [substrate] at concentrations greater thanmore »~5 mM. In this regime, the rate constant for all of the alcohols is approximately the same, kcat = (8 ± 1) × 104 M–1 s–1, and that for (C2H5)2O is (5 ± 0.5) × 104 M–1 s–1. In the absence of substrate, Fe(CH3CN)62+ reacts with O3 with kFe = (9.3 ± 0.3) × 104 M–1 s–1. The similarity between the rate constants kFe and kcat strongly argues for Fe(CH3CN)62+/O3 reaction as rate-determining in catalytic oxidation. The active oxidant produced in Fe(CH3CN)62+/O3 reaction is suggested to be an Fe(IV) species in analogy with a related intermediate in aqueous solutions. As a result, this assignment is supported by the similarity in kinetic isotope effects and relative reactivities of the two species toward substrates.« less

  13. Self-Assembly, Molecular Ordering, and Charge Mobility in Solution-Processed Ultrathin Oligothiophene Films

    SciTech Connect (OSTI)

    Murphy,A.; Chang, P.; VanDyke, P.; Liu, J.; Frechet, J.; Subramanian, V.; Delongchamp, D.; Sambasivan, S.; Fischer, D.; Lin, E.

    2005-01-01

    Symmetrical {alpha}, {omega}-substituted quarter-(T4), penta-(T5), sexi-(T6), and heptathiophene (T7) oligomers containing thermally removable aliphatic ester solubilizing groups were synthesized, and their UV-vis and thermal characteristics were compared. Spun-cast thin films of each oligomer were examined with atomic force microscopy and near-edge X-ray absorption fine structure spectroscopy to evaluate the ability of the material to self-assemble from a solution-based process while maintaining complete surface coverage. Films of the T5-T7 oligomers self-assemble into crystalline terraces after thermal annealing with higher temperatures required to affect this transformation as the size of the oligomers increases. A symmetrical {alpha}, {omega}-substituted sexithiophene (T6-acid) that reveals carboxylic acids after thermolysis was also prepared to evaluate the effect of the presence of hydrogen-bonding moieties. The charge transport properties for these materials evaluated in top-contact thin film transistor devices were found to correlate with the observed morphology of the films. Therefore, the T4 and the T6-acid performed poorly because of incomplete surface coverage after thermolysis, while T5-T7 exhibited much higher performance as a result of molecular ordering. Increases in charge mobility correlated to increasing conjugation length with measured mobilities ranging from 0.02 to 0.06 cm2/(V{center_dot}s). The highest mobilities were measured when films of each oligomer had an average thickness between one and two monolayers, indicating that the molecules become exceptionally well-ordered during the thermolysis process. This unprecedented ordering of the solution-cast molecules results in efficient charge mobility rarely seen in such ultrathin films.

  14. Identification and characterization of conservative organic tracers for use as hydrologic tracers for the Yucca Mountain site characterization study. Final report

    SciTech Connect (OSTI)

    Stetzenbach, K.; Farnham, I.

    1996-06-01

    Extensive tracer testing is expected to take place at the C-well complex in the Nevada Test Site as part of the Yucca Mountain Site Characterization Project. The C-well complex consists of one pumping well, C3, and two injection wells, C1 and C2 into which tracer will be introduced. The goal of this research was to provide USGS with numerous tracers to completed these tests. Several classes of fluorinated organic acids have been evaluated. These include numerous isomers of fluorinated benzoic acids, cinnamic acids, and salicylic acids. Also several derivatives of 2-hydroxy nicotinic acid (pyridone) have been tested. The stability of these compounds was determined using batch and column tests. Ames testing (mutagenicity/carcinogenicity) was conducted on the fluorinated benzoic acids and a literature review of toxicity of the fluorobenzoates and three perfluoro aliphatic acids was prepared. Solubilities were measured and method development work was performed to optimize the detection of these compounds. A Quality Assurance (QA) Program was developed under existing DOE and USGS guidelines. The program includes QA procedures and technical standard operating procedures. A tracer test, using sodium iodide, was performed at the C-well complex. HRC chemists performed analyses on site, to provide real time data for the USGS hydrologists and in the laboratories at UNLV. Over 2,500 analyses were performed. This report provides the results of the laboratory experiments and literature reviews used to evaluate the potential tracers and reports on the results of the iodide C-well tracer test.

  15. Desulfurization of organic sulfur from a subbituminous coal by electron-transfer process with K{sub 4}(Fe(CN){sub 6})

    SciTech Connect (OSTI)

    Dipu Borah [Pragjyotika J College, Titabar (India). Department of Chemistry

    2006-02-01

    The desulfurization reaction involving direct electron transfer from potassium ferrocyanide, K{sub 4}(Fe(CN){sub 6}), successfully removed organic sulfur from a subbituminous coal. The temperature variation of desulfurization revealed that increase of temperature enhanced the level of sulfur removal. Moreover, the desulfurization reaction was found to be dependent on the concentration of K{sub 4}(Fe(CN){sub 6}). Gradual increase in the concentration of K{sub 4}(Fe(CN){sub 6}) raised the magnitude of desulfurization, but at higher concentration the variation was not significant. The removal of organic sulfur from unoxidized coal slightly increased with reduced particle size. Desulfurization from oxidized coals (prepared by aerial oxidation) revealed a higher level of sulfur removal in comparison to unoxidized coal. Highest desulfurization of 36.4 wt % was obtained at 90{sup o}C and 0.1 M concentration of K{sub 4}(Fe(CN){sub 6}) in the 100-mesh size oxidized coal prepared at 200{sup o}C. Model sulfur compound study revealed that aliphatic types of sulfur compounds are primarily responsible for desulfurization. Because of higher stability, thiophene and condensed thiophene-type of compounds perhaps remained unaffected by the electron-transfer agent. Infrared study revealed the formation of oxidized sulfur compounds (sulfoxide, sulfone, sulfonic acid, etc.) in the oxidized coals. The desulfurization reaction in different systems is well-represented by the pseudo-first-order kinetic model. Application of the transition state theory indicated that the desulfurization reaction proceeds with the absorption of heat (endothermic reaction) and is nonspontaneous in nature. 53 refs., 6 figs., 3 tabs.

  16. Carbon-Type Analysis and Comparison of Original and Reblended FACE Diesel Fuels (FACE 2, FACE 4, and FACE 7)

    SciTech Connect (OSTI)

    Bays, J. Timothy; King, David L.; O'Hagan, Molly J.

