WorldWideScience

Sample records for dimethyl hydrogen phosphite

  1. Reaction of dimethyl hydrogen phosphite with acecyclone

    International Nuclear Information System (INIS)

    Arbuzov, B.A.; Fuzhenkova, A.V.; Tyryshkin, N.I.

    1987-01-01

    In the presence of bases acecyclone reacts with dimethyl hydrogen phosphite with the formation of gamma-keto phosphonates with conjugated and unconjugated structures, and also an enol phosphate, a product containing a bond between oxygen of the cyclone and phosphorus. In the absence of bases, as well as the beta-keto phosphonate, gamma-keto phosphonates of cis and trans structure are formed; they are products of the 1,4 addition of dimethyl hydrogen phosphite to the conjugated fragment C=C-C=O of the cyclone. The compositions of the reaction mixture were determined by IR and NMR spectroscopy and TLC. Full-scale analysis of chemical shifts and spin-spin coupling constants was performed

  2. Reactions of dialkyl hydrogen phosphites with 2,3-diphenylindone

    International Nuclear Information System (INIS)

    Arbuzov, B.A.; Fuzhenkova, A.V.; Banderova, N.A.

    1987-01-01

    Dialkyl hydrogen phosphites are found to add to 2,3-diphenylindone at the carbonyl group with the formation of dialkyl 1-hydroxy-2,3-diphenylinden-1-yl phosphonates, which, under conditions of basic catalysis, are rearranged into diakyl 2,3-diphenylinden-1-yl phosphates, presumably as a result of phosphonate-phosphate rearrangement. Data derived by IR and NMR spectroscopy are included on the electronic and molecular structure of the resulting isomers. Electron density and spin-spin coupling constants are also determined

  3. Hydrogen bonding in cytosinium dihydrogen phosphite

    OpenAIRE

    Nourredine Benali-Cherif; Amel Messai; Erwann Jeanneau; Dominique Luneau

    2009-01-01

    In the title compound, C4H8N3O4P+·H2PO3−, the cytosine molecule is monoprotonated and the phosphoric acid is in the monoionized state. Strong hydrogen bonds, dominated by N—H...O interactions, are responsible for cohesion between the organic and inorganic layers and maintain the stability of this structure.

  4. Hydrogen bonding in cytosinium dihydrogen phosphite

    Directory of Open Access Journals (Sweden)

    Nourredine Benali-Cherif

    2009-05-01

    Full Text Available In the title compound, C4H8N3O4P+·H2PO3−, the cytosine molecule is monoprotonated and the phosphoric acid is in the monoionized state. Strong hydrogen bonds, dominated by N—H...O interactions, are responsible for cohesion between the organic and inorganic layers and maintain the stability of this structure.

  5. Reduction of Aldehydes and Ketones to Corresponding Alcohols Using Diammonium Hydrogen Phosphite and Commercial Zinc Dust

    Directory of Open Access Journals (Sweden)

    K. Anil Kumar

    2011-01-01

    Full Text Available A mild and an efficient system has been developed for the reduction of aromatic aldehydes and ketones to their corresponding alcohols in good yield using inexpensive commercial zinc dust as catalyst and diammonium hydrogen phosphite as a hydrogen donor.

  6. Application of Phosphine-Phosphite Ligands in the Iridium Catalyzed Enantioselective Hydrogenation of 2-Methylquinoline

    Directory of Open Access Journals (Sweden)

    Miguel Rubio

    2010-10-01

    Full Text Available The hydrogenation of 2-methylquinoline with Ir catalysts based on chiral phosphine-phosphites has been investigated. It has been observed that the reaction is very sensitive to the nature of the ligand. Optimization of the catalyst, allowed by the highly modular structure of these phosphine-phosphites, has improved the enantioselectivity of the reaction up to 73% ee. The influence of additives in this reaction has also been investigated. Contrary to the beneficial influence observed in related catalytic systems, iodine has a deleterious effect in the present case. Otherwise, aryl phosphoric acids produce a positive impact on catalyst activity without a decrease on enantioselectivity.

  7. Thermal, mechanical, optical and dielectric properties of piperazinium hydrogen phosphite monohydrate NLO single crystal

    Science.gov (United States)

    Rajkumar, R.; Praveen Kumar, P.

    2018-05-01

    Optical transparent crystal of piperazinium hydrogen phosphite monohydrate (PHPM) was grown by slow evaporation method. The grown crystal was characterized by single crystal X-ray diffraction analysis and the crystal belongs to monoclinic system. The functional groups present in PHPM crystal were confirmed by FTIR analysis. UV-Visible spectrum shows that the PHPM crystal is transparent in the visible region. The mechanical behavior of PHPM crystal was characterized by Vickers hardness test. Thermal stability of PHPM crystal was analyzed by thermogravimetric analysis. Dielectric studies were also carried out for the grown crystal. The third-order nonlinear parameters such as nonlinear refractive index and nonlinear absorption coefficient have been calculated using Z scan technique.

  8. Non-noble metal vanadium phosphites with broad absorption for photocatalytic hydrogen evolution

    International Nuclear Information System (INIS)

    Song, Jun-Ling; Zhang, Jian-Han; Mao, Jiang-Gao

    2016-01-01

    We reported the synthesis and crystal structures of alkali metal and alkali-earth metal phosphite, namely, CsV 2 (H 3 O)(HPO 3 ) 4 (1), and Ba 3 V 2 (HPO 3 ) 6 (2). Both compounds were prepared by hydrothermal reactions and feature unique new structures. They both exhibit 3D complicated frameworks based on VO 6 octahedra which are connected by HPO 3 tetrahedra via corner-sharing. Alkali or alkali earth metal cations are filled in the different channels of the frameworks. Topological analysis shows that the framework of CsV 2 (H 3 O) (HPO 3 ) 4 (1) is a new 3,3,3,4,5-connected network with the Schläfli symbol of {4.6 2 } 2 {4 2 .6 6 .8 2 }{6 3 }{6 5 .8}. The investigations of X-ray photoelectron spectroscopy (XPS) and magnetic measurement on CsV 2 (H 3 O)(HPO 3 ) 4 suggest a +3 oxidation state of the vanadium ions in compound 1. Photocatalytic performance was evaluated by photocatalytic H 2 evolution and degradation of methylene blue, which shows that both compounds exhibit activity under visible-light irradiation. IR spectrum, UV–vis-NIR spectrum and thermogravimetric analysis (TGA) of compounds were also investigated. - Graphical abstract: Metal vanadium phosphites with broad absorption for photocatalytic hydrogen evolution and the degradation of methylene blue aqueous solution. - Highlights: • Two new vanadium phosphites, CsV 2 (H 3 O)(HPO 3 ) 4 and Ba 3 V 2 (HPO 3 ) 6 , are reported. • CsV 2 (H 3 O)(HPO 3 ) 4 and Ba 3 V 2 (HPO 3 ) 6 feature complicated 3D framework structures with different channels. • CsV 2 (H 3 O)(HPO 3 ) 4 and Ba 3 V 2 (HPO 3 ) 6 exhibit strong and broad absorptions in the visible and Near IR region. • Photocatalytic properties of CsV 2 (H 3 O)(HPO 3 ) 4 and Ba 3 V 2 (HPO 3 ) 6 are investigated. • The magnetic measurement of CsV 2 (H 3 O)(HPO 3 ) 4 was performed in the temperature range of 2–300 K.

  9. The use of phosphite-type ligands in the Ir-catalyzed asymmetric hydrogenation of heterocyclic compounds.

    Science.gov (United States)

    Lyubimov, Sergey E; Ozolin, Dmitry V; Ivanov, Pavel Yu; Melman, Artem; Velezheva, Valeriya S; Davankov, Vadim A

    2014-01-01

    A series of chiral phosphite-type ligands was tested in asymmetric Ir-catalyzed hydrogenation of quinolines and 2,4,5,6-tetrahydro-1H-pyrazino(3,2,1-j,k)carbazole. Hydrogenation of quinaldine hydrochloride provided superior enantioselectivity up to 65% ee compared to quinaldine free base. The ligands were tested for the first time in the asymmetric Ir-Ircatalyzed hydrogenation of 2,4,5,6-tetrahydro-1H-pyrazino(3,2,1-j,k)carbazole yielding the antidepressant drug, pirlindole. © 2013 Wiley Periodicals, Inc.

  10. On uranyl phosphites

    International Nuclear Information System (INIS)

    Avduevskaya, K.A.; Ragulina, N.B.; Rozanov, I.A.; Koval', E.M.

    1978-01-01

    The medium and single-substituted uranyl phosphites of the UO 2 HPO 3 x 3H 2 O and UO 2 (H 2 PO 3 ) 2 x3H 2 O composition were separated in crystal state for the first time. The medium phosphite is fully dehydrated above H 2 SO 4 , intermediate hydrates not being formed. Waterless phosphite decomposes at the temperature above 360 deg C into the mixture of uranium and uranyl phosphates, hydrogen being liberated. The thermal decomposition of single-substituted phosphite starts at the temperature above 150 deg C and is accompanied by the full reduction of uranium up to U(4). The product of calcination is identified as cubic UP 2 O 7

  11. Study on the synthesis of dimethyl 1,4-cyclohexanedicarboxylate by catalytic hydrogenation of dimethyl terephthalate

    Directory of Open Access Journals (Sweden)

    LI Yuanhua

    2016-12-01

    Full Text Available In the field of polymer industry,1,4-cyclohexanedimethanol (CHDM occupies an important position especially for the synthesis of highly valued polyester products.In industry,CHDM is prepared from dimethyl terephthalate (DMT through a two-step hydrogenation process Palladium supported on magnesium oxide (Pd/MgO was prepared by animpregnation method and was characterized by x-ray diffraction (XRD,transmission electron microscope (TEM and scan electron microscope (SEM.During the hydrogenation of DMT to synthesize dimethyl 1,4-cyclohexanedicarboxylate (DMCD,the as-prepared Pd/MgO was used as the catalyst with methyl acetate as the solvent.Under optimized reaction conditions (reaction temperature:180 ℃,reaction pressure:4.5 MPa,the conversion of DMT was 100% and the selectivity of DMCD was 99%.Such a catalyst shows a good potential in industrial applications.

  12. Thermodynamics of Hydrogen Production from Dimethyl Ether Steam Reforming and Hydrolysis

    Energy Technology Data Exchange (ETDEWEB)

    T.A. Semelsberger

    2004-10-01

    The thermodynamic analyses of producing a hydrogen-rich fuel-cell feed from the process of dimethyl ether (DME) steam reforming were investigated as a function of steam-to-carbon ratio (0-4), temperature (100 C-600 C), pressure (1-5 atm), and product species: acetylene, ethanol, methanol, ethylene, methyl-ethyl ether, formaldehyde, formic acid, acetone, n-propanol, ethane and isopropyl alcohol. Results of the thermodynamic processing of dimethyl ether with steam indicate the complete conversion of dimethyl ether to hydrogen, carbon monoxide and carbon dioxide for temperatures greater than 200 C and steam-to-carbon ratios greater than 1.25 at atmospheric pressure (P = 1 atm). Increasing the operating pressure was observed to shift the equilibrium toward the reactants; increasing the pressure from 1 atm to 5 atm decreased the conversion of dimethyl ether from 99.5% to 76.2%. The order of thermodynamically stable products in decreasing mole fraction was methane, ethane, isopropyl alcohol, acetone, n-propanol, ethylene, ethanol, methyl-ethyl ether and methanol--formaldehyde, formic acid, and acetylene were not observed. The optimal processing conditions for dimethyl ether steam reforming occurred at a steam-to-carbon ratio of 1.5, a pressure of 1 atm, and a temperature of 200 C. Modeling the thermodynamics of dimethyl ether hydrolysis (with methanol as the only product considered), the equilibrium conversion of dimethyl ether is limited. The equilibrium conversion was observed to increase with temperature and steam-to-carbon ratio, resulting in a maximum dimethyl ether conversion of approximately 68% at a steam-to-carbon ratio of 4.5 and a processing temperature of 600 C. Thermodynamically, dimethyl ether processed with steam can produce hydrogen-rich fuel-cell feeds--with hydrogen concentrations exceeding 70%. This substantiates dimethyl ether as a viable source of hydrogen for PEM fuel cells.

  13. Synthesis and crystal structure of hydrogen phosphites RbH2PO3, CsH2PO3, and TlH2PO3

    International Nuclear Information System (INIS)

    Kosterina, E.V.; Troyanov, S.I.; Kemnits, Eh.; Aslanov, L.A.

    2001-01-01

    The crystal acid phosphites RbH 2 PO 3 , CsH 2 PO 3 and TlH 2 PO 3 were separated during reaction of Rb, Cs and Tl carbonates with phosphorous acid solution. The crystal structure of the compounds was analyzed by X-ray diffraction method at 150 K. CsH 2 PO 3 has a monoclinic system, a = 7.930(2), b = 8.929(2), c = 13.163(3) A, β = 104.84(3) Deg, V = 900.9(4) A 3 , Z 8, sp. gr. P2 1 /c, R 1 = 0.239. In the structure hydrogen bonds integrate the PHO 3 tetrahedrons in the unlimited zigzag chains [HPHO 3 ] n n- laying at the layers, which are alternate to the layers of metal cations. The layers of anion chains have a wavy form [ru

  14. Effects of dimethyl sulfoxide on the hydrogen bonding structure and ...

    Indian Academy of Sciences (India)

    School of Basic Sciences, Indian Institute of Technology, Bhubaneswar 751 013, India e-mail: .... molecules are modeled by the 4-site P2 model of Luzar and Chandler9 which ..... lifetime of hydrogen bond acceptance by carbonyl oxy-.

  15. Synthesis and some properties of hydrogen phosphites M3(H2PO3)3, where M = Ga, V, Fe, or In

    International Nuclear Information System (INIS)

    Zakharova, B.S.; Tarnopol'skij, V.A.; Chudinova, N.N.

    2001-01-01

    The conditions on production and the properties of the acid phosphites M 3 (H 2 PO 3 ) 3 (M = Ga, V, Fe, In) are demonstrated. The compounds were investigated by X-ray diffraction, thermal gravimetric analysis, IR spectroscopy and conductometry. Interaction of M 2 O 3 (M = Ga, V, Fe, In) with the melt of phosphorous acid was studied in the P : M = 1. 5 : 1 - 10 : 1 interval of compositions. The lattice parameters are given, the hypothesis on the available of superstructure in the M 3 (H 2 PO 3 ) 3 compounds is corroborated. From the measurements the proton conductivity in vanadium and indium phosphites is comprised of 2.5 x 10 -5 and 1.9 x 10 8- S/cm correspondingly. Acid vanadium and indium phosphites are behaved similarly during heating. The limit of thermal stability of the acid phosphites V(H 2 PO 3 ) 3 , V(H 2 PO 3 ) 3 grows [ru

  16. Mesoporous aluminum phosphite

    International Nuclear Information System (INIS)

    El Haskouri, Jamal; Perez-Cabero, Monica; Guillem, Carmen; Latorre, Julio; Beltran, Aurelio; Beltran, Daniel; Amoros, Pedro

    2009-01-01

    High surface area pure mesoporous aluminum-phosphorus oxide-based derivatives have been synthesized through an S + I - surfactant-assisted cooperative mechanism by means of a one-pot preparative procedure from aqueous solution and starting from aluminum atrane complexes and phosphoric and/or phosphorous acids. A soft chemical extraction procedure allows opening the pore system of the parent as-prepared materials by exchanging the surfactant without mesostructure collapse. The nature of the pore wall can be modulated from mesoporous aluminum phosphate (ALPO) up to total incorporation of phosphite entities (mesoporous aluminum phosphite), which results in a gradual evolution of the acidic properties of the final materials. While phosphate groups in ALPO act as network building blocks (bridging Al atoms), the phosphite entities become basically attached to the pore surface, what gives practically empty channels. The mesoporous nature of the final materials is confirmed by X-ray diffraction (XRD), transmission electron microscopy (TEM) and N 2 adsorption-desorption isotherms. The materials present regular unimodal pore systems whose order decreases as the phosphite content increases. NMR spectroscopic results confirm the incorporation of oxo-phosphorus entities to the framework of these materials and also provide us useful information concerning the mechanism through which they are formed. - Abstract: TEM image of the mesoporous aluminum phosphite showing the hexagonal disordered pore array that is generated by using surfactant micelles as template. Also a scheme emphasizing the presence of an alumina-rich core and an ALPO-like pore surface is presented.

  17. Exploring between the extremes: conversion-dependent kinetics of phosphite-modified hydroformylation catalysis.

    Science.gov (United States)

    Kubis, Christoph; Selent, Detlef; Sawall, Mathias; Ludwig, Ralf; Neymeyr, Klaus; Baumann, Wolfgang; Franke, Robert; Börner, Armin

    2012-07-09

    The kinetics of the hydroformylation of 3,3-dimethyl-1-butene with a rhodium monophosphite catalyst has been studied in detail. Time-dependent concentration profiles covering the entire olefin conversion range were derived from in situ high-pressure FTIR spectroscopic data for both, pure organic components and catalytic intermediates. These profiles fit to Michaelis-Menten-type kinetics with competitive and uncompetitive side reactions involved. The characteristics found for the influence of the hydrogen concentration verify that the pre-equilibrium towards the catalyst substrate complex is not established. It has been proven experimentally that the hydrogenolysis of the intermediate acyl complex remains rate limiting even at high conversions when the rhodium hydride is the predominant resting state and the reaction is nearly of first order with respect to the olefin. Results from in situ FTIR and high-pressure (HP) NMR spectroscopy and from DFT calculations support the coordination of only one phosphite ligand in the dominating intermediates and a preferred axial position of the phosphite in the electronically saturated, trigonal bipyramidal (tbp)-structured acyl rhodium complex. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. The acidic phosphite of lanthanum monohydrate

    International Nuclear Information System (INIS)

    Tijani, N.; Durand, J.; Cot, L.