    2012-10-01

    This report summarizes the carbon-type analysis from 1H and 13C{1H} nuclear magnetic resonance spectroscopy (NMR) of Fuels for Advanced Combustion Engines (FACE) diesel blends, FD-2B, FD 4B, and FD-7B, and makes comparison of the new blends with the original FACE diesel blends, FD 2A, FD 4A, and FD-7A, respectively. Generally, FD-2A and FD-2B are more similar than the A and B blends of FD-4 and FD-7. The aromatic carbon content is roughly equivalent, although the new FACE blends have decreased monoaromatic content and increased di- and tri-cycloaromatic content, as well as a higher overall aromatic content, than the original FACE blends. The aromatic components of the new FACE blends generally have a higher alkyl substitution with longer alkyl substituents. The naphthenic and paraffinic contents remained relatively consistent. Based on aliphatic methyl and methylene carbon ratios, cetane numbers for FD-2A and -2B, and FD-7A and -7B are predicted to be consistent, while the cetane number for FD-4B is predicted to be higher than FD-4A. Overall, the new FACE fuel blends are fairly consistent with the original FACE fuel blends, but there are observable differences. In addition to providing important comparative compositional information on reformulated FACE diesel blends, this report also provides important information about the capabilities of the team at Pacific Northwest National Laboratory in the use of NMR spectroscopy for the detailed characterization and comparison of fuels and fuel blends.

  17. Occupational hygiene in terms of volatile organic compounds (VOCs) and bioaerosols at two solid waste management plants in Finland

    SciTech Connect (OSTI)

    Lehtinen, Jenni; Tolvanen, Outi; Nivukoski, Ulla; Veijanen, Anja; Hänninen, Kari

    2013-04-15

    Highlights: ? Odorous VOCs: acetic acid, 2,3-butanedione, ethyl acetate, alpha-pinene and limonene. ? VOC concentrations did not exceed occupational exposure limit concentrations. ? 2,3-Butanedione as the health effecting compound is discussed. ? Endotoxin concentrations may cause health problems in waste treatment. - Abstract: Factors affecting occupational hygiene were measured at the solid waste transferring plant at Hyvinkää and at the optic separation plant in Hämeenlinna. Measurements consisted of volatile organic compounds (VOCs) and bioaerosols including microbes, dust and endotoxins. The most abundant compounds in both of the plants were aliphatic and aromatic hydrocarbons, esters of carboxylic acids, ketones and terpenes. In terms of odour generation, the most important emissions were acetic acid, 2,3-butanedione, ethyl acetate, alpha-pinene and limonene due to their low threshold odour concentrations. At the optic waste separation plant, limonene occurred at the highest concentration of all single compounds of identified VOCs. The concentration of any single volatile organic compound did not exceed the occupational exposure limit (OEL) concentration. However, 2,3-butanedione as a health risk compound is discussed based on recent scientific findings linking it to lung disease. Microbe and dust concentrations were low at the waste transferring plant. Only endotoxin concentrations may cause health problems; the average concentration inside the plant was 425 EU/m{sup 3} which clearly exceeded the threshold value of 90 EU/m{sup 3}. In the wheel loader cabin the endotoxin concentrations were below 1 EU/m{sup 3}. High microbial and endotoxin concentrations were measured in the processing hall at the optic waste separation plant. The average concentration of endotoxins was found to be 10,980 EU/m{sup 3}, a concentration which may cause health risks. Concentrations of viable fungi were quite high in few measurements in the control room. The most problematic factor was endotoxins whose average measured concentrations was 4853 EU/m{sup 3}.

  18. Hydrocarbon biomarkers, thermal maturity, and depositional setting of tasmanite oil shales from Tasmania, Australia

    SciTech Connect (OSTI)

    Revill, A.T.; Volkman, J.K.; O'Leary, T. (CSIRO Division of Oceanography, Tasmania (Australia)); Summons, R.E.; Boreham, C.J. (Australian Geological Survey Organisation, Canberra (Australia)); Banks, M.R.; Denwer, K. (Univ. of Tasmania (Australia))

    1994-09-01

    This study represents the first geological and organic geochemical investigation of samples of tasmanite oil shale representing different thermal maturities from three separate locations in Tasmania, Australia. The most abundant aliphatic hydrocarbon in the immature oil shale from Latrobe is a C[sub 19] tricyclic alkane, whereas in the more mature samples from Oonah and Douglas River low molecular weight n-alkanes dominate the extractable hydrocarbon distribution. The aromatic hydrocarbons are predominantly derivatives of tricyclic compounds, with 1,2,8-trimethylphenanthrene increasing in relative abundance with increasing maturity. Geological and geochemical evidence suggests that the sediments were deposited in a marine environment of high latitude with associated cold waters and seasonal sea-ice. It is proposed that the organism contributing the bulk of the kerogen, Tasmanites, occupied an environmental niche similar to that of modern sea-ice diatoms and that bloom conditions coupled with physical isolation from atmospheric CO[sub 2] led to the distinctive [open quotes]isotopically heavy[close quotes] [delta][sup 13]C values for the kerogen. [delta][sup 13]C data from modern sea-ice diatoms supports this hypothesis. Isotopic analysis of n-alkanes in the bitumen suggests a multiple source from bacteria and algae. On the other hand, the n-alkanes generated from closed-system pyrolysis of the kerogen are mainly derived from the preserved Tasmanites biopolymer algaenan. The tricyclic compounds (mean -8[per thousand]) both in the bitumen and pyrolysate, have a common precursor. They are consistently enriched in [sup 13]C compared with the kerogen and probably have a different source from the n-alkanes. The identification of a location where the maturity of the tasmanite oil shale approaches the [open quotes]oil window[close quotes] raises the possibility that it may be a viable petroleum source rock.

  19. New organically templated photoluminescence iodocuprates(I)

    SciTech Connect (OSTI)

    Hou Qin; Zhao Jinjing; Zhao Tianqi; Jin Juan; Yu Jiehui; Xu Jiqing

    2011-07-15

    Two types of organic cyclic aliphatic diamine molecules piperazine (pip) and 1,3-bis(4-piperidyl)propane (bpp) were used, respectively, to react with an inorganic mixture of CuI and KI in the acidic CH{sub 3}OH solutions under the solvothermal conditions, generating finally three new organically templated iodocuprates as 2-D layered [(Hpip)Cu{sub 3}I{sub 4}] 1, 1-D chained [tmpip][Cu{sub 2}I{sub 4}] 2 (tmpip=N,N,N',N'-tetramethylpiperazinium) and dinuclear [H{sub 2}bpp]{sub 2}[Cu{sub 2}I{sub 5}] I.2H{sub 2}O 3. Note that the templating agent tmpip{sup 2+} in compound 2 originated from the in situ N-alkylation reaction between the pip molecule and the methanol solvent. The photoluminescence analysis indicates that the title compounds emit the different lights: yellow for 1, blue for 2 and yellow-green for 3, respectively. - Graphical abstract: The solvothermal self-assemblies of CuI, KI and pip/bpp in acidic CH{sub 3}OH solutions created three iodocuprates 2-D layered [(Hpip)Cu{sub 3}I{sub 4}] 1, 1-D chained [tmpip][Cu{sub 2}I{sub 4}] 2 and dinuclear [H{sub 2}bpp]{sub 2}[Cu{sub 2}I{sub 5}] I.2H{sub 2}O 3. Highlights: > A new layered iodocuprate(I) with 20-membered rings was hydrothermally prepared. > A simple approach to prepare the new organic templating agent was reported. > Photoluminescence analysis indicates the emission for iodocuprate(I) is associated with the Cu...Cu interactions.

  20. Behavior of sulfur and chlorine in coal during combustion and boiler corrosion. [Quarterly] technical report, March 1, 1992--May 31, 1992

    SciTech Connect (OSTI)

    Chou, C.L.; Hackley, K.C.; Donnals, G.L.; Cao, J.; Ruch, R.R. [Illinois State Geological Survey, Champaign, IL (United States); Pan, W.P.; Shao, D. [Western Kentucky Univ., Bowling Green, KY (United States)

    1992-10-01

    Four replicate experiments of pyrolysis with quadrupole gas analyzer and ion selective electrode were conducted to monitor the release of chlorine and sulfur from a high-chlorine Illinois coal IBC-109 (0.42% chlorine on dry basis). The chlorine in coal is released solely as HCl, and the HCl release profile shows a broad peak between 250{degree}C and 600{degree}C with a maximum at 445{degree}C. In contrast, the sulfur release profile shows three peaks; the sulfur released around 370{degree}C may be derived from a labile (possibly aliphatic) component of organic sulfur, the main peak at 475{degree}C corresponds to the release of the main component (thiophenic) of organic sulfur, and the third peak at 600{degree} results from the decomposition of pyrite. Sulfur dioxide (SO{sub 2}) is the major sulfur species under an oxidizing condition in the combustion gas; additional gaseous sulfur species (COS and H{sub 2}S) are observed when the atmosphere is changed to a reducing condition. Sodium and chlorine contents in char residues determined by neutron activation analysis showed that 98% of chlorine in coal was volatilized during pyrolysis to 800{degree}C, and all the sodium is retained in the chars. The thermogravimetry-Fourier transform infrared (FTIR) spectroscopy experiments were carried out to characterize gaseous species during pyrolysis of four Illinois coals (IBC-103, -105, -106, and -109). Gas evolution profiles of sulfur (H{sub 2}S, S0{sub 2}, and COS), chlorine (HCl), and nitrogen (NH{sub 3} and HCN) species were determined. Similar release profiles of HCl and NH{sub 3} supported an interpretation that chlorine and nitrogen are closely associated in coal. COS may be formed by reaction of CO with H{sub 2}S in the gas phase.

  1. 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.

  2. Evolution of Substrate Specificity within a Diverse Family of [beta/alpha]-Barrel-fold Basic Amino Acid Decarboxylases X-ray Structure Determination of Enzymes with Specificity for L-Arginine and Carboxynorspermidine

    SciTech Connect (OSTI)

    Deng, Xiaoyi; Lee, Jeongmi; Michael, Anthony J.; Tomchick, Diana R.; Goldsmith, Elizabeth J.; Phillips, Margaret A. (Sungkyunkwan); (UTSMC)

    2010-08-26

    Pyridoxal 5{prime}-phosphate (PLP)-dependent basic amino acid decarboxylases from the {beta}/{alpha}-barrel-fold class (group IV) exist in most organisms and catalyze the decarboxylation of diverse substrates, essential for polyamine and lysine biosynthesis. Herein we describe the first x-ray structure determination of bacterial biosynthetic arginine decarboxylase (ADC) and carboxynorspermidine decarboxylase (CANSDC) to 2.3- and 2.0-{angstrom} resolution, solved as product complexes with agmatine and norspermidine. Despite low overall sequence identity, the monomeric and dimeric structures are similar to other enzymes in the family, with the active sites formed between the {beta}/{alpha}-barrel domain of one subunit and the {beta}-barrel of the other. ADC contains both a unique interdomain insertion (4-helical bundle) and a C-terminal extension (3-helical bundle) and it packs as a tetramer in the asymmetric unit with the insertions forming part of the dimer and tetramer interfaces. Analytical ultracentrifugation studies confirmed that the ADC solution structure is a tetramer. Specificity for different basic amino acids appears to arise primarily from changes in the position of, and amino acid replacements in, a helix in the {beta}-barrel domain we refer to as the 'specificity helix.' Additionally, in CANSDC a key acidic residue that interacts with the distal amino group of other substrates is replaced by Leu{sup 314}, which interacts with the aliphatic portion of norspermidine. Neither product, agmatine in ADC nor norspermidine in CANSDC, form a Schiff base to pyridoxal 5{prime}-phosphate, suggesting that the product complexes may promote product release by slowing the back reaction. These studies provide insight into the structural basis for the evolution of novel function within a common structural-fold.

  3. A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals

    SciTech Connect (OSTI)

    Peyret, Thomas [DSEST, Universite de Montreal, Canada H3T 1A8 (Canada); Poulin, Patrick [Consultant, 4009 rue Sylvia Daoust, Quebec City, Quebec, G1X 0A6 (Canada); Krishnan, Kannan, E-mail: kannan.krishnan@umontreal.ca [DSEST, Universite de Montreal, H3T 1A8 (Canada)

    2010-12-15

    The algorithms in the literature focusing to predict tissue:blood PC (P{sub tb}) for environmental chemicals and tissue:plasma PC based on total (K{sub p}) or unbound concentration (K{sub pu}) for drugs differ in their consideration of binding to hemoglobin, plasma proteins and charged phospholipids. The objective of the present study was to develop a unified algorithm such that P{sub tb}, K{sub p} and K{sub pu} for both drugs and environmental chemicals could be predicted. The development of the unified algorithm was accomplished by integrating all mechanistic algorithms previously published to compute the PCs. Furthermore, the algorithm was structured in such a way as to facilitate predictions of the distribution of organic compounds at the macro (i.e. whole tissue) and micro (i.e. cells and fluids) levels. The resulting unified algorithm was applied to compute the rat P{sub tb}, K{sub p} or K{sub pu} of muscle (n = 174), liver (n = 139) and adipose tissue (n = 141) for acidic, neutral, zwitterionic and basic drugs as well as ketones, acetate esters, alcohols, aliphatic hydrocarbons, aromatic hydrocarbons and ethers. The unified algorithm reproduced adequately the values predicted previously by the published algorithms for a total of 142 drugs and chemicals. The sensitivity analysis demonstrated the relative importance of the various compound properties reflective of specific mechanistic determinants relevant to prediction of PC values of drugs and environmental chemicals. Overall, the present unified algorithm uniquely facilitates the computation of macro and micro level PCs for developing organ and cellular-level PBPK models for both chemicals and drugs.