    1988-01-01

    La(HPO 3 H) 3 .H 2 O, M r =399.81, triclinic, Panti 1, a=8.054 (2), b=9.672 (3), c=7.224 (2) A, V=458.15 A 3 , α=111.35 (2), β=75.77 (2), γ=118.66 (2) 0 , Z=2, D m =2.88 (1), D x =2.906 Mg m -3 , λ(MoKα)=0.71069 A, μ(MoKα)=7.14 mm -1 , F(000)=380, T=293 K, R=0.038 for 868 independent reflexions. The structure consists of three phosphite anions connected by a strong hydrogen bond. The La 3+ cation is coordinated by seven O atoms of phosphite anions and one O atom of the water molecule. (orig.)

  19. Synthesis of vinyl phosphites

    International Nuclear Information System (INIS)

    Kabachnik, M.M.; Novikova, Z.S.; Neganova, E.G.; Lutsenko, I.F.

    1986-01-01

    The authors investigated the reactions of phosphoriodidites and phosphinous iodides with a number of aldehydes and ketones in presence of tertiary amines (triethylamine, pyridine, N,N-diethylaniline), and they have shown that as a result of the reactions the corresponding vinyl esters of phosphorus acids are formed. The reactions of phosphoriodidites (and phosphorodiamidous iodides) with aliphatic aldehydes (acetaldehyde, propionaldehyde, butyraldehyde, and isobutyraldehyde) go at a molar reactant ratio of 1:1 in either at room temperature and are practically complete in 5-6 h. The yields of the alkenyl phosphites (phosphorodiamidites) were 45-70%. The compositions and structures of the compounds obtained were confirmed by elemental analysis and the IR and 1 H and 31 P NMR spectra

  20. Thermodynamic analysis on the CO2 conversion processes of methane dry reforming for hydrogen production and CO2 hydrogenation to dimethyl ether

    Science.gov (United States)

    He, Xinyi; Liu, Liping

    2017-12-01

    Based on the principle of Gibbs free energy minimization, the thermodynamic analysis on the CO2 conversion processes of dry reforming of methane for H2 and CO2 hydrogenation to dimethyl ether was carried out. The composition of the reaction system was determined on the basis of reaction mechanism. The effects of reaction temperature, pressure and raw material composition on the equilibrium conversion and the selectivity of products were analyzed. The results show that high temperature, low pressure, CO2/CH4 molar ratio of 1.0-1.5 and appropriate amount of oxygen are beneficial to the dry reforming of methane. For CO2 hydrogenation to dimethyl ether, low temperature, high pressure, the appropriate H2/CO2 and the proper CO addition in feed are favorable. The calculated results are compared with the relevant studies, indicating that industrial catalytic technology needs further improvement.

  1. Study of uranium(4) phosphites

    International Nuclear Information System (INIS)

    Avduevskaya, K.A.; Rozanov, I.A.; Mironova, V.S.

    1977-01-01

    Neutral and monosubstituted uranium phosphites U(HPO 3 ) 2 x2H 2 O and U(H 2 PO 3 ) 4 x2H 2 O and pyrophosphite U(H 2 P 2 O 5 ) 2 have been separated and identified. Thermal stability of the sepaated compounds have been studied. Upon heating U(HPO 3 )x2H 2 O up to 120-190 deg C, hydrate water is removed. The final product obtained on heating up to 900 deg C is identified as UP 2 O 7 . In the case of U(H 2 PO 3 ) 4 x2H 2 O, crystallization water is removed stepwise within the ranges of 60-140 deg C and 160-270 deg C. Complete removal of water yields a compound of U(H 2 P 2 O 5 ). It has been established that uranium phosphites are isomorphous to the corresponding thorium phosphites

  2. Synthesis and structures of two isostructural phosphites, Al2(HPO3)3 and Ga2(HPO3)3

    International Nuclear Information System (INIS)

    Morris, R.E.; Attfield, M.P.; Cheetham, A.K.

    1994-01-01

    Aluminium hydrogen phosphite, Al 2 (HPO 3 ) 3 , and gallium hydrogen phosphite, Ga 2 (HPO 3 ) 3 , were prepared hydrothermally in Teflon-lined steel autoclaves at 473 K. The compounds are isostructural with Fe 2 (HPO 3 ) 3 . The structures consist of very distorted MO 6 octahedra which share faces to form a dimeric M 2 O 9 unit. These dimers are interlinked by the phosphite groups, which link three different dimers into a three-dimensional arrangement having small proton-lined channels running parallel to the c axis. (orig.)

  3. Dipotassium cobalt(II) bis(hydrogen-phosphite) dihydrate, K.sub.2./sub.Co(HPO.sub.3./sub.).sub.2./sub..2H.sub.2./sub.O

    Czech Academy of Sciences Publication Activity Database

    Ouarsal, R.; Essehli, R.; Lachkar, M.; Zenkouar, M.; Dušek, Michal; Fejfarová, Karla; El Bali, B.

    2004-01-01

    Roč. 60, - (2004), i66-i68 ISSN 1600-5368 Institutional research plan: CEZ:AV0Z1010914 Keywords : crystal structure * phosphites Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.491, year: 2004

  4. Study of the EPR and Moessbauer spectra of iron phosphites

    International Nuclear Information System (INIS)

    Ebert, M.; Kavan, L.

    1978-01-01

    The EPR and Moessbauer spectra of polycrystalline samples of ferrous phosphites FeHPO 3 .3H 2 O, FeH 2 P 2 O 5 , FeH 4 P 2 O 6 .1/2H 2 O, FeH 10 P 4 O 12 .4H 2 O and ferric phosphites Fe 2 (HPO 3 ) 3 .9h 2 O, FeH 3 P 2 O 6 .3H 2 O and Fe 4 H 33 P 15 O 45 .6H 2 O were studied. The hydrogen bonds present in hydrogen phosphite anions (polyorthophosphites) produce a decrease in the electron density on the oxygen atom in the anion and thus also a decrease in the crystal field strength with an increasing P/Fe ratio. These changes are reflected not only in the Dq values but also in the g-factors, Moessbauer isomeric shifts and quadropole splitting values. The Moessbauer spectra were measured at laboratory temperature with a Co-57/Pd source (the time for measuring one sample was about 24 hrs) and evaluated on a Hewlett-Packard computer. The EPR spectra of the polycristalline samples were measured at laboratory temperature in the 3 cm region. (T.I.)

  5. Versatile phosphite ligands based on silsesquioxane backbones

    NARCIS (Netherlands)

    van der Vlugt, JI; Ackerstaff, J; Dijkstra, TW; Mills, AM; Kooijman, H; Spek, AL; Meetsma, A; Abbenhuis, HCL; Vogt, D

    Silsesquioxanes are employed as ligand backbones for the synthesis of novel phosphite compounds with 3,3'-5,5'-tetrakis(tert-butyl)-2,2'-di-oxa-1,1'-biphenyl substituents. Both mono- and bidentate phosphites are prepared in good yields. Two types of silsesquioxanes are employed as starting

  6. Eight-term cyclic phosphites as coke deposit inhibitors and a method for producing them

    Energy Technology Data Exchange (ETDEWEB)

    Vershinin, P.V.; Chebotareva, E.G.; Kadyrova, V.Kh.; Kirpichnikov, P.A.; Pozdnev, V.V.; Vershinin, Yu.P.; Zharkova, V.M.

    1982-01-01

    It is proposed that a eight-term cyclic phosphite formula be used where R = methyl, R' = tertiary-butyl or alpha-methylcyclohexyl, R'' = tertiary-butyl, R''' = hydrogen, methyl, tertiary-butyle, bromine, X = methylene and sulfur as coke deposit inhibitors in the pyrolysis of petroleum raw materials. A method for producing the eight-term cyclic phosphite formula is proposed where a cyclic chlorophosphite formula interacts with a phenol formula in a medium of polar aprotic solvent using a base at 80-100 degrees.

  7. Investigation of uranyl phosphite interaction with some amides

    International Nuclear Information System (INIS)

    Avduevskaya, K.A.; Ragulina, N.B.; Rozanov, I.A.; Mukhajlov, Yu.N.; Kanishcheva, A.S.; Grevtseva, T.G.

    1981-01-01

    Uranyl (amide) phosphitocomplexes of [UO 2 HPO 3 H 2 OAA]xH 2 O, [UO 2 HPO 3 (AA) 2 ], [UO 2 HPO 3 H 2 O DMC], [UO 2 HPO 3 H 2 ODMFA], [UO 2 HPO 3 DAMA] and UO 2 HPO 3 x2FAxH 2 O compositions, where AA-acetamide; DMC-N, N-dimetyl carbamide, DMFA-dimetyl formamide; DAMA-diamide of malonic acid; FA-formamide, are separated, identified and investigated. Derivatives of mono substituted uranyl phosphite of UO 2 (H 2 PO 3 ) 2 x2FA and [UO 2 (H 2 PO 3 ) 2 H 2 O]x2TMC composition (where TMC-tetramethyl carbamide), are synthesized. Structures of complexes with DAMA, TMC, DMFA and acid dimethyl-ammonium diphosphitouranylate-(CH 3 ] 2 NH 2 x[UO 2 (HPO 3 ) 3 (H 2 PO 3 )] are investigated [ru

  8. Desulfotignum phosphitoxidans sp. nov., a new marine sulfate reducer that oxidizes phosphite to phosphate.

    Science.gov (United States)

    Schink, Bernhard; Thiemann, Volker; Laue, Heike; Friedrich, Michael W

    2002-05-01

    A new sulfate-reducing bacterium was isolated from marine sediment with phosphite as sole electron donor and CO(2) as the only carbon source. Strain FiPS-3 grew slowly, with doubling times of 3-4 days, and oxidized phosphite, hydrogen, formate, acetate, fumarate, pyruvate, glycine, glutamate, and other substrates nearly completely, with concomitant reduction of sulfate to sulfide. Acetate was formed as a side product to a small extent. Glucose, arabinose, and proline were partly oxidized and partly fermented to acetate plus propionate. Growth with phosphite, hydrogen, or formate was autotrophic. Also, in the presence of sulfate, CO dehydrogenase was present, and added acetate did not increase growth rates or growth yields. In the absence of sulfate, phosphite oxidation was coupled to homoacetogenic acetate formation, with growth yields similar to those in the presence of sulfate. Cells were small rods, 0.6 - 0.8 x 2-4 microm in size, and gram-negative, with a G+C content of 53.9 mol%. They contained desulforubidin, but no desulfoviridin. Based on sequence analysis of the 16S rRNA gene and the sulfite reductase genes dsrAB, strain FiPS-3 was found to be closely related to Desulfotignum balticum. However, physiological properties differed in many points from those of D. balticum. These findings justify the establishment of a new species, Desulfotignum phosphitoxidans.

  9. Adsorption of neptunium and plutonium on metal phosphites

    International Nuclear Information System (INIS)

    Silver, G.L.

    1979-01-01

    The removal of neptunium and plutonium from water by adsorption on titanium, zirconium, bismuth, thorium, and uranium phosphites was investigated. These phosphites hydrolyze in neutral or alkaline solution producing the hydrous metal oxides that are more effective adsorbents than the original phosphite compounds. Ageing the plutonium-238 polymer changes its adsorption characteristics on commercial bone char. 37 figures, 7 tables

  10. Chiral phosphites as ligands in asymmetric metal complex catalysis and synthesis of coordination compounds

    International Nuclear Information System (INIS)

    Gavrilov, Konstantin N; Bondarev, Oleg G; Polosukhin, Aleksei I

    2004-01-01

    The data published during the last five years on the application of chiral derivatives of phosphorous acid in coordination chemistry and enantioselective catalysis are summarised and discussed. The effect of the nature of these ligands on the structure of metal complexes and on the efficiency of catalytic organic syntheses is shown. Hydroformylation, hydrogenation, allylic substitution and conjugate addition catalysed by transition metal complexes with optically active phosphites and hydrophosphoranes are considered. The prospects for the development of this field of research are demonstrated.

  11. Photoelectron spectroscopy of phosphites and phosphates

    Energy Technology Data Exchange (ETDEWEB)

    Chattopadhyay, S.; Findley, G.L.; McGlynn, S.P.

    1981-01-01

    The ultraviolet photoelectron spectra (UPS) of trimethyl and triethyl phosphite, trimethyl and triethyl phosphate and four substituted phosphates are presented. Assignments are based on analogies to the UPS of phosphorus trichloride and phosphoryl trichloride and are substantiated by CNDO/2 computations. The mechanisms of P-O (axial) bond formation is discussed.

  12. Effect of Copper Nanoparticles Dispersion on Catalytic Performance of Cu/SiO2 Catalyst for Hydrogenation of Dimethyl Oxalate to Ethylene Glycol

    Directory of Open Access Journals (Sweden)

    Yajing Zhang

    2013-01-01

    Full Text Available Cu/SiO2 catalysts, for the synthesis of ethylene glycol (EG from hydrogenation of dimethyl oxalate (DMO, were prepared by ammonia-evaporation and sol-gel methods, respectively. The structure, size of copper nanoparticles, copper dispersion, and the surface chemical states were investigated by X-ray diffraction (XRD, transmission electron microscopy (TEM, temperature-programmed reduction (TPR, and X-ray photoelectron spectroscopy (XPS and N2 adsorption. It is found the structures and catalytic performances of the catalysts were highly affected by the preparation method. The catalyst prepared by sol-gel method had smaller average size of copper nanoparticles (about 3-4 nm, better copper dispersion, higher Cu+/C0 ratio and larger BET surface area, and higher DMO conversion and EG selectivity under the optimized reaction conditions.

  13. Synthesis, structure and characterization of two new open-framework gallium phosphite-oxalates of varying dimensionality

    International Nuclear Information System (INIS)

    Li, Caixia; Huang, Liangliang; Zhou, Mingdong; Xia, Jing; Ma, Hongwei; Zang, Shuliang; Wang, Li

    2013-01-01

    Using N, N-dimethyl-piperazine as structure directing agent, two new gallium phosphite-oxalates [Ga 2 (HPO 3 ) 2 (H 2 PO 3 ) 2 (C 2 O 4 )](C 6 N 2 H 16 ) (I) and [Ga 2 (HPO 3 ) 2 (H 2 PO 3 )(C 2 O 4 )](C 6 N 2 H 16 ) 0.5 (II) have been synthesized under solvothermal and hydrothermal conditions, respectively and further characterized by powder X-ray diffraction, IR spectroscopy, TGA, ICP-AES and elemental analyses. Single crystal X-ray diffraction reveals that the striking feature of I and II is that they possess the same second building unit (SBU) Ga 2 P 2 constructed from two GaO 6 octahedra and two [HPO 3 2− ] pseudo-pyramids sharing oxygen atoms. However, due to the different connecting fashions of SBUs, [C 2 O 4 2− ] groups and [H 2 PO 3 − ] pseudo-pyramids, the final frameworks of them are distinctly different. Compound I shows 2D layered structures with 8-membered ring (8-MR) windows in the ab plane while compound II presents a 3D open-framework with 8-MR channels along the b axis. - Graphical abstract: Using N, N-dimethyl-piperazine as structure directing agent, two new gallium phosphite-oxalates I showing 2D layered structure and II presenting 3D open-framework have been synthesized under solvothermal and hydrothermal conditions, respectively. - Highlights: • Using N, N-dimethyl-piperazine as structure directing agent, two new gallium phosphite-oxalates have been synthesized under solvothermal and hydrothermal conditions, respectively. • The same second building unit (SBU) is displayed in both compounds. • Compound I shows 2D layered structure with 8-MR windows while compound II presents 3D open-framework with 8-MR channels. • The solvent plays an important role on the formation of microporous compounds

  14. Preparation of HZSM-5 membrane packed CuO–ZnO–Al{sub 2}O{sub 3} nanoparticles for catalysing carbon dioxide hydrogenation to dimethyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Rong; Tian, Haifeng; Yang, Aimei; Zha, Fei, E-mail: zhafei@nwnu.edu.cn; Ding, Jian; Chang, Yue

    2015-08-01

    Highlights: • CuO–ZnO–Al{sub 2}O{sub 3} composite nanoparticles were successfully prepared using carbon sphere as template. • HZSM-5@CuO–ZnO–Al{sub 2}O{sub 3} capsule catalyst was prepared hydrothermally. • Zeolite capsule catalysts exhibited an extremely good selectivity for DME compared with the conventional hybrid catalyst. - Abstract: Spherical carbons were prepared successfully from aqueous glucose using hydrothermal method. After covered with aqueous Cu{sup 2+}, Zn{sup 2+} and Al{sup 3+} ions during the co-precipitation treatment, carbons were removed via calcination to yield CuO–ZnO–Al{sub 2}O{sub 3} nanoparticles. HZSM-5 membrane, which was synthesized using tetrapropylammonium hydroxide as templating agent, was packed onto CuO–ZnO–Al{sub 2}O{sub 3} nanoparticles hydrothermally to form HZSM-5 packed CuO–ZnO–Al{sub 2}O{sub 3} nanoparticles. It was characterized by the method of X-ray powder diffraction (XRD), scanning electronic microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), and nitrogen sorption measurement. HZSM-5 packed CuO–ZnO–Al{sub 2}O{sub 3} nanoparticles were used as catalysts for the CO{sub 2} hydrogenation to dimethyl ether. The catalyst activity was investigated in a fixed-bed reactor. Under the reaction conditions of pressure at 3.0 MPa, space velocity (SV) of 1800 mL g{sub cat}{sup −1} h{sup −1}, volume ratio of CO{sub 2}/H{sub 2} to 1:3 and temperature at 270 °C, the conversion of CO{sub 2} could reach to 48.3%, with a dimethyl ether yield and selectivity of 23.4% and 48.5%, respectively.