  4. 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.

  5. CO2-Binding Organic Liquids Gas Capture with Polarity-Swing-Assisted Regeneration Full Technology Feasibility Study B1 - Solvent-based Systems

    SciTech Connect (OSTI)

    Heldebrant, David J

    2014-08-31

    PNNL, Fluor Corporation and Queens University (Kingston, ON) successfully completed a three year comprehensive study of the CO2BOL water-lean solvent platform with Polarity Swing Assisted Regeneration (PSAR). This study encompassed solvent synthesis, characterization, environmental toxicology, physical, thermodynamic and kinetic property measurements, Aspen Plus™ modeling and bench-scale testing of a candidate CO2BOL solvent molecule. Key Program Findings The key program findings are summarized as follows: • PSAR favorably reduced stripper duties and reboiler temperatures with little/no impact to absorption column • >90% CO2 capture was achievable at reasonable liquid-gas ratios in the absorber • High rich solvent viscosities (up to 600 cP) were successfully demonstrated in the bench-scale system. However, the projected impacts of high viscosity to capital cost and operational limits compromised the other levelized cost of electricity benefits. • Low thermal conductivity of organics significantly increased the required cross exchanger surface area, and potentially other heat exchange surfaces. • CO2BOL had low evaporative losses during bench-scale testing • There was no evidence of foaming during bench scale testing • Current CO2BOL formulation costs project to be $35/kg • Ecotoxicity (Water Daphnia) was comparable between CO2BOL and MEA (169.47 versus 103.63 mg/L) • Full dehydration of the flue gas was determined to not be economically feasible. However, modest refrigeration (13 MW for the 550 MW reference system) was determined to be potentially economically feasible, and still produce a water-lean condition for the CO2BOLs (5 wt% steady-state water loading). • CO2BOLs testing with 5 wt% water loading did not compromise anhydrous performance behavior, and showed actual enhancement of CO2 capture performance. • Mass transfer of CO2BOLs was not greatly impeded by viscosity • Facile separation of antisolvent from lean CO2BOL was demonstrated on the bench cart • No measurable solvent degradation was observed over 4 months of testing – even with 5 wt% water present

  6. The synthesis, characterization and reactivity of high oxidation state nickel fluorides

    SciTech Connect (OSTI)

    Chacon, L.C. [Univ. of Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Chemical Sciences Div.

    1997-12-01

    The research described in this thesis has mainly addressed the challenge of the synthesis of thermodynamically unstable nickel fluorides, which cannot be made by traditional thermal methods. A low-temperature approach towards the synthesis of such transition metal fluorides exploits the greater thermodynamic stability of high oxidation states in anions and involves the use of anhydrous hydrogen fluoride (aHF) as a solvent. The general method consists of combining an aHF soluble starting material (e.g., K{sub 2}NiF{sub 6}) with a Lewis fluoroacid (e.g., BF{sub 3}), which precipitates a neutral polymeric solid state fluoride: 2 K{sup +} + NiF{sub 6}{sup 2{minus}} + BF{sub 3} {r_arrow} NiF{sub 4} + 2 BF{sub 4}{sup {minus}} + 2 K{sup +}. At room temperature, this reaction yields a different structural phase, with composition K{sub x}NiF{sub 3} (x {approx} 0.18). This material has a pseudo-hexagonal tungsten bronze structure (H{sub 0}-K{sub x}NiF{sub 3}), and is an ionic conductor, probably due to K{sup +} ions hosted in the lattice channels. R-NiF{sub 3} is capable of fluorinating a wide range of inorganic and organic substrates. These reactions have probably shed light on the mechanism of the Simons Electrochemical Fluorination (ECF) Process, an important industrial method of fluorinating organic compounds. It has long been speculated that NiF{sub 3} plays a role in the ECF process, which uses nickel electrodes in aHF solvent. K{sub 2}NiF{sub 6} also fluorinates organic compounds in aHF, but interestingly, yields different fluorinated products. The reduction of R-NiF{sub 3} and K{sub 2}NiF{sub 6} during fluorination reactions yields NiF{sub 2}. A method has been developed to regenerate NiF{sub 6}{sup 2{minus}} from NiF{sub 2}.

  7. Temperature and Length Scale Dependence of Solvophobic Solvation in a Single-site Water-like Liquid

    E-Print Network [OSTI]

    John R. Dowdle; Sergey V. Buldyrev; H. Eugene Stanley; Pablo G. Debenedetti; Peter J. Rossky

    2012-11-01

    The temperature and length scale dependence of solvation properties of spherical hard solvophobic solutes is investigated in the Jagla liquid, a simple liquid that consists of particles interacting via a spherically symmetric potential combining a hard core repulsion and a longer ranged soft core interaction, yet exhibits water-like anomalies. The results are compared with equivalent calculations for a model of a typical atomic liquid, the Lennard-Jones (LJ) potential, and with predictions for hydrophobic solvation in water using the cavity equation of state and the extended simple point charge (SPC/E) model. We find that the Jagla liquid captures the qualitative thermodynamic behavior of hydrophobic hydration as a function of temperature for both small and large length scale solutes. In particular, for both the Jagla liquid and water, we observe temperature-dependent enthalpy and entropy of solvation for all solute sizes as well as a negative solvation entropy for sufficiently small solutes at low temperature. The results suggest that, compared to a simple liquid, it is the presence of a second thermally accessible repulsive energy scale, acting to increasingly favor larger separations for decreasing temperature, that is the essential characteristic of a liquid that favors low-density, open structures and models hydrophobic hydration, and that it is the presence of this second energy scale that leads to the similarity in the behavior of water and the Jagla liquid. The implications of the temperature and length scale dependence of solvation free energies in water-like liquids are explored with a simple model for the aggregation of solvophobic solutes. We show how aggregate stability depends upon the size of the aggregate and the size of its constituent solutes, and we relate this dependence to cold-induced destabilization phenomena such as the cold-induced denaturation of proteins.

  8. A replica-coupling approach to disordered pinning models

    E-Print Network [OSTI]

    Fabio Lucio Toninelli

    2007-10-12

    We consider a renewal process \\tau={\\tau_0,\\tau_1,...} on the integers, where the law of \\tau_i-\\tau_{i-1} has a power-like tail P(\\tau_i-\\tau_{i-1}=n)=n^{-(\\alpha+1)}L(n) with \\alpha\\ge0 and L(.) slowly varying. We then assign a random, n-dependent reward/penalty to the occurrence of the event that the site n belongs to tau. This class of problems includes, among others, (1+d)-dimensional models of pinning of directed polymers on a one-dimensional random defect, (1+1)-dimensional models of wetting of disordered substrates, and the Poland-Scheraga model of DNA denaturation. By varying the average of the reward, the system undergoes a transition from a localized phase where \\tau occupies a finite fraction of N to a delocalized phase where the density of \\tau vanishes. In absence of disorder the transition is of first order for \\alpha>1 and of higher order for \\alpha1/2. In physical terms, disorder is relevant in this situation, in agreement with the heuristic Harris criterion. On the other hand, for 0<\\alpha<1/2 it has been proven recently by K. Alexander that, if disorder is sufficiently weak, critical exponents are not modified by randomness: disorder is irrelevant. In this work, generalizing techniques which in the framework of spin glasses are known as replica coupling and interpolation, we give a new, simpler proof of the main results of [2]. Moreover, we (partially) justify a small-disorder expansion worked out in [9] for \\alpha<1/2, showing that it provides a free energy upper bound which improves the annealed one.

  9. Structural basis of the heterodimerization of the MST and RASSF SARAH domains in the Hippo signalling pathway

    SciTech Connect (OSTI)

    Hwang, Eunha; Cheong, Hae-Kap; Mushtaq, Ameeq Ul; Kim, Hye-Yeon; Yeo, Kwon Joo; Kim, Eunhee; Lee, Woo Cheol; Hwang, Kwang Yeon; Cheong, Chaejoon; Jeon, Young Ho

    2014-07-01

    The heterodimeric structure of the MST1 and RASSF5 SARAH domains is presented. A comparison of homodimeric and heterodimeric interactions provides a structural basis for the preferential association of the SARAH heterodimer. Despite recent progress in research on the Hippo signalling pathway, the structural information available in this area is extremely limited. Intriguingly, the homodimeric and heterodimeric interactions of mammalian sterile 20-like (MST) kinases through the so-called ‘SARAH’ (SAV/RASSF/HPO) domains play a critical role in cellular homeostasis, dictating the fate of the cell regarding cell proliferation or apoptosis. To understand the mechanism of the heterodimerization of SARAH domains, the three-dimensional structures of an MST1–RASSF5 SARAH heterodimer and an MST2 SARAH homodimer were determined by X-ray crystallography and were analysed together with that previously determined for the MST1 SARAH homodimer. While the structure of the MST2 homodimer resembled that of the MST1 homodimer, the MST1–RASSF5 heterodimer showed distinct structural features. Firstly, the six N-terminal residues (Asp432–Lys437), which correspond to the short N-terminal 3{sub 10}-helix h1 kinked from the h2 helix in the MST1 homodimer, were disordered. Furthermore, the MST1 SARAH domain in the MST1–RASSF5 complex showed a longer helical structure (Ser438–Lys480) than that in the MST1 homodimer (Val441–Lys480). Moreover, extensive polar and nonpolar contacts in the MST1–RASSF5 SARAH domain were identified which strengthen the interactions in the heterodimer in comparison to the interactions in the homodimer. Denaturation experiments performed using urea also indicated that the MST–RASSF heterodimers are substantially more stable than the MST homodimers. These findings provide structural insights into the role of the MST1–RASSF5 SARAH domain in apoptosis signalling.

  10. Chapter 11. Community analysis-based methods

    SciTech Connect (OSTI)

    Cao, Y.; Wu, C.H.; Andersen, G.L.; Holden, P.A.

    2010-05-01

    Microbial communities are each a composite of populations whose presence and relative abundance in water or other environmental samples are a direct manifestation of environmental conditions, including the introduction of microbe-rich fecal material and factors promoting persistence of the microbes therein. As shown by culture-independent methods, different animal-host fecal microbial communities appear distinctive, suggesting that their community profiles can be used to differentiate fecal samples and to potentially reveal the presence of host fecal material in environmental waters. Cross-comparisons of microbial communities from different hosts also reveal relative abundances of genetic groups that can be used to distinguish sources. In increasing order of their information richness, several community analysis methods hold promise for MST applications: phospholipid fatty acid (PLFA) analysis, denaturing gradient gel electrophoresis (DGGE), terminal restriction fragment length polymorphism (TRFLP), cloning/sequencing, and PhyloChip. Specific case studies involving TRFLP and PhyloChip approaches demonstrate the ability of community-based analyses of contaminated waters to confirm a diagnosis of water quality based on host-specific marker(s). The success of community-based MST for comprehensively confirming fecal sources relies extensively upon using appropriate multivariate statistical approaches. While community-based MST is still under evaluation and development as a primary diagnostic tool, results presented herein demonstrate its promise. Coupled with its inherently comprehensive ability to capture an unprecedented amount of microbiological data that is relevant to water quality, the tools for microbial community analysis are increasingly accessible, and community-based approaches have unparalleled potential for translation into rapid, perhaps real-time, monitoring platforms.

  11. Ligand-induced conformational changes in a thermophilic ribose-binding protein

    SciTech Connect (OSTI)

    Cuneo, Matthew J.; Beese, Lorena S.; Hellinga, Homme W.

    2009-05-21

    Members of the periplasmic binding protein (PBP) superfamily are involved in transport and signaling processes in both prokaryotes and eukaryotes. Biological responses are typically mediated by ligand-induced conformational changes in which the binding event is coupled to a hinge-bending motion that brings together two domains in a closed form. In all PBP-mediated biological processes, downstream partners recognize the closed form of the protein. This motion has also been exploited in protein engineering experiments to construct biosensors that transduce ligand binding to a variety of physical signals. Understanding the mechanistic details of PBP conformational changes, both global (hinge bending, twisting, shear movements) and local (rotamer changes, backbone motion), therefore is not only important for understanding their biological function but also for protein engineering experiments. Here we present biochemical characterization and crystal structure determination of the periplasmic ribose-binding protein (RBP) from the hyperthermophile Thermotoga maritima in its ribose-bound and unliganded state. The T. maritima RBP (tmRBP) has 39% sequence identity and is considerably more resistant to thermal denaturation (appTm value is 108 C) than the mesophilic Escherichia coli homolog (ecRBP) (appTm value is 56 C). Polar ligand interactions and ligand-induced global conformational changes are conserved among ecRBP and tmRBP; however local structural rearrangements involving side-chain motions in the ligand-binding site are not conserved. Although the large-scale ligand-induced changes are mediated through similar regions, and are produced by similar backbone movements in tmRBP and ecRBP, the small-scale ligand-induced structural rearrangements differentiate the mesophile and thermophile. This suggests there are mechanistic differences in the manner by which these two proteins bind their ligands and are an example of how two structurally similar proteins utilize different mechanisms to form a ligand-bound state.