  15. On the transferability of atomic contributions to the optical rotatory power of hydrogen peroxide, methyl hydroperoxide and dimethyl peroxide

    DEFF Research Database (Denmark)

    Sánchez, Marina; Alkorta, Ibon; Elguero, José

    2014-01-01

    for the hydrogen, oxygen and carbon atoms as well as for the methyl group at the level of time-dependent density functional theory with the B3LYP exchange-correlation functional employing a large Gaussian basis set. We find that the atomic or group contributions are not transferable among these three molecules....

  16. [Determination of di (hydrogenated tallow alkyl) dimethyl ammonium compounds in textile auxiliaries by ultra-high performance liquid chromatography-tandem mass spectrometry].

    Science.gov (United States)

    Zhu, Feng

    2015-01-01

    A method has been developed for the determination of di (hydrogenated tallow alkyl) dimethyl ammonium compounds (DHTDMAC) in textile auxiliaries by ultra-high performance liquid chromatography-tandem mass spectrometry. (UPLC-MS/MS). The samples were extracted and diluted with acidified methanol by 5% (v/v) formic acid under ultrasonic assistance. The separation was performed on an Eclipse Plus C18 column (50 mm x 2.1 mm, 1.8 microm) using 0.1% (v/v) formic acid solution and methanol as the mobile phases. Identification and quantification were achieved by UPLC-MS/MS with electrospray ionization (ESI) source in positive ion mode and multiple reaction monitoring (MRM) mode. The results indicated that the calibration curve of DHTDMAC showed good linear relationship between peak area and mass concentration in the range of 10-280 microg/L with the correlation coefficient (r2) of 0.9991. The limit of detection (LOD, S/N=3) and the limit of quantification (LOQ, S/N= 10) of this method were 3 mg/kg and 10 mg/kg, respectively. The average recoveries from three typical textile auxiliary matrices including dispersant, antistatic agent and fabric softener, at three spiked levels were in the range of 97.2%-108.3% with the relative standard deviations (RSDs) of 1.5%-4.6%. The method is sensitive, accurate, simple and effective for the analysis of DHTDMAC in textile auxiliaries.

  17. Solid-state actinide acid phosphites from phosphorous acid melts

    International Nuclear Information System (INIS)

    Oh, George N.; Burns, Peter C.

    2014-01-01

    The reaction of UO 3 and H 3 PO 3 at 100 °C and subsequent reaction with dimethylformamide (DMF) produces crystals of the compound (NH 2 (CH 3 ) 2 )[UO 2 (HPO 2 OH)(HPO 3 )]. This compound crystallizes in space group P2 1 /n and consists of layers of uranyl pentagonal bipyramids that share equatorial vertices with phosphite units, separated by dimethylammonium. In contrast, the reaction of phosphorous acid and actinide oxides at 210 °C produces a viscous syrup. Subsequent dilution in solvents and use of standard solution-state methods results in the crystallization of two polymorphs of the actinide acid phosphites An(HPO 2 OH) 4 (An=U, Th) and of the mixed acid phosphite–phosphite U(HPO 3 )(HPO 2 OH) 2 (H 2 O)·2(H 2 O). α- and β-An(HPO 2 OH) 4 crystallize in space groups C2/c and P2 1 /n, respectively, and comprise a three-dimensional network of An 4+ cations in square antiprismatic coordination corner-sharing with protonated phosphite units, whereas U(HPO 3 )(HPO 2 OH) 2 (H 2 O) 2 ·(H 2 O) crystallizes in a layered structure in space group Pbca that is composed of An 4+ cations in square antiprismatic coordination corner-sharing with protonated phosphites and water ligands. We discuss our findings in using solid inorganic reagents to produce a solution-workable precursor from which solid-state compounds can be crystallized. - Graphical abstract: Reaction of UO 3 and H 3 PO 3 at 100 °C and subsequent reaction with DMF produces crystals of (NH 2 (CH 3 ) 2 )[UO 2 (HPO 2 OH)(HPO 3 )] with a layered structure. Reaction of phosphorous acid and actinide oxides at 210 °C produces a viscous syrup and further solution-state reactions result in the crystallization of the actinide acid phosphites An(HPO 2 OH) 4 (An=U, Th), with a three-dimensional network structure, and the mixed acid phosphite–phosphite U(HPO 3 )(HPO 2 OH) 2 (H 2 O) 2 ·(H 2 O) with a layered structure. - Highlights: • U(VI), U(IV) and Th(IV) phosphites were synthesized by solution

  18. Degradation behaviour of potassium K-phosphite in apple trees

    OpenAIRE

    Kelderer, Markus; Matteazzi, Aldo; Casera, Claudio

    2008-01-01

    Although potassium phosphite is not registered for organic fruit production in Europe, it has long been regarded as a potential alternative to sulphur- and copper-containing fungicides. In 2005/2006 a field trial was carried out to verify the presence of residues of phosphoric acid over time in apples after applications of potassium phosphite at different time-points. No residues were present on fruits if treatments were applied before flowering, whereas treatments after flower...

  19. Crystal structure, vibrational and DFT simulation studies of melaminium dihydrogen phosphite monohydrate

    Science.gov (United States)

    Arjunan, V.; Kalaivani, M.; Marchewka, M. K.; Mohan, S.

    2013-08-01

    The crystal structure investigations of melamine with phosphorous acid, namely melaminium dihydrogenphosphite monohydrate (C3N6H7·H2PO3·H2O) have been investigated by means of single crystal X-ray diffraction method. The title compound crystallizes in monoclinic crystal system, and the space group is P21/c with a = 10.069 Å, b = 21.592 Å, c = 12.409 Å and Z = 12. The vibrational assignments and analysis of melaminium dihydrogen phosphite monohydrate have also been performed by FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical simulations were performed with DFT (B3LYP) method using 6-31G**, cc-pVTZ, and 6-311++G** basis sets to determine the energy, structural, thermodynamic parameters and vibrational frequencies of melaminium dihydrogen phosphite monohydrate. The hydrogen atom from phosphorous acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak Osbnd H···O and Nsbnd H···O hydrogen bonds shows notable vibrational effects.

  20. Studies on curing effect of phosphite monomer by EB radiation in the air

    International Nuclear Information System (INIS)

    Xiao, B.; Zhou, Y.; Li, S.; Luo, M.; Wang, X.; Zhao, P.

    2000-01-01

    A new type phosphite active monomer was synthesized. The resisting oxygen inhibition effect of this monomer and the effects of irradiation dose and concentration of phosphite active monomer on curing were studied. At the same time, curing results were analysed, through gel content and IR spectrum. The excellent resisting oxygen inhibition result of this phosphite active monomer was shown by experiments. EB radiation curing in the air was successfully carried out by the phosphite active monomer. (author)

  1. Crystal Structure and Hydrogen Bonding Study of (10E-2,2-Dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione 10-Oxime Derived From a-Lapachone

    Directory of Open Access Journals (Sweden)

    Lorenzo C. Visentin

    2011-01-01

    Full Text Available The compound (10E-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione-10-oxime (1 was synthesized from a-lapachone and hydroxylamine chloride in alkaline medium. Single-crystals suitable for X-ray diffraction measurements were grown from an ethanol solution, and the crystal structure of the title molecule is reported for the first time. The title molecule was also characterized by 1H- and 13C-NMR in CDCl3 solution, FTIR and MS. The crystal structure of 1 shows an E stereochemistry and dimers formed through classical hydrogen bonds.

  2. Synthesis, crystal structures and properties of lead phosphite compounds

    International Nuclear Information System (INIS)

    Song, Jun-Ling; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao

    2015-01-01

    Here, we report the preparation and characterization of two lead(II) phosphites, namely, Pb_2(HPO_3)_2 and Pb_2(HPO_3)(NO_3)_2 through hydrothermal reaction or simple solution synthesis, respectively. A new lead phosphite, namely, Pb_2(HPO_3)_2, crystallizes in the noncentrosymmetric space group Cmc2_1 (no. 36), which features 3D framework formed by the interconnection of 2D layer of lead(II) phosphites and 1D chain of [Pb(HPO_3)_5]_∞. The nonlinear optical properties of Pb_2(HPO_3)(NO_3)_2 have been studied for the first time. The synergistic effect of the stereo-active lone-pairs on Pb"2"+ cations and π-conjugated NO_3 units in Pb_2(HPO_3)(NO_3)_2 produces a moderate second harmonic generation (SHG) response of ∼1.8×KDP (KH_2PO_4), which is phase matchable (type I). IR, UV–vis spectra and thermogravimetric analysis (TGA) for the two compounds were also measured. - Graphical abstract: Two lead phosphites Pb_2(HPO_3)_2 and Pb_2(HPO_3)(NO_3)_2 are studied. A new lead phosphite Pb_2(HPO_3)_2 features a unique 3D framework structure and Pb_2(HPO_3)(NO_3)_2 shows a moderate SHG response of ∼1.8×KDP (KH_2PO_4). - Highlights: • A new lead phosphite, Pb_2(HPO_3)_2 is reported. • Pb_2(HPO_3)_2 features a unique 3D framework structure. • NLO property of Pb_2(HPO_3)(NO_3)_2 is investigated. • Pb_2(HPO_3)(NO_3)_2 produces a moderate SHG response of ∼1.8×KDP (KH_2PO_4).

  3. Identification and Heterologous Expression of Genes Involved in Anaerobic Dissimilatory Phosphite Oxidation by Desulfotignum phosphitoxidans▿

    Science.gov (United States)

    Simeonova, Diliana Dancheva; Wilson, Marlena Marie; Metcalf, William W.; Schink, Bernhard

    2010-01-01

    Desulfotignum phosphitoxidans is a strictly anaerobic, Gram-negative bacterium that utilizes phosphite as the sole electron source for homoacetogenic CO2 reduction or sulfate reduction. A genomic library of D. phosphitoxidans, constructed using the fosmid vector pJK050, was screened for clones harboring the genes involved in phosphite oxidation via PCR using primers developed based on the amino acid sequences of phosphite-induced proteins. Sequence analysis of two positive clones revealed a putative operon of seven genes predicted to be involved in phosphite oxidation. Four of these genes (ptxD-ptdFCG) were cloned and heterologously expressed in Desulfotignum balticum, a related strain that cannot use phosphite as either an electron donor or as a phosphorus source. The ptxD-ptdFCG gene cluster was sufficient to confer phosphite uptake and oxidation ability to the D. balticum host strain but did not allow use of phosphite as an electron donor for chemolithotrophic growth. Phosphite oxidation activity was measured in cell extracts of D. balticum transconjugants, suggesting that all genes required for phosphite oxidation were cloned. Genes of the phosphite gene cluster were assigned putative functions on the basis of sequence analysis and enzyme assays. PMID:20622064

  4. Identification and heterologous expression of genes involved in anaerobic dissimilatory phosphite oxidation by Desulfotignum phosphitoxidans.

    Science.gov (United States)

    Simeonova, Diliana Dancheva; Wilson, Marlena Marie; Metcalf, William W; Schink, Bernhard

    2010-10-01

    Desulfotignum phosphitoxidans is a strictly anaerobic, Gram-negative bacterium that utilizes phosphite as the sole electron source for homoacetogenic CO2 reduction or sulfate reduction. A genomic library of D. phosphitoxidans, constructed using the fosmid vector pJK050, was screened for clones harboring the genes involved in phosphite oxidation via PCR using primers developed based on the amino acid sequences of phosphite-induced proteins. Sequence analysis of two positive clones revealed a putative operon of seven genes predicted to be involved in phosphite oxidation. Four of these genes (ptxD-ptdFCG) were cloned and heterologously expressed in Desulfotignum balticum, a related strain that cannot use phosphite as either an electron donor or as a phosphorus source. The ptxD-ptdFCG gene cluster was sufficient to confer phosphite uptake and oxidation ability to the D. balticum host strain but did not allow use of phosphite as an electron donor for chemolithotrophic growth. Phosphite oxidation activity was measured in cell extracts of D. balticum transconjugants, suggesting that all genes required for phosphite oxidation were cloned. Genes of the phosphite gene cluster were assigned putative functions on the basis of sequence analysis and enzyme assays.

  5. Dinuclear ditertiary phosphite derivatives of rhodium

    International Nuclear Information System (INIS)

    Meintjies, E.

    1981-08-01

    The overall objective of the research described in this thesis was the design, synthesis, characterization and chemistry of dinuclear complexes of rhodium in which the metal atoms are held in close proximity to each other. Complexes of this nature are of considerable interest owing, in part, to their potential as models for multicentred metal catalysts, as well as to the highly novel and unusual chemistry already discovered for a number of them. A survey of dinuclear complexes of rhodium containing carbonyl and group V donor ligands has been presented as a background introduction to the research reported in this thesis. The coordination behaviour of the diphosphazane ligands, (RO) 2 PN(R')P(OR) 2 (R=Ph or Me, R' = Et; R = Et or Pr/i, R' = Me), and the ditertiary phosphite ligand, (EtO) 2 POP(OEt) 2 , towards certain rhodium precursors has been investigated. A number of highly unusual neutral dinuclear complexes of rhodium, in which these ligands bridge-bond the two rhodium atoms, have been synthesized. Two types of monocarbonyl decarbonylation products are observed for compounds of the type, [Rh 2 Cl 2 (CO) 2 (μ-diphosphazane) 2 ]. 1 H and 31 P[ 1 H] n.m.r. spectral studies have been carried out with the object of establishing the nature of the bridging halogen ligands in the tricarbonyl species. Asymetric zerovalent dinuclear species of the type, [Rh 2 (CO) 3 -[μ-(RO) 2 PN(R')P(OR) 2 ] 2 ] (R = Ph or Me, R' = Et; R = Pr/i, R' = Me), are obtained. A single crystal X-ray analysis has been carried out. Homoleptic cationic species are obtained by reaction of the alkoxydiphosphazane ligands with [Rh(C 8 H 12 )(solvent)(n)] + under the appropriate reaction conditions. The solution and solid-state infrared spectra and the 31 P[ 1 H] n.m.r. spectra of all new compounds synthesized in this study are discussed in terms of possible structures for these compounds. Where appropriate, the n.m.r. spectral data are also discussed in terms of fluxional behaviour

  6. Neutron diffraction study of crystal structures of deuterated glycinium phosphite in paraelectric and ferroelectric phases

    International Nuclear Information System (INIS)

    Machida, Mitsuo; Uchida, Hiroyuki; Ishibashi, Toku; Taniguchi, Hiroki; Komukae, Masaru; Osaka, Toshio; Koyano, Nobumitsu

    2004-01-01

    Crystal structure of deuterated glycinium phosphite was studied in the paraelectric (P) phase at 348 K and in the ferroelectric (F) phase at 223 K by means of the single crystal neutron diffraction. Deuteration rate is estimated to be 0.939 by the least-squares refinement. In the P phase, quasi-one-dimensional hydrogen bond chains are built by mutually linking the DPO 3 2- anions through two different types of hydrogen bonds with the bond angles of 179.2 and 171.6deg. Two independent deuterons within the hydrogen bonds forming the chains are disordered over two sites separated by 0.545 and 0.539A. In the F phase, they order at a position nearly equal to one of two sites related by the disorder in the P phase. With the ordering of the deuterons, the P-O bonds with covalently bonded deuteron elongate, and those without covalently bonded deuteron reduce their lengths to some extend from the values determined in the P phase. Two oxygens involved in the hydrogen bond with the bond angle 179.2deg exhibits especially large displacements in the F phase. This suggests strongly an importance of this hydrogen bond in the polarization appearance and in the ferroelectric transition. Comparison with results of non-deuterated salt indicates that only the hydrogen bonds forming the chains show significant isotope shift. In particular, the hydrogen bond with the bond angle 179.2deg exhibits the most pronounced shift on the angle parameter defined by the angle between the line connecting two sites of disordered proton or deuteron and the line connecting two oxygens involved in the hydrogen bond. (author)

  7. Vinylene carbonate and tris(trimethylsilyl) phosphite hybrid additives to improve the electrochemical performance of spinel lithium manganese oxide/graphite cells at 60 °C

    International Nuclear Information System (INIS)

    Koo, Bonjae; Lee, Jeongmin; Lee, Yongwon; Kim, Jun Ki; Choi, Nam-Soon

    2015-01-01

    Highlights: •The combination of tris(trimethylsilyl) phosphite and vinylene carbonate improves the electrochemical performance of lithium manganese oxide/graphite cells at 60 °C. •Removal of hydrogen fluoride and water by tris(trimethylsilyl) phosphite suppresses manganese dissolution from lithium manganese oxide. -- Abstract: The organophosphorus compounds tris(trimethylsilyl) phosphite (TMSP) and vinylene carbonate (VC) have been considered for use as functional additives to improve the electrochemical performance of Li 1.1 Mn 1.86 Mg 0.04 O 4 (LMO)/graphite full cells. Our investigation reveals that the combination of VC and TMSP as additives enhances the cycling properties and storage performance of full cells at 60 °C. The unique functions of the TMSP additive in the VC electrolyte are investigated via ex situ X-ray photoelectron spectroscopy (XPS) and 19 F nuclear magnetic resonance (NMR) measurements. The TMSP additive effectively eliminates trace water and hydrogen fluoride (HF) and produces a protective film on the LMO cathode that alleviates manganese dissolution at 60 °C

  8. The role of phosphites in scab management and residues in pecan kernels

    Science.gov (United States)

    Phosphite fungicides are used to manage pecan scab (caused by Fusicladium effusum), the most economically destructive disease of pecan in the Southeast US. The EU has imposed a minimum residue limit (MRL) on these fungicides in pecan kernels. Data shows that the phosphite residue exceeds the 2 ppm M...