  12. Layered zirconium phosphonate with inorganic–organic hybrid structure: Preparation and its assembly with DNA

    SciTech Connect (OSTI)

    Liu, Li-Min [School of Chemistry and Chemical Engineering, The Key Laboratory of Coordination Chemistry of Jiangxi Province, Jinggangshan University, Ji’an 343009 (China); State Key Laboratory of Analytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Lu, Guo-Yuan [State Key Laboratory of Analytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Jiang, Li-Ping, E-mail: jianglp@nju.edu.cn [State Key Laboratory of Analytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Zhu, Jun-Jie [State Key Laboratory of Analytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China)

    2014-07-01

    An aminoethoxy-functionalized zirconium phosphonate (Zr(O{sub 3}POCH{sub 2}CH{sub 2}NH{sub 2}){sub 2}·3H{sub 2}O), abbreviated as ZrRP (R=OCH{sub 2}CH{sub 2}NH{sub 2}), with layered structure has been synthesized. This layered compound possesses the characteristic of inorganic–organic hybrid, due to the covalently linked aminoethoxy in the host layer. The anion exchanged property of this zirconium phosphonate is suitable for the direct intercalation of negatively charged DNA, which is different from these reported zirconium phosphates or zirconium phosphonates. As a precursor, this prepared zirconium phosphonate was utilized to fabricate a novel DNA/ZrRP binary hybrid via a delamination-reassembly procedure. The release behavior of DNA from the DNA/ZrRP composite was investigated at different medium pH, because the combination between zirconium phosphonate sheets and DNA was pH-dependent sensitively. Moreover, the helical conformation of DNA was almost retained after the intercalation and release process. These properties of the DNA/ZrRP composite suggested the potential application of layered zirconium phosphonate as a non-viral vector in gene delivery. - Graphical abstract: The intercalation of DNA into zirconium phosphonate and the release of DNA from the interlayer of zirconium phosphonate. - Highlights: ?A layered aminoethoxy-functionalized zirconium phosphonate has been synthesized. ?DNA was intercalated directly into the prepared zirconium phosphonate. ?A novel zirconium phosphonate/DNA binary hybrid was fabricated. ?DNA can be reversibly released from the interlayer of zirconium phosphonate. ?The intercalation/release processes do not induce the denaturalization of DNA.

  13. Effect of cosolvent on protein stability: A theoretical investigation

    SciTech Connect (OSTI)

    Chalikian, Tigran V.

    2014-12-14

    We developed a statistical thermodynamic algorithm for analyzing solvent-induced folding/unfolding transitions of proteins. The energetics of protein transitions is governed by the interplay between the cavity formation contribution and the term reflecting direct solute-cosolvent interactions. The latter is viewed as an exchange reaction in which the binding of a cosolvent to a solute is accompanied by release of waters of hydration to the bulk. Our model clearly differentiates between the stoichiometric and non-stoichiometric interactions of solvent or co-solvent molecules with a solute. We analyzed the urea- and glycine betaine (GB)-induced conformational transitions of model proteins of varying size which are geometrically approximated by a sphere in their native state and a spherocylinder in their unfolded state. The free energy of cavity formation and its changes accompanying protein transitions were computed based on the concepts of scaled particle theory. The free energy of direct solute-cosolvent interactions were analyzed using empirical parameters previously determined for urea and GB interactions with low molecular weight model compounds. Our computations correctly capture the mode of action of urea and GB and yield realistic numbers for (??G°/?a{sub 3}){sub T,P} which are related to the m-values of protein denaturation. Urea is characterized by negative values of (??G°/?a{sub 3}){sub T,P} within the entire range of urea concentrations analyzed. At concentrations below ?1 M, GB exhibits positive values of (??G°/?a{sub 3}){sub T,P} which turn positive at higher GB concentrations. The balance between the thermodynamic contributions of cavity formation and direct solute-cosolvent interactions that, ultimately, defines the mode of cosolvent action is extremely subtle. A 20% increase or decrease in the equilibrium constant for solute-cosolvent binding may change the sign of (??G°/?a{sub 3}){sub T,P} thereby altering the mode of cosolvent action (stabilizing to destabilizing or vice versa)

  14. Prospects for Simulating Macromolecular Surfactant Chemistry at the Ocean-Atmosphere Boundary

    SciTech Connect (OSTI)

    Elliott, S.; Burrows, Susannah M.; Deal, C.; Liu, Xiaohong; Long, M.; Ogunro, O.; Russell, Lynn M.; Wingenter, O.

    2014-05-01

    Biogenic lipids and polymers are surveyed for their ability to adsorb at the water-air interfaces associated with bubbles, marine microlayers and particles in the overlying boundary layer. Representative ocean biogeochemical regimes are defined in order to estimate local concentrations for the major macromolecular classes. Surfactant equilibria and maximum excess are then derived based on a network of model compounds. Relative local coverage and upward mass transport follow directly, and specific chemical structures can be placed into regional rank order. Lipids and denatured protein-like polymers dominate at the selected locations. The assigned monolayer phase states are variable, whether assessed along bubbles or at the atmospheric spray droplet perimeter. Since oceanic film compositions prove to be irregular, effects on gas and organic transfer are expected to exhibit geographic dependence as well. Moreover, the core arguments extend across the sea-air interface into aerosol-cloud systems. Fundamental nascent chemical properties including mass to carbon ratio and density depend strongly on the geochemical state of source waters. High surface pressures may suppress the Kelvin effect, and marine organic hygroscopicities are almost entirely unconstrained. While bubble adsorption provides a well-known means for transporting lipidic or proteinaceous material into sea spray, the same cannot be said of polysaccharides. Carbohydrates tend to be strongly hydrophilic so that their excess carbon mass is low despite stacked polymeric geometries. Since sugars are abundant in the marine aerosol, gel-based mechanisms may be required to achieve uplift. Uncertainties in the surfactant logic distill to a global scale dearth of information regarding two dimensional kinetics and equilibria. Nonetheless simulations are recommended, to initiate the process of systems level quantification.

  15. FY-2011 Status Report for Thermodynamics and Kinetics of Advanced Separations Systems

    SciTech Connect (OSTI)

    Leigh R. Martin; Peter R. Zalupski; Travis S. Grimes

    2011-09-01

    This report presents a summary of the work performed in the area of thermodynamics and kinetics of advanced separations systems under the Fuel Cycle Research and Development (FCR&D) program during FY 2011 at the INL. On the thermodynamic front, investigations of liquid-liquid distribution of lanthanides at TALSPEAK-related conditions continued in FY11. It has been determined that a classical ion-exchanging phase transfer mechanism, where three HDEHP dimers solvate the metal ion in the organic phase, dominates metal extraction for systems that contain up to 0.1 M free lactate in solution. The correct graphical interpretation of the observed data in those regions relied on incorporating corrections for non-ideal behavior of HDEHP dimer in aliphatic diluents as well as sodium extraction equilibria. When aqueous conditions enter the complex regions of high lactate concentrations, slope analysis is no longer possible. When normalized metal distribution ratios were studied along the increasing concentration of free lactate, a slope of -1 was apparent. Such dependency either indicates aqueous complexing competition from lactate, or, a more likely scenario, a participation of lactate in the extracted metal complex. This finding agrees with our initial assessment of postulated changes in the extraction mechanism as a source of the lactate-mediated loss of extraction efficiency. The observed shape in the lanthanide distribution curve in our studies of TALSPEAK systems was the same for solutions containing no lactate or 2.3 M lactate. As such we may conclude that the mechanism of phase transfer is not altered dramatically and remains similarly sensitive to effective charge density of the metal ion. In addition to these thermodynamics studies, this report also summarizes the first calorimetric determination of heat of extraction of 248Cm in a bi-phasic system. The heat of extraction measured by isothermal titration calorimetry is compared to that determined using van't Hoff calculations. Further investigations on the kinetics of extraction in TALSPEAK with macro quantities of lanthanides present in the initial aqueous phase composition have been performed. These results have been summarized and compared to previous work performed for FCR&D. In addition, the effects of HDEHP concentration in the organic phase on europium extraction have been studied.

  16. Distribution Behavior of U(VI), Pu(IV), Am(III), and Zr(IV) with N,N-Dihexyl Octanamide Under Uranium-Loading Conditions

    SciTech Connect (OSTI)

    Manchanda, V.K.; Ruikar, P.B.; Sriram, S.; Nagar, M.S.; Pathak, P.N.; Gupta, K.K.; Singh, R.K.; Chitnis, R.R.; Dhami, P.S.; Ramanujam, A. [Bhabha Atomic Research Centre (India)

    2001-06-15

    While the tri-n-butyl phosphate (TBP)-based PUREX process has been the workhorse of the nuclear fuel reprocessing industry for the last four and a half decades, a few drawbacks associated with the use of TBP have caused concern to the separation scientists and technologists. These shortcomings may pose a serious challenge particularly during the reprocessing of (a) short cooled thermal reactor fuels, (b) fast reactor fuels with the larger Pu content and significantly higher burn up, and (c) while treating various waste streams for their disposal to the environment. The N,N-dialkyl aliphatic amides have received particular attention as alternate potential extractants for the reprocessing of spent nuclear fuels in view of (a) the innocuous nature of their degradation products, namely, carboxylic acids/amines and (b) the possibility to incinerate the used solvent leading to reduced volume of secondary waste. The physical and chemical properties of these amides are influenced strongly by the nature of alkyl groups. The extractant N,N-dihexyl octanamide (DHOA) was found to be a promising candidate among a large number of extractants studied. Laboratory batch studies as well as mixer settler studies were performed under process conditions with DHOA and compared with those of TBP. DHOA was found to extract Pu(IV) more efficiently than TBP, both at trace-level concentration as well as under uranium loading conditions. In addition, the extraction behavior of Am(III) and Zr(IV) was studied at varying nitric acid concentrations (1 to 6 M). Extraction behavior of uranium at macroconcentrations (9.9 to 157.7 g/l) was carried out at different temperatures, and it was observed that D{sub U} decreased with the increase in U loading as well as with the increase of temperature (in the range 25 to 45 deg. C) and that the two-phase reaction was exothermic in nature. Mixer settler studies on U(VI) revealed that DHOA is similar to TBP during the extraction cycle but better than TBP during the stripping cycle.

  17. Development of Advanced Membranes Technology Platform for Hydrocarbon Separations

    SciTech Connect (OSTI)

    Kalthod, Dr Dilip

    2010-03-01

    Virtually all natural gas is dehydrated during its production, transmission and storage, mostly by absorption processes. Membranes offer many potential advantages over absorption, including smaller footprints, lighter-weight packages, packaging flexibility, minimal electrical power duty, amenability to expansion due to system modularity, reduced maintenance costs, reduced emissions of heavy hydrocarbons, no liquid waste streams, and amenability to unmanned operation. The latter is particularly valuable because new natural gas sources are generally located in remote onshore and offshore sites. Most commercially-available membranes for natural gas upgrading involve high capital costs, high methane loss and performance degradation from operational upsets – all of which are barriers to their widespread adoption by the industry. The original focus of the project was to develop and demonstrate robust, high-performance membranes for natural gas dehydration. The first task completed was a user needs-and-wants study to 1) clarify the expectations of system fabricators and end users of the new separations equipment, and 2) establish the required technical and commercial targets for the membrane products. Following this, membrane system modeling and membrane development in the lab proceeded in parallel. Membrane module diameter and length, as well as and the fiber outer and inner fiber diameter, were optimized from a mathematical model that accounts for the relevant fluid dynamics and permeation phenomena. Module design was evaluated in the context of overall system design, capital costs and energy consumption, including the process scheme (particularly sweep generation), feed pretreatment, system layout, and process control. This study provided targets for membrane permeation coefficients and membrane geometry in a commercial offering that would be competitive with absorption systems. A commercially-available polymer with good tensile strength and chemical resistance was selected for membrane development. A novel dope composition and spinning process were developed, which provide a new approach to controlling membrane porosity and wall and skin morphology. A hollow-fiber membrane with an external dense “skin” was produced that has a high water vapor permeation coefficient and selectivity, durability when in operation at 1000 psig and 70°C, and the ability to withstand aromatic and aliphatic hydrocarbon vapors for an extended period. The fiber meets the technical requirements for a commercial product offering in gas dehydration. It can be readily manufactured with some changes in process equipment and process conditions, and is an excellent candidate for scale-up to full-size membrane modules.

  18. Hydrotreating Pyrolytic Lignin to Produce a Refinery Feedstock (Poster)

    SciTech Connect (OSTI)

    French, R. J.