  9. A MECHANISTIC STUDY OF RHODIUM TRI(ORTHO-TERT-BUTYLPHENYL)PHOSPHITE COMPLEXES AS HYDROFORMYLATION CATALYSTS

    NARCIS (Netherlands)

    JONGSMA, T; CHALLA, G; VANLEEUWEN, PWNM

    1991-01-01

    A mechanistic study of the hydroformylation cycle with a rhodium tri(o-t-butylphenyl)phosphite complex as catalyst is presented. Spectroscopic experiments prove that under hydroformylation conditions this complex is coordinated by only one phosphite. The complex has a high activity in the

  10. Phosphite fertilisers as inhibitors of Hymenoscyphus fraxineus (anamorph Chalara fraxinea growth in tests in vitro

    Directory of Open Access Journals (Sweden)

    Tkaczyk Miłosz

    2017-03-01

    Full Text Available This study is designed to test the potential for reducing the growth of the mycelium of the fungus Hymenoscyphus fraxineus (anamorph Chalara fraxinea by using phosphite preparations at various concentrations in vitro. The study shows that adding pure phosphite to potato dextrose agar media inhibits the development of the fungus, but if the preparation is applied in the form of ammonium phosphite (Actifos, the growth of fungus will be accelerated. Probably the addition of nitrogen contained in the product Actifos has positive effect on the mycelial growth, but pure phosphite restricts its development. These studies are preliminary and only show the potential use of phosphite to reduce the development of H. fraxineus; however, to completely confirm its operation, further research is needed in this area.

  11. Effect of Different Nano-Sized Silica Sols as Supports on the Structure and Properties of Cu/SiO2 for Hydrogenation of Dimethyl Oxalate

    Directory of Open Access Journals (Sweden)

    Chuancai Zhang

    2017-02-01

    Full Text Available Cu/x-SiO2 catalysts with 4, 10, and 20 nm silica sols as supports was produced by ammonia evaporation method and characterized. Different nano-sized silica sols as supports significantly affected the structure and catalytic properties of the copper catalysts for ethylene glycol synthesis from dimethyl oxalate. Compared with Cu/20-SiO2 and Cu/4-SiO2 catalysts, the catalytic performance and stability of Cu/10-SiO2 catalyst were greatly enhanced. The Cu/10-SiO2 catalyst showed 99.9% conversion with 94% EG selectivity and a lifetime of over 3080 h if it is calculated by industrial weight liquid hourly space velocity (WLHSV of 0.5 h−1. The Cu/10-SiO2 catalyst has one of the longest lifetimes among the catalysts and is a good alternative catalyst for this reaction. Improvement in the catalytic performance and stability of Cu/10-SiO2 is attributed to the proper SBET, Dp and larger dispersion of copper. In addition, the supports of Cu/10-SiO2 catalyst have smaller particles than that of Cu/20-SiO2; thus, the migration and growth of copper species in catalysts are restrained during the reaction.

  12. Different molecular conformations co-exist in each of three 2-aryl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions.

    Science.gov (United States)

    Narayana, Badiadka; Yathirajan, Hemmige S; Rathore, Ravindranath S; Glidewell, Christopher

    2016-09-01

    4-Antipyrine [4-amino-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one] and its derivatives exhibit a range of biological activities, including analgesic, antibacterial and anti-inflammatory, and new examples are always of potential interest and value. 2-(4-Chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide, C19H18ClN3O2, (I), crystallizes with Z' = 2 in the space group P\\overline{1}, whereas its positional isomer 2-(2-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide, (II), crystallizes with Z' = 1 in the space group C2/c; the molecules of (II) are disordered over two sets of atomic sites having occupancies of 0.6020 (18) and 0.3980 (18). The two independent molecules of (I) adopt different molecular conformations, as do the two disorder components in (II), where the 2-chlorophenyl substituents adopt different orientations. The molecules of (I) are linked by a combination of N-H...O and C-H...O hydrogen bonds to form centrosymmetric four-molecule aggregates, while those of (II) are linked by the same types of hydrogen bonds forming sheets. The related compound N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methoxyphenyl)acetamide, C20H21N3O3, (III), is isomorphous with (I) but not strictly isostructural; again the two independent molecules adopt different molecular conformations, and the molecules are linked by N-H...O and C-H...O hydrogen bonds to form ribbons. Comparisons are made with some related structures, indicating that a hydrogen-bonded R2(2)(10) ring is the common structural motif.

  13. Radiosterilization and steam autoclaving sterilization effects on phosphite antioxidant stability

    International Nuclear Information System (INIS)

    Yagoubi, N.; Boucherie, P.; Ferrier, D.

    1997-01-01

    While the radiosterilization by γ rays, is mainly employed for medical devices, this procedure is not commonly used to sterilize and decontaminate raw material and finished product used in the pharmaceutical industry. Depending on the countries, the requirements for obtaining approval to treat this class of product with γ rays may be different. Usually it is the responsibility of the manufacturer to demonstrate not only the integrity of the irradiated product, but olso its efficiency, safety and quality. Our work consists of a comparative study of the effects of γ radiotreatment at 25 kGy and steam sterilisation on phosphite antioxidant incorporated in polypropylene. The γ radiosensitivity compared with thermolability of this antioxidant was studied by reversed phase HPLC, Fourier transform infrared (IRFT) and differential scanning calorimetry (DSC). The results obtained proved that the phosphite incorporated into the polymer and treated with the two types of sterilisation is rapidly oxidized in phosphate. Nevertheless, this oxidation is more important when using radiotreatment at 25 kGy. (orig.)

  14. Structural investigations on zirconium phosphate-phosphite and on its n-butylamine intercalate

    International Nuclear Information System (INIS)

    Rajeh, A.O.; Szirtes, L.

    1995-01-01

    Zirconium phosphate-phosphite have various structure belonging to the drying heat of the sample. While sample dried above sat. NaCl solution had interlayer distance of 1.30 nm (result from d 1 =0.74 nm and d 2 =0.56 nm for phosphite layer), the sample dried under IR lamp on air having interlayer spacing d=0.74 nm charactderistic for α-Zr(HPO 4 ) 2 H 2 O containing little amount of phosphite groups. The compositions of the first sample can be characterized by chemical formula, as Zr(HPO 4 ) 0 .7 (HPO 3 ) 1.3 0.5H 2 O. The X-ray powder diffraction data of n-butylamine intercalate suggest that in the process take place only the phosphate ,region of zirconium phosphate-phosphite (ZrPP). (author). 13 refs., 5 figs

  15. Suppression of the in vitro growth and development of Microdochium nivale by phosphite

    OpenAIRE

    Dempsey, J.; Wilson, I.; spencer-phillips, P.; Arnold, D.

    2018-01-01

    The ascomycete fungus Microdochium nivale is a major pathogen of many species of the gramineae. Control measures rely heavily on chemical fungicides, making alternative means of disease reduction desirable. Phosphite (PO33-,) has proven efficacy in reducing susceptibility of different species of gramineae to oomycetes, and has adverse effects on the in vitro growth of numerous other pathogens. The effect of phosphorous acid (H3PO3), phosphoric acid (H3PO4), dihydrogen potassium phosphite (KH2...

  16. Foliar phosphite application has minor phytotoxic impacts across a diverse range of conifers and woody angiosperms.

    Science.gov (United States)

    Scott, Peter; Bader, Martin Karl-Friedrich; Williams, Nari Michelle

    2016-10-01

    Phytophthora plant pathogens cause tremendous damage in planted and natural systems worldwide. Phosphite is one of the only effective chemicals to control broad-scale Phytophthora disease. Little work has been done on the phytotoxic effects of phosphite application on plant communities especially in combination with plant physiological impacts. Here, we tested the phytotoxic impact of phosphite applied as foliar spray at 0, 12, 24 and 48 kg a.i. ha(-1) . Eighteen-month-old saplings of 13 conifer and angiosperm species native to New Zealand, and two exotic coniferous species were treated and the development of necrotic tissue and chlorophyll-a-fluorescence parameters (optimal quantum yield, Fv /Fm ; effective quantum yield of photosystem II, ΦPSII ) were assessed. In addition, stomatal conductance (gs ) was measured on a subset of six species. Significant necrosis assessed by digital image analysis occurred in only three species: in the lauraceous canopy tree Beilschmiedia tawa (8-14%) and the understory shrub Dodonaea viscosa (5-7%) across phosphite concentrations and solely at the highest concentration in the myrtaceous pioneer shrub Leptospermum scoparium (66%). In non-necrotic tissue, Fv /Fm , ΦPSII and gs remained unaffected by the phosphite treatment. Overall, our findings suggest minor phytotoxic effects resulting from foliar phosphite application across diverse taxa and regardless of concentration. This study supports the large-scale use of phosphite as a management tool to control plant diseases caused by Phytophthora pathogens in plantations and natural ecosystems. Long-term studies are required to ascertain potential ecological impacts of repeated phosphite applications. © 2016 Scandinavian Plant Physiology Society.

  17. Advanced oxidation of hypophosphite and phosphite using a UV/H2O2 process.

    Science.gov (United States)

    Liu, Peng; Li, Chaolin; Liang, Xingang; Xu, Jianhui; Lu, Gang; Ji, Fei

    2013-01-01

    The oxidation of hypophosphite and phosphite in an aqueous solution by an ultraviolet (UV)/H2O2 process was studied in this work. The reactions were performed in a lab-scale batch photoreactor. The effect of different parameters such as H2O2 dosage, H2O2 feeding mode and the initial pH of the solution on the oxidation efficiency of the process was investigated. The results indicated that the UV/H2O2 process could effectively oxidize hypophosphite and phosphite in both synthesized and real wastewater. However, neither H2O2 nor UV alone was able to appreciably oxidize the hypophosphite or phosphite. The best way of feeding H2O2 was found to be 'continuous feeding', which maximized the reaction rate. It was also found that the process presented a wide range of applicable initial pH (5-11). When treating real rinse-wastewater, which was obtained from the electroless nickel plating industry, both hypophosphite and phosphite were completely oxidized within 60 min, and by extending by another 30 min, over 90% of the chemical oxygen demand removal was obtained. Without any additional catalyst, the UV/H2O2 process can oxidize hypophosphite and phosphite to easily removable phosphate. It is really a powerful and environmentally friendly treatment method for the wastewater containing hypophosphite and phosphite.

  18. Electron transfer. 88. Cobalt(III)-bound phosphite and hypophosphite

    International Nuclear Information System (INIS)

    Linn, D.E. Jr.; Gould, E.S.

    1987-01-01

    Phosphite and hypophosphite coordinate to cobalt(III) in (NH 3 ) 5 Co/sup III/ through oxygen, rather than through phosphorus. The resulting complexes undergo electron-transfer reactions with Ru(NH 3 ) 6 2+ much more slowly than with Eu 2+ or V 2+ , indicating that the latter two reactants preferentially utilize ligand bridging. Reductions with Cr 2+ are shown to accompanied by transfer of the phosphorus-containing ligands, and reaction of the protonated phosphito (biphosphito) derivative (pK/sub A/ = 3.06 at 23 0 C) proceeds through a combination of acid-independent and inverse-acid paths, both routes yielding the same phosphito-bound Cr(III) product. The hypophosphito, but not the biphosphito, complex reacts with Ce(IV), producing Co 2+ in an induced electron-transfer process. The yield of Co 2+ falls off progressively as [Ce/sup IV/] is increased, pointing to a sequence in which a Co(III)-bound P(II) radical is formed in initial attack by Ce(IV) but subsequently undergoes partition between competing reaction paths, i.e. internal electron transfer to Co(III) vs external oxidation by a second Ce(IV) center. The hypophosphito complex, but not the biphosphito complex, smoothly decomposes in basic media via an internal redox reaction, yielding Co(II) quantitatively, along with a 1:1 mixture of phosphite, and hypophosphite. This transformation, which fails with mixtures of (NH 3 ) 5 Co(H 2 O) 3+ and H 2 PO 2 - appears to be catalyzed specifically by OH - . Deuterium-labeling experiments disclose a solvent isotope effect. Reaction mechanisms are suggested for all the observed results. 54 references, 5 tables

  19. Superacid univalent metal phosphites (MH2PO3)2·H3PO3 (M Rb, Tl+) and MH2PO3·H3PO3 (M = K, Cs): synthesis and structure

    International Nuclear Information System (INIS)

    Kosterina, E.V.; Troyanov, S.I.; Aslanov, L.A.; Kemnits, Eh.

    2001-01-01

    Crystal superacid phosphites α-CsH 2 PO 3 ·H 3 PO 3 (1) and β-CsH 2 PO 3 ·H 3 PO 3 (2) were prepared by means of interaction between cesium carbonate and phosphoric acid excess. The structure of the compounds, i.e.: 1-rhombic crystal system, sp.gr. P2 1 2 1 2 1 , a = 6.033 (1), b = 6.444 (1), c = 18.345 (4) A: 2-monoclinic crystal system, sp.gr. C2/c, a = 9.990 (3), b = 12.197 (4), c = 6.866 (2) A, β = 118.14 (3) deg, was determined by the method of X-ray diffraction analysis of monocrystals at 150 K. Comparative analysis of the crystal structure and hydrogen bond systems in acid phosphites of different composition was conducted [ru

  20. A novel 3D framework indium phosphite-oxalate based on a pcu-type topology

    International Nuclear Information System (INIS)

    Zuo, Mengmeng; Zhou, Mingdong; Hu, Dianwen; Gao, Fan; Dong, Sijie; Huang, Liangliang

    2016-01-01

    A new inorganic–organic hybrid indium phosphite-oxalate, formulated as H[In 5 (HPO 3 ) 6 (H 2 PO 3 ) 2 (C 2 O 4 ) 2 ]·(C 4 N 2 H 11 ) 2 ·H 2 O 1 has been hydrothermally synthesized in the presence of piperazine acting as a structure directing agent (SDA). The single crystal X-ray diffraction reveals that compound 1 shows three-dimensional open-framework with intersecting 12-ring channels along the [010] and [001] directions, which is constructed from strictly alternating double 6-ring units (D6Rs), [C 2 O 4 ] 2− groups and [H 2 PO 3 ] − pseudo-pyramids. It is noted that the classical D6R SBU is firstly reported in main metal phosphite/phosphite-oxalate. By regarding D6R as the 6-connected nodes, the inorganic–organic hybrid framework is based on a pcu-type topology. The as-synthesized product was characterized by single-crystal X-ray diffraction, powder X-ray diffraction, IR spectroscopy, thermogravimetric analysis (TGA), ICP-AES and elemental analyses. - Graphical abstract: A 3D open-framework indium phosphite-oxalate has been synthesized under hydrothermal conditions. A classical SBU, D6R, is present in the structure. By regarding D6R as the 6-connected nodes, the inorganic–organic hybrid framework is based on a pcu-type topology. - Highlights: • A new indium phosphite-oxalate based on a pcu-type topology has been synthesized. • A classical SBU, D6R, is present in the structure. • The classical SBU is firstly reported in main metal phosphite/phosphite-oxalate.

  1. Transport and compartmentation of phosphite in higher plant cells - kinetic and 31P nuclear magnetic resonance studies

    NARCIS (Netherlands)

    Danova-Alt, R.; Dijkema, C.; Waard, de P.; Köck, M.

    2008-01-01

    Phosphite (Phi, H(2)PO(3)(-)), being the active part of several fungicides, has been shown to influence not only the fungal metabolism but also the development of phosphate-deficient plants. However, the mechanism of phosphite effects on plants is still widely unknown. In this paper we analysed

  2. Synthesis and structural characterization of two cobalt phosphites: 1-D (H3NC6H4NH3)Co(HPO3)2 and 2-D (NH4)2Co2(HPo3)3

    International Nuclear Information System (INIS)

    Cheng, C.-C.; Chang, W.-K.; Chiang, R.-K.; Wang, S.-L.

    2010-01-01

    Two new cobalt phosphites, (H 3 NC 6 H 4 NH 3 )Co(HPO 3 ) 2 (1) and (NH 4 ) 2 Co 2 (HPO 3 ) 3 (2), have been synthesized and characterized by single-crystal X-ray diffraction. All the cobalt atoms of 1 are in tetrahedral CoO 4 coordination. The structure of 1 comprises twisted square chains of four-rings, which contain alternating vertex-shared CoO 4 tetrahedra and HPO 3 groups. These chains are interlinked with trans-1,4-diaminocyclohexane cations by hydrogen bonds. The 2-D structure of 2 comprises anionic complex sheets with ammonium cations present between them. An anionic complex sheet contains three-deck phosphite units, which are interconnected by Co 2 O 9 to form complex layers. Magnetic susceptibility measurements of 1 and 2 showed that they have a weak antiferromagnetic interaction. - Graphical abstract: The 2-D structure of (NH 4 ) 2 Co 2 (HPO 3 ) 3 comprises anionic complex sheets with ammonium cations present between them. An anionic complex sheet contains three-deck phosphite units, which are interconnected by dimmeric Co 2 O 9 to form complex layers.

  3. Asymmetric Hydrogenation of Seven-Membered C=N-containing Heterocycles and Rationalization of the Enantioselectivity.

    Science.gov (United States)

    Balakrishna, Bugga; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton

    2016-07-18

    Iridium(I) complexes with phosphine-phosphite ligands efficiently catalyze the enantioselective hydrogenation of diverse seven-membered C=N-containing heterocyclic compounds (eleven examples; up to 97 % ee). The P-OP ligand L3, which incorporates an ortho-diphenyl substituted octahydrobinol phosphite fragment, provided the highest enantioselectivities in the hydrogenation of most of the heterocyclic compounds studied. The observed stereoselection was rationalized by means of DFT calculations. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. NMR investigation on isotope effect of glycinium phosphite H sub 3 NCH sub 2 COOH centre dot H sub 2 PO sub 3

    CERN Document Server

    Ishibashi, T

    2003-01-01

    The motions of the phosphite anions and glycinium cations in H sub 3 NCH sub 2 COOH centre dot H sub 2 PO sub 3 (GPI) and its deuterated analogue (DGPI) were investigated by sup 1 H, sup 1 sup 3 C and sup 3 sup 1 P spin-lattice relaxation times T sub 1. For both GPI and DGPI, T sub 1 's of the sup 1 H, sup 1 sup 3 C and sup 3 sup 1 P nuclei reflect the amino rotation, methylene libration and motion of the phosphite anions, respectively. Activation energies obtained from T sub 1 's of sup 1 H, sup 1 sup 3 C and sup 3 sup 1 P nuclei are 28.6(2), 26.0(4) and 26.2(4) kJ/mol for GPI and are 34.9(6), 27(1), 47(2) kJ/mol for DGPI, respectively. The deuterium substitution increases E sub a for the motion influenced by the hydrogen bonding. In all the observed motions, correlation times of DGPI are larger than those of GPI. (author)

  5. Electron spin resonance studies of γ-irradiated phosphite and phosphate esters. Identification of phosphinyl, phosphonyl, phosphoranyl, and phosphine dimer cation radicals

    International Nuclear Information System (INIS)

    Kerr, C.M.L.; Webster, K.; Williams, F.

    1975-01-01

    The powder ESR spectra of several γ-irradiated phosphorus esters at 77 0 K were analyzed into their distinguishable radical components, each spectrum being generally a composite of anisotropic features from a number of alkyl and phosphorus-centered radicals. Resolution of overlapping spectra was achieved in some instances by radiation-chemical experiments designed to suppress or enhance the products of electron capture relative to the radicals formed by other mechanisms. The radiation chemistry of dialkyl phosphites, (RO) 2 P(O)H, is influenced by the ease with which the P--H bond in these compounds is broken, the principal radicals being the phosphonyl species (RO) 2 PO and ROP(O)O - . Both of these species are thought to be the secondary products of hydrogen atom abstraction by the alkyl radical R which is produced by dissociative electron capture. A similar primary step was found to apply for the trialkyl phosphates, (RO) 3 PO, but in this case only carbon-centered radicals are formed by secondary H-atom abstraction processes. Results for the pyrophosphite differ from those for the trialkyl phosphites in showing the absence of alkyl radicals or their phosphoranyl adducts and the formation of the phosphonyl species (EtO) 2 PO, the latter being produced presumably by cleavage of the P--O--P bridge. The ESR parameters for each of the four main groups of phosphorus-centered radicals are summarized and the electronic structures of these radicals are discussed briefly

  6. Life based on phosphite: a genome-guided analysis of Desulfotignum phosphitoxidans.

    Science.gov (United States)

    Poehlein, Anja; Daniel, Rolf; Schink, Bernhard; Simeonova, Diliana D

    2013-11-02

    The Delta-Proteobacterium Desulfotignum phosphitoxidans is a type strain of the genus Desulfotignum, which comprises to date only three species together with D. balticum and D. toluenicum. D. phosphitoxidans oxidizes phosphite to phosphate as its only source of electrons, with either sulfate or CO2 as electron acceptor to gain its metabolic energy, which is of exclusive interest. Sequencing of the genome of this bacterium was undertaken to elucidate the genomic basis of this so far unique type of energy metabolism. The genome contains 4,998,761 base pairs and 4646 genes of which 3609 were assigned to a function, and 1037 are without function prediction. Metabolic reconstruction revealed that most biosynthetic pathways of Gram negative, autotrophic sulfate reducers were present. Autotrophic CO2 assimilation proceeds through the Wood-Ljungdahl pathway. Additionally, we have found and confirmed the ability of the strain to couple phosphite oxidation to dissimilatory nitrate reduction to ammonia, which in itself is a new type of energy metabolism. Surprisingly, only two pathways for uptake, assimilation and utilization of inorganic and organic phosphonates were found in the genome. The unique for D. phosphitoxidans Ptx-Ptd cluster is involved in inorganic phosphite oxidation and an atypical C-P lyase-coding cluster (Phn) is involved in utilization of organophosphonates. We present the whole genome sequence of the first bacterium able to gain metabolic energy via phosphite oxidation. The data obtained provide initial information on the composition and architecture of the phosphite-utilizing and energy-transducing systems needed to live with phosphite as an unusual electron donor.

  7. Tribochemical behaviors of phosphite esters and their combinations with alkyl amines

    International Nuclear Information System (INIS)

    Fu, Xisheng; Sun, Lingguo; Zhou, Xuguang; Li, Jianchang; Fan, Bingji; Ren, Tianhui

    2015-01-01

    Highlights: • Investigating the differences of tribological performance between phosphite ester and their combinations with alkyl amines. • The combination of SEM and EDS was used to investigate the worn surface morphology and detect the element distributions and content on the steel surface. • The chemical compositions of the thermal films and tribofilms were characterized by TEY P L-edge and FY P K-edge XANES spectroscopy. • A phosphate and polyphosphate tribofilm was formed after rubbing times of even 10 s, and being formed completely after rubbing times of 10 min. • Phosphite ester forms short-chain polyphosphates, and ammonium phosphite produces medium-chain polyphosphates in the tribfilm. - Abstract: The tribochemical behaviors of dioctylphosphite ester and ditetradecylphosphite ester together with their corresponding combinations with alkyl amines were studied. The results of tribological evaluations showed that the phosphite ester with long alkyl chain exhibited better antiwear performance but worse extreme pressure property than that of the phosphite ester with short alkyl chain. The combinations showed better antiwear performance but worse extreme pressure property than their corresponding phosphite esters. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) were used to investigate the worn surface morphology and the content as well as the distribution of active elements. It can be found that the prorupt edges of worn surface are enriched with phosphoric-oxygenic compounds and less phosphoric-oxygenic compounds were detected in the valley. X-ray absorption near-edge structure (XANES) spectroscopy was employed to explore the chemical nature of the worn surface. The results show that a tribofilm composed of phosphates and polyphosphates is formed on the worn surface. Furthermore, the tribofilm is generated even in a rubbing of 10 s and is formed completely after 10 min rubbing.

  8. Polymerisation occurrence in the anodic oxidation of phosphite on a boron-doped diamond electrode

    International Nuclear Information System (INIS)

    Petrucci, Elisabetta; Montanaro, Daniele; Merli, Carlo

    2008-01-01

    The electrogeneration of polymeric phosphorus compounds during the anodic oxidation of aqueous solutions of phosphites on a boron-doped diamond electrode has been studied. Although the main oxidation product is orthophosphate, the results indicate the simultaneous generation of short-chain and cyclic compounds containing two and three phosphorus atoms whose evolution has been followed by ion chromatography. The effect on the reaction yield of several operative parameters such as current density, pH, temperature and initial phosphite concentration has been investigated. Consistently with the data presented, a new process for the generation of polymeric phosphates is obtained

  9. Hydrogen.

    Science.gov (United States)

    Bockris, John O'M

    2011-11-30

    The idea of a "Hydrogen Economy" is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO₂ in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H₂ from the electrolyzer. Methanol made with CO₂ from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan). Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs) by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  10. Hydrogen

    Directory of Open Access Journals (Sweden)

    John O’M. Bockris

    2011-11-01

    Full Text Available The idea of a “Hydrogen Economy” is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO2 in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H2 from the electrolyzer. Methanol made with CO2 from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan. Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  11. Reversibility of oxidation and aggregation of impurity in the system of potassium halide monocrystal-phosphite molecular centre

    International Nuclear Information System (INIS)

    Lebedev, A.V.; Bogdanova, T.G.; Vasil'ev, I.A.; Mel'nikova, I.N.

    1980-01-01

    Thermo- and radiation-stimulated reversible reaction of oxidation and aggregation of phosphorus in the composition of phosphite molecular centre in the matrix of potassium iodide are studied. It is shown that in the process of isothermal annealing and γ-radiolysis in the matrix of potassium iodide destruction of phosphite molecular centre takes place. It is established that it is accompanied by oxidation of trivalent phosphorus and aggregation of the formed phosphorus-oxygen anions. Reduction of the initial phosphite centre during the sample hardening is explained by the reverse reaction as a result of which electron-exceeding centres of the base are destructed and reduction of phosphorus takes place

  12. Assessment of the properties of diethyl phosphite as a novel anticorrosion pigment in organic coatings

    Czech Academy of Sciences Publication Activity Database

    Nechvílová, K.; Kalendová, A.; Schmidová, E.; Bober, Patrycja

    2017-01-01

    Roč. 71, č. 2 (2017), s. 423-438 ISSN 0366-6352 Institutional support: RVO:61389013 Keywords : diethyl phosphite * conductive polymers * polyaniline Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 1.258, year: 2016

  13. Phosphite radicals and their reactions. Examples of redox, substitution, and addition reactions

    International Nuclear Information System (INIS)

    Schaefer, K.; Asmus, K.D.

    1980-01-01

    Phosphite radicals HPO 3 - and PO 3 2 -, which exist in an acid-base equilibrium with pK = 5.75, are shown to take part in various types of reactions. In the absence of scavengers, they disappear mainly by second-order disproportionation and combination; a first-order contribution to the decay is also indicated. HPO 3 - and PO 3 2 - are good reductants toward electron acceptors such as tetranitromethane. In this reaction phosphate and C(NO 2 ) 3 - are formed. Phosphite radicals can, however, also act as good oxidants, e.g., toward thiols and thiolate ions. These reactions lead to the formation of RS. radicals which were identified either directly, as in the case of penicillamine, through the optical absorption of PenS. or more indirectly through equilibration of RS. with RS- to the optically absorbing RSSR-. disulfide radical anion. A homolytic substitution reaction (S/sub H/2) occurs in the reaction of the phosphite radicals with aliphatic disulfides, yielding RS. radicals and phosphate thioester RSPO 3 2 -. Lipoic acid, as an example of a cyclic disulfide, is reduced to the corresponding RSSR-. radical anion and also undergoes the S/sub H/2 reaction with about equal probability. An addition reaction is observed between phosphite radicals and molecular oxygen. The resulting peroxo phosphate radicals establish an acid-base equilibrium HPO 5 - . reversible PO 5 2- . + H+ with a pK = 3.4. Absolute rate constants were determined for all reactions discussed

  14. STABLE SILICA-GRAFTED POLYMER-BOUND BULKY-PHOSPHITE MODIFIED RHODIUM HYDROFORMYLATION CATALYSTS

    NARCIS (Netherlands)

    JONGSMA, T; VANAERT, H; FOSSEN, M; CHALLA, G; VANLEEUWEN, PWNM

    1993-01-01

    The present study demonstrates that silica-grafted polymer-bound phosphite modified rhodium complexes can be used in continuous flow reactors. The hydroformylation of styrene was carried out at moderate pressure (p(CO/H-2) = 30 bar) and temperature (T = 100-degrees-C), yielding constant conversions

  15. Determination of kinetic parameters and Hammett ρ from the synthesis of triaryl phosphites using reaction calorimetry

    International Nuclear Information System (INIS)

    Seiceira, Rafael C.; Higa, Camila M.; Barreto, Amaro G.; Cajaiba da Silva, Joao F.

    2005-01-01

    Triaryl phosphites bearing electron donating and electron withdrawing substituents were prepared through the reaction of sodium phenoxides with phosphorus trichloride. The reactions were performed in a Mettler RC1 reaction calorimeter. The main purpose of this work was the determination of Hammett ρ from the synthesis of substituted triaryl phosphites through the interpretation of calorimetric data. The phenoxide bearing a methoxide group was the most reactive, and the one bearing the nitro group was the least reactive. It was demonstrated that the reaction rate depends mainly on the addition rate of phosphorus trichloride solution. A good correlation between the Hammet parameters (σ p + ) was obtained, indicating a reaction mechanism in which a decrease of the negative charge occurs in the transition state

  16. Phosphorylation of methylene quinones. IV. Reaction of fuchsone and naphthofuchsone with di- and trialkyl phosphites

    International Nuclear Information System (INIS)

    Kopel'tsiv, Yu.A.; Kolesnikov, V.T.; Shermolovich, Yu.G.; Trotsenko, S.I.; Klep, V.Z.

    1986-01-01

    The reaction of fuchsone and naphthofuchsone with dialkyl esters of phosphorus acid was found to follow the 1,6-addition scheme with the formation of dialkyl esters of 4-hydroxytriphenylmethylphosphonic and 4-hydroxynaphthyldiphenylmethylphosphonic acids, respectively. The structure of the reaction products was determined to depend on the nature of the alkyl substituents of the phosphites used. ESR, IR and phosphorus 31 NMR spectra are analyzed and chemical shifts and spin-spin coupling constants are determined

  17. Neutron-scattering study of low-energy excitations in triphenyl phosphite

    CERN Document Server

    Mayer, J; Massalska-Arodz, M; Janik, J A; Natkaniec, I; Steinsvoll, O

    2002-01-01

    The low-energy excitations in crystalline and glassy triphenyl phosphite were studied by inelastic incoherent neutron scattering with two different instruments. The results - the incoherent dynamic structure factor S(2 theta,omega) and the density of states G(omega) - were obtained using direct and inverted geometry time-of-flight spectrometers, respectively. The probable origin of the excess density of states in the glass (boson peak) is discussed. (orig.)

  18. Neutron-scattering study of low-energy excitations in triphenyl phosphite

    International Nuclear Information System (INIS)

    Mayer, J.; Krawczyk, J.; Massalska-Arodz, M.; Janik, J.A.; Natkaniec, I.; Steinsvoll, O.

    2002-01-01

    The low-energy excitations in crystalline and glassy triphenyl phosphite were studied by inelastic incoherent neutron scattering with two different instruments. The results - the incoherent dynamic structure factor S(2θ,ω) and the density of states G(ω) - were obtained using direct and inverted geometry time-of-flight spectrometers, respectively. The probable origin of the excess density of states in the glass (boson peak) is discussed. (orig.)

  19. Dimethyl N-cyanodithioiminocarbonate

    Directory of Open Access Journals (Sweden)

    Mouhamadou Birame Diop

    2016-03-01

    Full Text Available The title compound, C4H6N2S2, crystallizes with four independent molecules in the asymmetric unit. Two of the molecules are disordered about a pseudo twofold rotation axis. The mean values of the C—N bonds are 1.143 (5 Å for C[triple-bond]N, 1.302 (5 Å for C=N and 1.341 (5 Å for the C—N single bond. In the crystal, molecules are linked via C—H...N hydrogen bonds, forming slabs parallel to the bc plane.