    2013-09-01

    Fast pyrolysis of biomass followed by water separation to produce pyrolytic lignin and hydrotreating of the lignin could be used to produce a stable volatile low-oxygen intermediate liquid. Such a liquid could be converted into a finished motor-fuel in a refinery, taking advantage of the existing infrastructure and economies of scale of refineries. Hydrotreating just the lignin would consume less hydrogen while preserving about half of the energy of the original oil. The aqueous by-products could be reformed to produce the needed hydrogen and would contain much of the unwanted acids and unstable oxygenates. To assess such intermediate liquids, several pyrolytic lignins were prepared by mixing pyrolysis oil with water at 1:1 and 3:1 ratios. The carboxylic acidity in the pyrolytic lignin was reduced to 24 and 10 mg-KOH/g-lignin compared to 81 in the whole oil. These lignins were hydrotreated using Ni-Mo(S)/alumina, Pt/char, or Pd/C(activated) in a semi-batch 1 L stirred autoclave. The oil was stabilized under hydrogen at 150-280 degrees C, then water and light organics were removed by partial depressurization. Hydrodeoxygenation was then performed at 340-400 degrees C. Total pressure was controlled at 70 or 170 bar with hydrogen gas. Organic liquid yields of 39-56% were obtained. For many experiments the organic oxygen content was <7%, acidity was < 7 mg-KOH/g-oil, the volatility was greater than or equal to 94% and, on a carbon basis, the total yield of organic products miscible in hydrocarbons at a 1:10 ratio was over 50%. These properties are probably acceptable to a refinery.The residual liquids left in the reactor at the end of the experiment comprised 60-85% of the organic-phase product while the rest was condensate. 13C-NMR of the residual liquids showed that they were 50-80% aliphatic. 13C-NMR coupled with GC-MS identified phenolic compounds as the main oxygenates in most residual liquids.

  19. Designer synthetic media for studying microbial-catalyzed biofuel production

    SciTech Connect (OSTI)

    Tang, Xiaoyu [Biogas Inst. of Ministry of Agriculture, Chengdu (China); da Costa Sousa, Leonardo [Michigan State Univ., East Lansing, MI (United States); Jin, Mingjie [Michigan State Univ., East Lansing, MI (United States); Chundawat, Shishir [Michigan State Univ., East Lansing, MI (United States); State Univ. of New Jersey, Piscataway, NJ (United States); Chambliss, Charles [Baylor Univ., Waco, TX (United States); Lau, Ming W [Michigan State Univ., East Lansing, MI (United States); Xiao, Zeyi [Sichuan Univ., Chengdu (China); Dale, Bruce E [Michigan State Univ., East Lansing, MI (United States); Balan, Venkatesh [Michigan State Univ., East Lansing, MI (United States)

    2015-01-01

    Background: The fermentation inhibition of yeast or bacteria by lignocellulose-derived degradation products, during hexose/pentose co-fermentation, is a major bottleneck for cost-effective lignocellulosic biorefineries. To engineer microbial strains for improved performance, it is critical to understand the mechanisms of inhibition that affect fermentative organisms in the presence of major components of a lignocellulosic hydrolysate. The development of a synthetic lignocellulosic hydrolysate (SH) media with a composition similar to the actual biomass hydrolysate will be an important advancement to facilitate these studies. In this work, we characterized the nutrients and plant-derived decomposition products present in AFEX™ pretreated corn stover hydrolysate (ACH). The SH was formulated based on the ACH composition and was further used to evaluate the inhibitory effects of various families of decomposition products during Saccharomyces cerevisiae 424A (LNH-ST) fermentation. Results: The ACH contained high levels of nitrogenous compounds, notably amides, pyrazines, and imidazoles. In contrast, a relatively low content of furans and aromatic and aliphatic acids were found in the ACH. Though most of the families of decomposition products were inhibitory to xylose fermentation, due to their abundance, the nitrogenous compounds showed the most inhibition. From these compounds, amides (products of the ammonolysis reaction) contributed the most to the reduction of the fermentation performance. However, this result is associated to a concentration effect, as the corresponding carboxylic acids (products of hydrolysis) promoted greater inhibition when present at the same molar concentration as the amides. Due to its complexity, the formulated SH did not perfectly match the fermentation profile of the actual hydrolysate, especially the growth curve. However, the SH formulation was effective for studying the inhibitory effect of various compounds on yeast fermentation. Conclusions: The formulation of SHs is an important advancement for future multi-omics studies and for better understanding the mechanisms of fermentation inhibition in lignocellulosic hydrolysates. The SH formulated in this work was instrumental for defining the most important inhibitors in the ACH. Major AFEX decomposition products are less inhibitory to yeast fermentation than the products of dilute acid or steam explosion pretreatments; thus, ACH is readily fermentable by yeast without any detoxification.

  20. Systematic analysis of protein–detergent complexes applying dynamic light scattering to optimize solutions for crystallization trials

    SciTech Connect (OSTI)

    Meyer, Arne [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany); Dierks, Karsten [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany); XtalConcepts, Marlowring 19, 22525 Hamburg (Germany); Hussein, Rana [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany); Brillet, Karl [ESBS, Pōle API, 300 Boulevard Sébastien Brant, CS10413, 67412 Illkirch CEDEX (France); Brognaro, Hevila [Sćo Paulo State University, UNESP/IBILCE, Caixa Postal 136, Sćo José do Rio Preto-SP, 15054 (Brazil); Betzel, Christian, E-mail: christian.betzel@uni-hamburg.de [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany)

    2015-01-01

    Application of in situ dynamic light scattering to solutions of protein–detergent complexes permits characterization of these complexes in samples as small as 2 µl in volume. Detergents are widely used for the isolation and solubilization of membrane proteins to support crystallization and structure determination. Detergents are amphiphilic molecules that form micelles once the characteristic critical micelle concentration (CMC) is achieved and can solubilize membrane proteins by the formation of micelles around them. The results are presented of a study of micelle formation observed by in situ dynamic light-scattering (DLS) analyses performed on selected detergent solutions using a newly designed advanced hardware device. DLS was initially applied in situ to detergent samples with a total volume of approximately 2 µl. When measured with DLS, pure detergents show a monodisperse radial distribution in water at concentrations exceeding the CMC. A series of all-transn-alkyl-?-d-maltopyranosides, from n-hexyl to n-tetradecyl, were used in the investigations. The results obtained verify that the application of DLS in situ is capable of distinguishing differences in the hydrodynamic radii of micelles formed by detergents differing in length by only a single CH{sub 2} group in their aliphatic tails. Subsequently, DLS was applied to investigate the distribution of hydrodynamic radii of membrane proteins and selected water-insoluble proteins in presence of detergent micelles. The results confirm that stable protein–detergent complexes were prepared for (i) bacteriorhodopsin and (ii) FetA in complex with a ligand as examples of transmembrane proteins. A fusion of maltose-binding protein and the Duck hepatitis B virus X protein was added to this investigation as an example of a non-membrane-associated protein with low water solubility. The increased solubility of this protein in the presence of detergent could be monitored, as well as the progress of proteolytic cleavage to separate the fusion partners. This study demonstrates the potential of in situ DLS to optimize solutions of protein–detergent complexes for crystallization applications.