  20. Mn(HPO3): A new manganese (II) phosphite with a condensed structure

    International Nuclear Information System (INIS)

    Chung, U-Chan; Mesa, Jose L.; Pizarro, Jose L.; Jubera, Veronique; Lezama, Luis; Arriortua, Maria I.; Rojo, Teofilo

    2005-01-01

    A new manganese (II) phosphite with the formula Mn(HPO 3 ) has been synthesised under mild hydrothermal conditions and autogenous pressure. Large pink coloured single crystals were obtained, allowing the resolution of the structure by x-ray diffraction. Mn(HPO 3 ) crystallises in the P2 1 /c monoclinic space group with a=8.036(3) A, b=8.240(3) A, c=10.410(3) A, β=124.73(3) deg. and Z=8. The structure consists of a three-dimensional, compact framework of edge sharing MnO 6 octahedra linked to phosphite groups via oxygens. The presence of the phosphite anion has been confirmed by IR spectroscopy. Mn(HPO 3 ) presents a high thermal stability limit of 580 deg. C, before rapid transformation to Mn 2 P 2 O 7 occurs. Photoluminescence and diffuse reflectance spectroscopy studies show the presence of high spin Mn(II) in significantly distorted octahedral coordination with Dq and Racah parameters of Dq=820, B=910 and C=3135 cm -1 . The ESR spectra, performed at different temperatures, are isotropic with a g-value of 2.00(1). Magnetic measurements indicate global antiferromagnetic interactions with a ferromagnetic transition at 15 K, attributed to a canting of the antiferromagneticaly aligned spins. - Graphical abstract: Crystal structure of Mn(HPO 3 )

  1. Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites

    Science.gov (United States)

    Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric

    2017-11-01

    Three new gallium phosphites A[Ga(HPO3)2], where A = K (1), NH4 (2), Rb (3), have been synthesized by using mild hydrothermal conditions under autogeneous pressure. Their structures have been determined by single-crystal X-ray diffraction. These compounds crystallize in the hexagonal P63mc space group with a = 5.2567 (2) Å and c = 12.2582 (3) Å for 1, a = 5.2576 (2) Å and c = 12.9113 (4) Å for 2, a = 5.27020 (10) Å and c = 12.7619 (5) Å for 3, with Z = 2 in the three phases. The three compounds are isostructural and exhibit the same framework topology, consisting of a layered structure stacked along the c-axis with the A+ cations located in the interlayer spaces. The [Ga(HPO3)2]- sheets contain GaO6 octahedra interconnected by phosphite units through sharing vertices. Thermal analysis under air atmosphere shows a large range stability for alkali cations containing compounds with decomposition starting around 750 K leading to phosphate phases. Under nitrogen, a disproportionation of the phosphite into red phosphorus and phosphates is expected, accompanied by a release of H2.

  2. Synthesis and crystal structure of a dinuclear rhodium complex. Catalytic activity of mono- and di-nuclear rhodium phosphite complexes in hydroformylation

    NARCIS (Netherlands)

    Beuken, Esther K. van den; Lange, Wim G.J. de; Leeuwen, Piet W.N.M. van; Veldman, Nora; Spek, Anthony L.; Feringa, Bernard

    1996-01-01

    A new bidentate phosphite, {bis[2-(diphenoxyphosphinoxy)-1-naphthyl]methyl}benzene L(1) and a tetradentate phosphite, 1,4-bis{bis[2-(diphenoxyphosphinoxy)-1-naphthyl]methyl}benzene L(2) were prepared in a facile two-step procedure involving condensation of 2-naphthol with respectively benzaldehyde

  3. Antioxidant properties of dimethyl sulfoxide and its viability as a solvent in the evaluation of neuroprotective antioxidants.

    Science.gov (United States)

    Sanmartín-Suárez, Carolina; Soto-Otero, Ramón; Sánchez-Sellero, Inés; Méndez-Álvarez, Estefanía

    2011-01-01

    Dimethyl sulfoxide is an amphiphilic compound whose miscibility with water and its ability to dissolve lipophilic compounds make it an appreciated solvent in biomedical research. However, its reported antioxidant properties raise doubts about its use as a solvent in evaluating new antioxidants. The goal of this investigation was to evaluate its antioxidant properties and carry out a comparative study on the antioxidant properties of some known neuroprotective antioxidants in the presence and absence of dimethyl sulfoxide. The antioxidant properties of dimethyl sulfoxide were studied in rat brain homogenates by determining its ability to reduce both lipid peroxidation (TBARS formation) and protein oxidation (increase in protein carbonyl content and decrease in free thiol content) induced by ferrous chloride/hydrogen peroxide. Its ability to reduce the production of hydroxyl radicals by 6-hydroxydopamine autoxidation was also estimated. The same study was also performed with three known antioxidants (α-phenyl-N-tert-butylnitrone; 2-methyl-2-nitrosopropane; 5,5-dimethyl-1-pyrroline N-oxide) in the presence and absence of dimethyl sulfoxide. Our results showed that dimethyl sulfoxide is able to reduce both lipid peroxidation and protein carbonyl formation induced by ferrous chloride/hydrogen peroxide in rat brain homogenates. It can also reduce the production of hydroxyl radicals during 6-hydroxydopamine autoxidation. However, it increases the oxidation of protein thiol groups caused by ferrous chloride/hydrogen peroxide in rat brain homogenate. Despite the here reported antioxidant and pro-oxidant properties of dimethyl sulfoxide, the results obtained with α-phenyl-N-tert-butylnitrone, 2-methyl-2-nitrosopropane, and 5,5-dimethyl-1-pyrroline N-oxide corroborate the antioxidant properties attributed to these compounds and support the potential use of dimethyl sulfoxide as a solvent in the study of the antioxidant properties of lipophilic compounds. Dimethyl sulfoxide

  4. Guanylurea(1+) hydrogen phosphite: study of linear and nonlinear optical properties

    Czech Academy of Sciences Publication Activity Database

    Fridrichová, M.; Kroupa, Jan; Němec, I.; Císařová, I.; Chvostová, Dagmar

    2010-01-01

    Roč. 83, 10-11 (2010), s. 761-767 ISSN 0141-1594 R&D Projects: GA ČR GA203/09/0878 Institutional research plan: CEZ:AV0Z10100520 Keywords : non-centrosymmetric * guanylurea * refractive indices * nonlinear optics Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.006, year: 2010

  5. New lanthanide hydrogen phosphites LnH (P03H)2 2H20

    International Nuclear Information System (INIS)

    Durand, J.; Tijani, N.; Cot, L.; Loukili, M.; Rafiq, M.

    1988-01-01

    LnH ((P0 3 H) 2 2H 2 0 is prepared from lanthanide oxide and phosphorous acid with Ln = La, Y, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er or Tm. By thermal gravimetric analysis LnH (P0 3 H) 2 and LnH 2 P 2 0 5 (P0 3 H) 2 are obtained. The three salts are orthorhombic. Parameters and space groups are given for the three salts of each lanthanide. 4 tabs., 13 refs

  6. On synergism in inhibition of liquidphase oxidation of styrene and tetralin by organic phosphites and transition eleement acetylacetonates

    International Nuclear Information System (INIS)

    Pobedimskij, D.G.; Nasobullin, Sh.A.; Kadyrova, V.Kh.; Kirpichnikov, P.A.

    1976-01-01

    Synergism has been observed during inhibiting initiated oxidation of styrene or tetralin by organic phosphites in the presence of complex compounds of some transition metals. The results are given of non-additive intensification of antioxidative activity of triphenylphosphite (TPP) and tri-(4-methyl-6-tert.-- butyl)-phenyl-phosphite (TMBP) in the process of initiated oxidation of styrene or tetralin with addition of acetylacetonates of cobalt and vanadyl. During styrene oxidation, inhibition of the reaction with chelate complex of vanadyl is weakened considerably when phosphite is added into the reaction system. During tetralin oxidation, postcatalytic (or branched) oxidation is observed only for large concentration of vanadyl complex. Addition of TPP to above complex sharply increases the induction period. When the induction period is completed, oxidation of tetralin follows the mechanism of usual, i.e. initiated, reaction

  7. Electromembrane extraction with alkylated phosphites and phosphates as supported liquid membranes

    DEFF Research Database (Denmark)

    Huang, Chuixiu; Gjelstad, Astrid; Pedersen-Bjergaard, Stig

    2017-01-01

    -nitrophenyl octyl ether) was proposed as a new and successful SLM for EME of both polar and non-polar basic drugs. An assay based on EME-HPLC/UV with a TBP/NPOE SLM was evaluated from two-fold diluted human plasma under physiological pH conditions for both polar and non-polar basic drugs. The evaluation data......A range of alkylated phosphates and phosphites were for the first time investigated as potential supported liquid membranes (SLMs) for electromembrane extraction (EME) of basic drugs from human plasma samples. Six polar basic drugs were used as model analytes for initial testing of the different...

  8. Synthesis and crystal structure of acid indium phosphite In(H3PO3)3

    International Nuclear Information System (INIS)

    Zakharova, B.S.; Chudinova, N.N.; Ilyhkhin, A.B.

    1996-01-01

    A group of isostructural acid phosphites of trivalent metals M(H 2 PO 3 ) 3 , where M 3 =V, Fe, Ga, In, was synthesized. Crystal structure of In(H 2 PO 3 ) 3 was determined. The compound crystallizes in hexagonal syngony, a = 8.414(2), c = 7.069(2) A, V = 433.3(2) A 3 , Z = 2, sp.gr. P6 3 . In (H 2 PO 3 ) 3 structure is of frame type. 9 refs.; 3 tabs

  9. Structural and spectroscopic studies of 2,9-dimethyl-1,10 ...

    African Journals Online (AJOL)

    The crystal structures of the pronated ligand, 2,9-dimethyl-1,10-phenanthrolinium (DPH) cation with selected counter anions (chloride (1), triflate (2), and gold dicyanide (3)) are reported. The role of a hydrogen bond interaction in influencing the solid state p-p stacking found in all three compounds has been investigated.

  10. Construction of two novel indium phosphites with (3,6)- and (3,5)-connected frameworks: Synthesis, structure and characterization

    International Nuclear Information System (INIS)

    Li Huiduan; Zhang Lirong; Huo Qisheng; Liu Yunling

    2013-01-01

    Two novel anionic indium phosphites, formulated as [H 3 O][In(HPO 3 ) 2 ] (1) and [C 4 H 12 N 2 ][In 2 (HPO 3 ) 3 (C 2 O 4 )] (2), were prepared under hydrothermal conditions by using piperazine (PIP) as a structure-directing agent (SDA). Single-crystal X-ray diffraction analysis reveals that compounds 1 and 2 crystallize in the hexagonal space group P6 3 mc (No. 186) and orthorhombic space group Cmcm (No. 63), respectively. Compound 1, constructed from InO 6 octahedra and HPO 3 pseudo-pyramids, exhibits a rare (3,6)-connected layer structure with kgd (Kagome dual) topology. Compound 2, on the other hand, features a 3D phosphite-oxalate hybrid structure with intersecting 8- and 12-MRs channels. From a topological perspective 2 can be regarded as a (3, 5)-connected binodal net with the Schläfli symbol (4 2 .6)(4 2 .6 5 .8 3 ). Highlights: ► Two novel indium phosphite and indium phosphite-oxalate hybrid compounds are synthesized. ► (3, 6)-connected layer structure with kgd topology. ► (3,5)-connected binodal net with the Schläfli symbol (4 2 .6)(4 2 .6 5 .8 3 ).

  11. Dimethyl (E-2-(N-phenylacetamidobut-2-enedioate

    Directory of Open Access Journals (Sweden)

    Ting Bin Wen

    2011-01-01

    Full Text Available The title compound, C14H15NO5, was obtained from the reaction of acetanilide with dimethyl acetylenedicarboxylate in the presence of potassium carbonate. The C=C double bond adopts an E configuration and the geometry around the amide N atom is almost planar rather than pyramidal (mean deviation of 0.0032 Å from the C3N plane. The packing of the molecules in the crystal structure is stabilized by intermolecular C—H...O hydrogen bonds.

  12. cis-Bis(2,2′-bipyridine-κ2N,N′bis(dimethyl sulfoxide-κOzinc bis(tetraphenylborate dimethyl sulfoxide monosolvate

    Directory of Open Access Journals (Sweden)

    Stefania Tomyn

    2011-12-01

    Full Text Available In the mononuclear title complex, [Zn(C10H8N22(C2H6OS2](C24H20B2·C2H6OS, the ZnII ion is coordinated by four N atoms of two bidentate 2,2′-bipyridine molecules and by the O atoms of two cis-disposed dimethyl sulfoxide molecules in a distorted octahedral geometry. The S atom and the methyl groups of one of the coordinated dimethyl sulfoxide molecules are disordered in a 0.509 (2:0.491 (2 ratio. The crystal packing is stabilized by C—H...O hydrogen bonds between the dimethyl sulfoxide solvent molecules and tetraphenylborate anions.

  13. Flux synthesis of (3,4)-connected zinc phosphites with different framework topologies

    International Nuclear Information System (INIS)

    Lin Zhien; Dehnen, Stefanie

    2009-01-01

    Two three-dimensional open-framework zinc phosphites, H 2 aem.Zn 3 (HPO 3 ) 4 .0.5H 2 O (1) and H 2 apm.Zn 3 (HPO 3 ) 4 (2), have been synthesized by a phosphorous acid flux method, where aem=4-(2-aminoethyl)morpholine and apm=4-(3-aminopropyl)morpholine. Compound 1 crystallizes in the monoclinic system, P2 1 /c, a=9.5852(7) A, b=20.3941(8) A, c=10.5339(8) A, β=94.125(9) o , V=2053.8(2) A 3 , Z=4, R 1 =0.0319, wR 2 =0.0628. Compound 2 crystallizes in the monoclinic system, P2 1 /n, a=8.589(2) A, b=14.020(3) A, c=16.606(3) A, β=97.190(8) o , V=1983.9(7) A 3 , Z=4, R 1 =0.0692, wR 2 =0.1479. Both compounds are based on (3,4)-connected networks with 8- and 12-ring channels, which are constructed from Zn 3 (HPO 3 ) 4 clusters as the same secondary building units. These inorganic clusters are spatially organized by different structure-directing agents into different three-dimensional frameworks. - Graphical abstract: Two three-dimensional open-framework zinc phosphites have been synthesized by a phosphorous acid flux method. The two compounds are constructed from Zn 3 (HPO 3 ) 4 clusters and have noz and pcu topologies, respectively.

  14. Kinetic modeling study of homogeneous ignition of dimethyl ether/hydrogen and dimethyl ether/methane

    International Nuclear Information System (INIS)

    Wang, Ying; Liu, Hong; Ke, Xichun; Shen, Zhenxing

    2017-01-01

    Highlights: • Kinetic effects on the homogeneous ignitions of DME/H_2 and DME/CH_4 were studied. • Ignition delays with different DME blending ratio were determined and analyzed. • Different DME ignition combustion trends are found for H_2 and CH_4 addition. • Key elementary reactions are identified at different DME ratios and temperatures. - Abstract: Homogeneous ignition combustion of different proportion DME/H_2 and DME/CH_4 blend fuels in the air is investigated through the numerical simulation with the detailed chemistry at the low and high temperatures in this paper. The emphasis is the assessment of the kinetic effects involved in the ignition combustion of DME/H_2 and DME/CH_4 dual-fuel. It is found that the homogeneous ignition process has a clear distinction at the different temperatures. At the low temperature (900 K), the ignition delay times of DME/H_2 blends and DME/CH_4 blends both show an increase with a decrease of the DME blending ratio; furthermore, it is observed that CH_4 addition is more effective than H_2 addition in terms of delaying the DME homogeneous ignition due to the stable molecular structure of CH_4. At the high temperature (1400 K), with the decrease of DME blending ratio, the ignition delay time of DME/CH_4 blends is still increased, whereas, the ignition delay time of DME/H_2 blends is shortened. Sensitivity analysis, reaction path analysis and main pollutant species calculation are carried out and key elementary reactions involved in homogeneous ignition of DME/H_2 and DME/CH_4 dual fuel are also identified in this paper.

  15. Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from Hibiscus sabdariffa (Malvaceae).

    Science.gov (United States)

    Zheoat, Ahmed M; Gray, Alexander I; Igoli, John O; Kennedy, Alan R; Ferro, Valerie A

    2017-09-01

    The biologically active title compounds have been isolated from Hibiscus sabdariffa plants, hibiscus acid as a dimethyl sulfoxide monosolvate [systematic name: (2 S ,3 R )-3-hy-droxy-5-oxo-2,3,4,5-tetra-hydro-furan-2,3-di-carb-oxy-lic acid dimethyl sulfoxide monosolvate], C 6 H 6 O 7 ·C 2 H 6 OS, (I), and hibiscus acid dimethyl ester [systematic name: dimethyl (2 S ,3 R )-3-hy-droxy-5-oxo-2,3,4,5-tetra-hydro-furan-2,3-di-carboxyl-ate], C 8 H 10 O 7 , (II). Compound (I) forms a layered structure with alternating layers of lactone and solvent mol-ecules, that include a two-dimensional hydrogen-bonding construct. Compound (II) has two crystallographically independent and conformationally similar mol-ecules per asymmetric unit and forms a one-dimensional hydrogen-bonding construct. The known absolute configuration for both compounds has been confirmed.

  16. Dimethyl sulfoxide complexing with iodine

    Energy Technology Data Exchange (ETDEWEB)

    Borovikov, Yu Ya; Serguchev, Yu A; Staninets, V I

    1986-01-01

    Dielectrometry, conductometry, IR-spectroscopy are used to study dimethyl sulfoxide complexing with iodine in binary system and in CCl/sub 4/, C/sub 6/H/sub 6/, C/sub 6/H/sub 5/Cl, C/sub 6/H/sub 5/CF/sub 3/, 1, 2-dichloroethane solutions. Complexes of 1:1 composition are formed in solutions, in the binary system of 2:1 and 2:2 composition. I/sub 2/ molecules add to oxygen atoms. In CCl/sub 4/ and in binary system gradual transformation of so called external charge transfer complexes (CTC-1) to internal ones (CTC-2) that are described by the 1st order reaction kinetic equations is observed. On dissolution of CTC of 2:2 composition they disproportionate into two CTC molecules 1:1. Enthalpy of forming CTC-1 1:1 is approximately 4 kcal/mol, CTC-2 1:1 - 8, CTC-1 2:1 - 8 kcal/mol.

  17. Combined experimental and theoretical investigation of interactions between kaolinite inner surface and intercalated dimethyl sulfoxide

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shuai [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Liu, Qinfu, E-mail: lqf@cumtb.edu.cn [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Cheng, Hongfei [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Zeng, Fangui [Department of Earth Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China)

    2015-03-15

    Graphical abstract: Snapshot of the kaolinite–DMSO system after equilibrium is reached. - Highlights: • Dimethyl sulfoxide arranges a monolayer structure between kaolinite layers. • Weak hydrogen bonds exist between methyl groups of dimethyl sulfoxide and kaolinite silica layer. • Intercalated dimethyl sulfoxide forms strong hydrogen bonds with kaolinite alumina layer. - Abstract: Kaolinite intercalation complex with dimethyl sulfoxide (DMSO) was investigated by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and thermogravimetry–differential scanning calorimetry (TG–DSC) combined with molecular dynamics simulation. The bands assigned to the OH stretching of inner surface of kaolinite were significantly perturbed after intercalation of DMSO into kaolinite. Additionally, the bands attributed to the vibration of gibbsite-like layers of kaolinite shifted to the lower wave number, indicating that the intercalated DMSO were strongly hydrogen bonded to the alumina octahedral surface of kaolinite. The slightly decreased intensity of 1031 cm{sup −1} and 1016 cm{sup −1} band due to the in-plane vibration of Si−O of kaolinite revealed that some DMSO molecules formed weak hydrogen bonds with the silicon tetrahedral surface of kaolinite. Based on the TG result of kaolinite–DMSO intercalation complex, the formula of A1{sub 2}Si{sub 2}O{sub 5}(OH){sub 4}(DMSO){sub 0.7} was obtained, with which the kaolinite–DMSO complex model was constructed. The molecular dynamics simulation of kaolinite–DMSO complex directly confirmed the monolayer structure of DMSO in interlayer space of kaolinite, where the DMSO arranged almost parallel with kaolinite basal surface with all methyl groups being distributed near the interlayer midplane and oxygen atoms orienting toward to the alumina octahedral surface. The radial distribution function between kaolinite and intercalated DMSO verified the strong hydrogen bonds forming between hydroxyl hydrogen

  18. Synthesis, complexation chemistry and a case of self-recognition of chiral phosphite ligands

    NARCIS (Netherlands)

    Dros, AC; Meetsma, A; Kellogg, RM

    1999-01-01

    Reaction of (R)-(-)-1-phenyl-2,2,3-trimethylbutane-1,3-diol with PCl3 affords trans-(S)-2-chloro-4,4,5,5-tetramethyl-6-(R)-phenyl-1,3,2-dioxaphosphorinane, which couples smoothly with catechol, resorcinol, 2,2-dimethyl-1,3-propanediol and fluorenedimethanol to form the corresponding diphosphites. By

  19. 2-(5,7-Dimethyl-3-methylsulfanyl-1-benzofuran-2-ylacetic acid

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2008-08-01

    Full Text Available The title compound, C13H14O3S, was prepared by alkaline hydrolysis of ethyl 2-(5,7-dimethyl-3-methylsulfanyl-1-benzofuran-2-ylacetate. In the crystal structure, the carboxyl groups are involved in intermolecular O—H...O hydrogen bonds, which link the molecules into centrosymmetric dimers. These dimers are further packed into stacks along the a axis by weak C—H...π interactions.

  20. DFT Study of dimers of dimethyl sulfoxide in gas phase

    Directory of Open Access Journals (Sweden)

    Reza Fazaeli

    2014-10-01

    Full Text Available Density functional (DFT calculations at M05-2x/aug-cc-pVDZ level were used to analyze the interactions between dimethyl sulfoxide (DMSO dimers. The structures obtained have been ana-lyzed with the Atoms in Molecules (AIMs and Natural Bond Orbital (NBO methodologies. Four minima were located on the potential energy surface of the dimers. Three types of interac-tions are observed, CH•••O, CH•••S hydrogen bonds and orthogonal interaction between the lone pair of the oxygen with the electron-deficient region of the sulfur atom. Stabilization energies of dimers including BSSE and ZPE are in the range 27–40 kJmol-1. The most stable conformers of dimers at DFT level is cyclic structure with antiparallel orientation of S=O groups pairing with three C–H∙∙∙O and a S∙∙∙O interactions.

  1. Synthesis, growth, morphology and characterization of ferroelectric glycine phosphite single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Devi, K. Renuka; Srinivasan, K. [Crystal Growth Laboratory, Department of Physics, School of Physical Sciences, Bharathiar University, Tamil Nadu (India)

    2011-12-15

    Glycine phosphite (NH{sub 3}CH{sub 2}COO.H{sub 3}PO{sub 3}), a potential ferroelectric material, was grown as single crystals from aqueous solutions by slow evaporation and slow cooling methods. Laboratory synthesized title compound was purified by recrystallization method and confirmed by Fourier transform infrared and Laser Raman studies. Temperature dependent solubility in double distilled water in the range between 288 and 328 K was determined by gravimetric method. Morphological importance of various growth faces were studied by optical goniometry. Powder x-ray diffraction study performed on the grown crystals confirms the crystal system and lattice parameters of the unit cell. Optical transparency of the grown crystals in the ultraviolet-visible -near infrared region was studied by spectroscopic method. Thermal stability of the grown crystals in the temperature region above ambient until melting was studied using differential scanning calorimetry. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Injection characteristics of dimethyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Glensvig, M.

    1996-09-01

    Dimethyl ether (DME) has proved to be a new ultra-clean alternative fuel for diesel engines. Engine tests have shown considerably lower NO{sub x} emissions, no particle emissions and lower noise compared to that obtained from normal diesel engine operation. DME also has demonstrated favorable response to Exhaust Gas Recirculation (EGR). The purpose of this investigation was to achieve a better understanding of the fundamental spray behavior of DME. Fundamental spray behaviour was characterized by fuel spray penetration and angle, atomization and droplet size and evaporation. The influence of fuel characteristics, nozzle geometry and ambient pressure on the DME and diesel spray behavior was investigated. Fuel was injected into an unheated injection chamber with a ambient pressure of 15 bar and 25 bar, respectively, giving a simplified simulation of the environment in an operating engine. Two nozzles were studied: a single hole nozzle and a pintle nozzle. A conventional fuel injection system was used for both nozzles. Injection parameters of RPM, throttle position, fuel line length and chamber environment were held constant for both nozzles. The sprays were visualized using schlieren and high speed photography. Results show that the general appearance of the DME spray is similar to that of diesel spray. The core of the DME spray seems less dense and the spray tip less sharp compared to diesel spray, indicating smaller droplets with a lower momentum in the core of the DME spray. Schlieren film shows that with both DME and diesel fuel, the spray tip only consists of liquid and that evaporation occurs after a brief time interval. Penetration of DME is about one third that of diesel using the pintle nozzle. Also, the spray angle is considerably larger for the DME spray compared to the diesel spray. A comparatively smaller difference in penetration is observed using the hole nozzle. Differences in penetration for the hole nozzle are within the limit of the penetration

  3. Isotope effect of glycinium phosphite NH3CH2COOH·H2PO3 studied by neutron diffraction

    International Nuclear Information System (INIS)

    Magome, Eisuke; Komukae, Masaru; Machida, Mitsuo; Tamura, Yuuki

    2007-01-01

    To study the isotope effect of glycinium phosphite (GPI), temperature dependences of the 5 0 6-bar and 3 0 1 0-bar structure factors of GPI and the 1 1 0 3-bar and 9 0 8-bar structure factors of deuterated GPI (DGPI) were analyzed in the ferroelectric phase by using the quasi-one-dimensional Ising model. The Ising model reproduces well the behavior of all the structure factors in the wide temperature region. The parameters for the intrachain and interchain interactions are determined to be 312 and 7.1 K for GPI, and 477 and 8.4 K for DGPI on average, respectively. (author)

  4. Chain Extension and Thermal Behavior of Recycled Poly(Ethylene Terephthalate Modified by Reactive Extrusion with Triphenyl Phosphite

    Directory of Open Access Journals (Sweden)

    Qin Dan

    2016-01-01

    Full Text Available Reactive extrusion experiments of recycled PET fabrics (R-PET were carried out in a Haake torque rheometer with triphenyl phosphite (TPP and thermal behavior of modified R-PET was investigated by differential scanning calorimetry (DSC. The reaction mechanism which TPP acts as a cross-linker is verified by the experiment of phosphorus elemental analysis. DSC results show the presence of reaction residues may not modify melting temperature Tm and crystallization temperature Tc is controlled by the combined effect of molecular weight and reaction residues.

  5. Cobalt-Doped Nickel Phosphite for High Performance of Electrochemical Energy Storage.

    Science.gov (United States)

    Li, Bing; Shi, Yuxin; Huang, Kesheng; Zhao, Mingming; Qiu, Jiaqing; Xue, Huaiguo; Pang, Huan

    2018-03-01

    Compared to single metallic Ni or Co phosphides, bimetallic Ni-Co phosphides own ameliorative properties, such as high electrical conductivity, remarkable rate capability, upper specific capacity, and excellent cycle performance. Here, a simple one-step solvothermal process is proposed for the synthesis of bouquet-like cobalt-doped nickel phosphite (Ni 11 (HPO 3 ) 8 (OH) 6 ), and the effect of the structure on the pseudocapacitive performance is investigated via a series of electrochemical measurements. It is found that when the cobalt content is low, the glycol/deionized water ratio is 1, and the reaction is under 200 °C for 20 h, the morphology of the sample is uniform and has the highest specific surface area. The cobalt-doped Ni 11 (HPO 3 ) 8 (OH) 6 electrode presents a maximum specific capacitance of 714.8 F g -1 . More significantly, aqueous and solid-state flexible electrochemical energy storage devices are successfully assembled. The aqueous device shows a high energy density of 15.48 mWh cm -2 at the power density of 0.6 KW cm -2 . The solid-state device shows a high energy density of 14.72 mWh cm -2 at the power density of 0.6 KW cm -2 . These excellent performances confirm that the cobalt-doped Ni 11 (HPO 3 ) 8 (OH) 6 are promising materials for applications in electrochemical energy storage devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. 21 CFR 172.133 - Dimethyl dicarbonate.

    Science.gov (United States)

    2010-04-01

    ... and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... treatment, filtration, or other technologies prior to the use of dimethyl dicarbonate: (1) In wine, dealcoholized wine, and low alcohol wine in an amount not to exceed 200 parts per million. (2) In ready-to-drink...

  7. Inactivation of MXR1 Abolishes Formation of Dimethyl Sulfide from Dimethyl Sulfoxide in Saccharomyces cerevisiae

    OpenAIRE

    Hansen, Jørgen

    1999-01-01

    Dimethyl sulfide (DMS) is a sulfur compound of importance for the organoleptic properties of beer, especially some lager beers. Synthesis of DMS during beer production occurs partly during wort production and partly during fermentation. Methionine sulfoxide reductases are the enzymes responsible for reduction of oxidized cellular methionines. These enzymes have been suggested to be able to reduce dimethyl sulfoxide (DMSO) as well, with DMS as the product. A gene for an enzymatic activity lead...

  8. Dielectric properties in the vicinity of the ferroelectric phase transition in a mixed crystal of deuterated betaine phosphate{sub 0.03} betaine phosphite{sub 0.97}

    Energy Technology Data Exchange (ETDEWEB)

    Banys, J.; Macutkevic, J.; Kajokas, A.; Brilingas, A.; Grigas, J. [Faculty of Physics, Vilnius University, Sauletekio 9, Vilnius 2040 (Lithuania); Klimm, C.; Voelkel, G. [Fakultaet fuer Physik und Geowissenschaften, Universitaet Leipzig, Linnestr. 5, 04103 Leipzig (Germany)

    2004-02-01

    The dielectric behaviour of ferroelectric hydrogen bonded deuterated betaine phosphate{sub 0.03} betaine phosphite{sub 0.97} (DBP{sub 0.03}DBPI{sub 0.97})is investigated in the region of the ferroelectric phase transition. Dielectric dispersion is investigated in the frequency range up to 12 GHz. The dielectric dynamics shows a critical slowing down. The frequency of the relaxational soft mode in the paraelectric phase varies according to the quasi-one-dimensional Ising model and decreases up to 0.31 GHz at the phase transition temperature (T{sub C}=272 K). The obtained activation energy for the deuteron flipping motion {delta}U=2.3kT{sub C}=0.054 eV shows the order-disorder character of the ferroelectric phase transition. The spontaneous polarisation, obtained from pyroelectric measurements, is also well explained using the quasi-one-dimensional Ising model. At low temperatures, the freezing phenomena in DBP{sub 0.03}DBPI{sub 0.97} revealed the complex dielectric permittivity behaviour characteristic for the transition into the dipolar glass state. The activation energy of this low temperature process was found to be E{sub b}=1297 K (0.041 eV) and the glass temperature was estimated to 73 K. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. (α,α-dimethyl)glycyl (dmg) PNAs

    Science.gov (United States)

    Gourishankar, Aland; Ganesh, Krishna N.

    2012-01-01

    The design and facile synthesis of sterically constrained new analogs of PNA having gem-dimethyl substitutions on glycine (dmg-PNA-T) is presented. The PNA oligomers [aminoethyl dimethylglycyl (aedmg) and aminopropyl dimethylglycyl (apdmg)] synthesized from the monomers 6 and 12) effected remarkable stabilization of homothyminePNA2:homoadenine DNA/RNA triplexes and mixed base sequence duplexes with target cDNA or RNA. They show a higher binding to DNA relative to that with isosequential RNA. This may be a structural consequence of the sterically rigid gem-dimethyl group, imposing a pre-organized conformation favorable for complex formation with cDNA. The results complement our previous work that had demonstrated that cyclohexanyl-PNAs favor binding with cRNA compared with cDNA and imply that the biophysical and structural properties of PNAs can be directed by introduction of the right rigidity in PNA backbone devoid of chirality. This approach of tweaking selectivity in binding of PNA constructs by installing gem-dimethyl substitution in PNA backbone can be extended to further fine-tuning by similar substitution in the aminoethyl segment as well either individually or in conjunction with present substitution. PMID:22679528

  10. Synthesis of Dimethyl Glutarate from Cyclobutanone and Dimethyl Carbonate over Solid Base Catalysts

    International Nuclear Information System (INIS)

    Zhi, Chen; Dudu, Wu

    2012-01-01

    A facile route for the synthesis of dimethyl glutarate (DMG) from cyclobutanone and dimethyl carbonate (DMC) in the presence of solid base catalysts has been developed. It was found that the intermediate carbomethoxycyclobutanone (CMCB) was produced from cyclobutanone with DMC in the first step, and then CMCB was further converted to DMG by reacting with a methoxide group. The role of the basic catalysts can be mainly ascribed to the activation of cyclobutanone via the abstraction of a proton in the α-position by base sites, and solid bases with moderate strength, such as MgO, favor the formation of DMG

  11. Synthesis of Dimethyl Glutarate from Cyclobutanone and Dimethyl Carbonate over Solid Base Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Zhi, Chen; Dudu, Wu [Guangdong Medical College, Dongguan (China)

    2012-06-15

    A facile route for the synthesis of dimethyl glutarate (DMG) from cyclobutanone and dimethyl carbonate (DMC) in the presence of solid base catalysts has been developed. It was found that the intermediate carbomethoxycyclobutanone (CMCB) was produced from cyclobutanone with DMC in the first step, and then CMCB was further converted to DMG by reacting with a methoxide group. The role of the basic catalysts can be mainly ascribed to the activation of cyclobutanone via the abstraction of a proton in the {alpha}-position by base sites, and solid bases with moderate strength, such as MgO, favor the formation of DMG

  12. Thermal study on the impurity effect on thermodynamic stability of the glacial phase in triphenyl phosphite-triphenyl phosphate system

    International Nuclear Information System (INIS)

    Tanabe, Ikue; Takeda, Kiyoshi; Murata, Katsuo

    2005-01-01

    To investigate the impurity effect on thermodynamic stability of the glacial phase, an apparently amorphous metastable phase observed in triphenyl phosphite (TPP), the differential scanning calorimetry (DSC) was carried out in the temperature range 120-350 K for binary mixtures between TPP and triphenyl phosphate (TPPO). Heating up from the glassy liquid, supercooled liquid phase transformed into glacial phase below the crystallization temperature for all the samples with x < 0.2, where x denotes the mole fraction of TPPO. Both transformation temperatures from liquid to glacial and from glacial to crystal increased and temperature range that glacial phase appears narrowed with the content of TPPO. The peak intensity of exothermic effect due to the transformation from liquid to glacial becomes larger whereas that from glacial to crystal reduced. The kinetic and thermodynamic stabilities were discussed for liquid and glacial phases based on the DSC results

  13. Thermal study on the impurity effect on thermodynamic stability of the glacial phase in triphenyl phosphite-triphenyl phosphate system

    Energy Technology Data Exchange (ETDEWEB)

    Tanabe, Ikue [Department of Chemistry, Naruto University of Education, Naruto, Tokushima 772-8502 (Japan); Takeda, Kiyoshi [Department of Chemistry, Naruto University of Education, Naruto, Tokushima 772-8502 (Japan)]. E-mail: takeda@naruto-u.ac.jp; Murata, Katsuo [Department of Chemistry, Naruto University of Education, Naruto, Tokushima 772-8502 (Japan)

    2005-06-15

    To investigate the impurity effect on thermodynamic stability of the glacial phase, an apparently amorphous metastable phase observed in triphenyl phosphite (TPP), the differential scanning calorimetry (DSC) was carried out in the temperature range 120-350 K for binary mixtures between TPP and triphenyl phosphate (TPPO). Heating up from the glassy liquid, supercooled liquid phase transformed into glacial phase below the crystallization temperature for all the samples with x < 0.2, where x denotes the mole fraction of TPPO. Both transformation temperatures from liquid to glacial and from glacial to crystal increased and temperature range that glacial phase appears narrowed with the content of TPPO. The peak intensity of exothermic effect due to the transformation from liquid to glacial becomes larger whereas that from glacial to crystal reduced. The kinetic and thermodynamic stabilities were discussed for liquid and glacial phases based on the DSC results.

  14. Phosphate or phosphite addition promotes the proteolytic turnover of phosphate-starvation inducible tomato purple acid phosphatase isozymes.

    Science.gov (United States)

    Bozzo, Gale G; Singh, Vinay K; Plaxton, William C

    2004-08-27

    Within 48 h of the addition of 2.5 mM phosphate (HPO42-, Pi) or phosphite (H2PO3-, Phi) to 8-day-old Pi-starved (-Pi) tomato suspension cells: (i) secreted and intracellular purple acid phosphatase (PAP) activities decreased by about 12- and 6-fold, respectively and (ii) immunoreactive PAP polypeptides either disappeared (secreted PAPs) or were substantially reduced (intracellular PAP). The degradation of both secreted PAP isozymes was correlated with the de novo synthesis of two extracellular serine proteases having M(r)s of 137 and 121 kDa. In vitro proteolysis of purified secreted tomato PAP isozymes occurred following their 24 h incubation with culture filtrate from Pi-resupplied cells. The results indicate that Pi or Phi addition to -Pi tomato cells induces serine proteases that degrade Pi-starvation inducible extracellular proteins.

  15. Syntheses, structures and magnetic properties of two new one-dimensional cobalt (II) phosphites with organic amines acting as ligands

    International Nuclear Information System (INIS)

    Li Gaijuan; Xing Yan; Song Shuyan

    2008-01-01

    Two new one-dimensional (1D) inorganic-organic hybrid cobalt (II) phosphites Co(HPO 3 ) (py) (1) and [Co(OH)(py) 3 ][Co(py) 2 ][HPO 2 (OH)] 3 (2) have been prepared under solvothermal conditions in the presence of pyridine (py). Compound 1 crystallizes in the monoclinic system, space group p2(1)/c, a=5.3577(7) A, b=7.7503(10) A, c=17.816(2) A, β=94.327(2) o , V=737.67(16) A 3 , Z=4. Compound 2 is orthorhombic, Cmcm, a=16.3252(18) A, b=15.7005(16) A, c=13.0440(13) A, β=90.00 o V=3343.4(6) A 3 and Z=4. Compound 1 possesses a 1D ladder-like framework constructed from CoO 3 N tetrahedral, HPO 3 pseudo-pyramids and pyridine ligands. While compound 2 is an unusual inorganic-organic hybrid 1D chain, which consists of corner-shared six-membered rings made of CoO 3 N 3 /CoO 4 N 2 octahedra and HPO 3 pseudo-pyramids through sharing vertices. - Graphical abstract: Two new 1D inorganic-organic hybrid cobalt (II) phosphites have been prepared under solvothermal conditions in the presence of pyridine. Co(HPO 3 ) (py) possesses a 1D ladder-like framework constructed from CoO 3 N tetrahedral, HPO 3 pseudo-pyramids and pyridine ligands (left); 1D-chain structure of [Co(OH)(py) 3 ][Co(py) 2 ][HPO 2 (OH)] 3 consists of corner-shared six-membered rings (right)

  16. Low-Dissipation Thermosets Derived from Oligo(2,6-Dimethyl Phenylene Oxide-Containing Benzoxazines

    Directory of Open Access Journals (Sweden)

    Chien-Han Chen

    2018-04-01

    Full Text Available Poly(2,6-dimethyl phenyl oxide (PPO is known for its low dissipation factor. To achieve insulating materials with low dissipation factors for high-frequency communication applications, a telechelic oligomer-type benzoxazine (P-APPO and a main-chain type benzoxazine polymer (BPA-APPO were prepared from an amine end-capped oligo (2,6-dimethyl phenylene oxide (APPO. The APPO was prepared from a nucleophilic substitution of a phenol-end capped oligo (2,6-dimethyl phenylene oxide (a commercial product, SA 90 with fluoronitrobenzene, and followed by catalytic hydrogenation. After self-curing or curing with a dicyclopentadiene-phenol epoxy (HP 7200, thermosets with high-Tg and low-dissipation factor can be achieved. Furthermore, the resulting epoxy thermosets show better thermal and dielectric properties than those of epoxy thermoset cured from its precursor SA90, demonstrating it is a successful modification in simultaneously enhancing the thermal and dielectric properties.

  17. Thermochemical biorefinery based on dimethyl ether as intermediate: Technoeconomic assessment

    International Nuclear Information System (INIS)

    Haro, P.; Ollero, P.; Villanueva Perales, A.L.; Gómez-Barea, A.

    2013-01-01

    Highlights: ► A thermochemical biorefinery based on bio-DME as intermediate is studied. ► The assessed concepts (12) lead to multi-product generation (polygeneration). ► In all concepts DME is converted by carbonylation or hydrocarbonylation. ► Rates of return are similar to or higher than plants producing a single product. -- Abstract: Thermochemical biorefinery based on dimethyl ether (DME) as an intermediate is studied. DME is converted into methyl acetate, which can either be hydrogenated to ethanol or sold as a co-product. Considering this option together with a variety of technologies for syngas upgrading, 12 different process concepts are analyzed. The considered products are ethanol, methyl acetate, H 2 , DME and electricity. The assessment of each alternative includes biomass pretreatment, gasification, syngas clean-up and conditioning, DME synthesis and conversion, product separation, and heat and power integration. A plant size of 500 MW th processing poplar chips is taken as a basis. The resulting energy efficiency to products ranges from 34.9% to 50.2%. The largest internal rate of return (28.74%) corresponds to a concept which produces methyl acetate, DME and electricity (exported to grid). A sensitivity analysis with respect to total plant investment (TPI), total operation costs (TOC) and market price of products was carried out. The overall conclusion is that, despite its greater complexity, this kind of thermochemical biorefinery is more profitable than thermochemical bioprocesses oriented to a single product.

  18. Determination of dimethyl selenide and dimethyl sulphide compounds causing off-flavours in bottled mineral waters.

    Science.gov (United States)

    Guadayol, Marta; Cortina, Montserrat; Guadayol, Josep M; Caixach, Josep

    2016-04-01

    Sales of bottled drinking water have shown a large growth during the last two decades due to the general belief that this kind of water is healthier, its flavour is better and its consumption risk is lower than that of tap water. Due to the previous points, consumers are more demanding with bottled mineral water, especially when dealing with its organoleptic properties, like taste and odour. This work studies the compounds that can generate obnoxious smells, and that consumers have described like swampy, rotten eggs, sulphurous, cooked vegetable or cabbage. Closed loop stripping analysis (CLSA) has been used as a pre-concentration method for the analysis of off-flavour compounds in water followed by identification and quantification by means of GC-MS. Several bottled water with the aforementioned smells showed the presence of volatile dimethyl selenides and dimethyl sulphides, whose concentrations ranged, respectively, from 4 to 20 ng/L and from 1 to 63 ng/L. The low odour threshold concentrations (OTCs) of both organic selenide and sulphide derivatives prove that several objectionable odours in bottled waters arise from them. Microbial loads inherent to water sources, along with some critical conditions in water processing, could contribute to the formation of these compounds. There are few studies about volatile organic compounds in bottled drinking water and, at the best of our knowledge, this is the first study reporting the presence of dimethyl selenides and dimethyl sulphides causing odour problems in bottled waters. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Delayed dermal burns caused by dimethyl acetylenedicarboxylate

    Energy Technology Data Exchange (ETDEWEB)

    Slovak, A J; Payne, A R

    1984-07-01

    A chemical operator handling dimethyl acetylenedicarboxylate (DMAD) developed delayed and pain-free burns on one of his feet 2 days after a supposed spillage of DMAD. The injuries were confirmed to be associated with DMAD by chemical analysis of the operator's safety boot and patch tests. DMAD easily penetrates some protective clothing and dilute solutions can still be hazardous: the toxic effect is compounded by being delayed and painless. The lachrymatory irritant properties of undiluted DMAD are not adequate warning of its presence or spillage in quantities sufficient to cause significant skin damage.

  20. Side-by-Side Comparison of Hydroperoxide and Corresponding Alcohol as Hydrogen-Bond Donors

    DEFF Research Database (Denmark)

    Møller, Kristian Holten; Tram, Camilla Mia; Kjærgaard, Henrik Grum

    2017-01-01

    tert-butanol (t-BuOH), with dimethyl ether (DME) as the hydrogen-bond acceptor. Using a combination of Fourier-transform infrared spectroscopy and quantum chemical calculations, we compare the strength of the OH-O hydrogen bond and the total strength of complexation. We find that, both in terms...... results, we find that the hydroperoxide complex is stabilized by ∼4 kJ/mol (Gibbs free energy) more than the alcohol complex. Measured red shifts show the same trend in hydrogen-bond strength with trimethylamine (N acceptor atom) and dimethyl sulfide (S acceptor atom) as the hydrogen-bond acceptors....

  1. Footwear contact dermatitis from dimethyl fumarate.

    Science.gov (United States)

    Švecová, Danka; Šimaljakova, Maria; Doležalová, Anna

    2013-07-01

    Dimethyl fumarate (DMF) is an effective inhibitor of mold growth. In very low concentrations, DMF is a potent sensitizer that can cause severe allergic contact dermatitis (ACD). It has been identified as the agent responsible for furniture contact dermatitis in Europe. The aim of this study was to evaluate patients in Slovakia with footwear ACD associated with DMF, with regard to clinical manifestations, patch test results, and results of chemical analysis of their footwear. Nine patients with suspected footwear contact dermatitis underwent patch testing with the following allergens: samples of their own footwear, commercial DMF, the European baseline, shoe screening, textile and leather dye screening, and industrial biocides series. The results were recorded according to international guidelines. The content of DMF in footwear and anti-mold sachets was analyzed using gas chromatography and mass spectrometry. Acute ACD was observed in nine Caucasian female patients. All patients developed delayed sensitization, as demonstrated by positive patch testing using textile footwear lining. Seven patients were patch tested with 0.1% DMF, and all seven were positive. Chemical analysis of available footwear showed that DMF was present in very high concentrations (25-80 mg/Kg). Dimethyl fumarate is a new footwear allergen and was responsible for severe ACD in our patients. To avoid an increase in the number of cases, the already approved European preventive measures should be accepted and commonly employed. © 2013 The International Society of Dermatology.

  2. Iodine-Catalyzed Isomerization of Dimethyl Muconate

    Energy Technology Data Exchange (ETDEWEB)

    Settle, Amy E [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Berstis, Laura R [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Zhang, Shuting [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Rorrer, Nicholas [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Hu, Haiming [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Richards, Ryan [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Beckham, Gregg T [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Crowley, Michael F [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Vardon, Derek R [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2018-04-12

    cis,cis-Muconic acid is a platform biobased chemical that can be upgraded to drop-in commodity and novel monomers. Among the possible drop-in products, dimethyl terephthalate can be synthesized via esterification, isomerization, Diels-Alder cycloaddition, and dehydrogenation. The isomerization of cis,cis-dimethyl muconate (ccDMM) to the trans,trans-form (ttDMM) can be catalyzed by iodine; however, studies have yet to address (i) the mechanism and reaction barriers unique to DMM, and (ii) the influence of solvent, potential for catalyst recycle, and recovery of high-purity ttDMM. To address this gap, we apply a joint computational and experimental approach to investigate iodine-catalyzed isomerization of DMM. Density functional theory calculations identified unique regiochemical considerations due to the large number of halogen-diene coordination schemes. Both transition state theory and experiments estimate significant barrier reductions with photodissociated iodine. Solvent selection was critical for rapid kinetics, likely due to solvent complexation with iodine. Under select conditions, ttDMM yields of 95% were achieved in <1 h with methanol, followed by high purity recovery (>98%) with crystallization. Lastly, post-reaction iodine can be recovered and recycled with minimal loss of activity. Overall, these findings provide new insight into the mechanism and conditions necessary for DMM isomerization with iodine to advance the state-of-the-art for biobased chemicals.

  3. Dimethyl ether as a drift-chamber gas

    International Nuclear Information System (INIS)

    Bari, G.; Basile, M.; Bonvicini, G.; Cara Romeo, G.; Casaccia, R.; Cifarelli, L.; Cindolo, F.; Contin, A.; D'Ali, G.; Del Papa, C.; Focardi, S.; Iacobucci, G.; Maccarrone, G.; Massam, T.; Motta, F.; Nania, R.; Palmonari, F.; Prisco, G.; Sartorelli, G.; Susinno, G.; Votano, L.; Zichichi, A.; Istituto Nazionale di Fisica Nucleare, Bologna; European Organization for Nuclear Research, Geneva; Istituto Nazionale di Fisica Nucleare, Frascati; Michigan Univ., Ann Arbor; Palermo Univ.

    1986-01-01

    We have continued the testing of dimethyl ether as a drift-chamber gas in order to improve the understanding of its properties. In particular, we report on measurement accuracy, on systematic effects, and some preliminary data on the ageing of a detector filled with dimethyl ether. (orig.)

  4. Hydrogen energy

    International Nuclear Information System (INIS)

    2005-03-01

    This book consists of seven chapters, which deals with hydrogen energy with discover and using of hydrogen, Korean plan for hydrogen economy and background, manufacturing technique on hydrogen like classification and hydrogen manufacture by water splitting, hydrogen storage technique with need and method, hydrogen using technique like fuel cell, hydrogen engine, international trend on involving hydrogen economy, technical current for infrastructure such as hydrogen station and price, regulation, standard, prospect and education for hydrogen safety and system. It has an appendix on related organization with hydrogen and fuel cell.

  5. Selective production of oxygenates from CO2 hydrogenation over mesoporous silica supported Cu-Ga nanocomposite catalyst

    KAUST Repository

    Huang, Kuo-Wei; Hengne, Amol Mahalingappa; Bhatte, Kushal Deepak; Ould-Chikh, Samy; Saih, Youssef; Basset, Jean-Marie

    2017-01-01

    Carbon dioxide hydrogenation to oxygenates (methanol and dimethyl ether (DME)) was investigated over bifunctional supported copper catalysts promoted with gallium (Ga). Supported Cu-Ga nanocomposite catalysts were characterized by X-ray diffraction

  6. Chemiluminescence of curcumin and quenching effect of dimethyl sulfoxide on its peroxyoxalate system

    Energy Technology Data Exchange (ETDEWEB)

    Yari, Abdollah, E-mail: a.yari@ymail.co [Lorestan University, Department of Chemistry, Flakalaflak Street, 68178-17133 Khorramabad (Iran, Islamic Republic of); Saidikhah, Marzieh [Lorestan University, Department of Chemistry, Flakalaflak Street, 68178-17133 Khorramabad (Iran, Islamic Republic of)

    2010-04-15

    The chemiluminescence behavior of the reaction between bis(2,4,6-trichlorophenyl)oxalate (TCPO) and hydrogen peroxide, in the presence of curcumin as fluorophore, has been investigated. Experimental factors such as TCPO, sodium salicylate (SS), hydrogen peroxide and curcumin concentration were optimized. The chemiluminescence signal showed a linear decay while dimethyl sulfoxide (DMSO) was added to the peroxyoxalate (PO-CL) system. The reaction resulted in a Stern-Volmer plot with a K{sub q} value of 7.3x10{sup 4}. The evaluated lower and upper detection limits of measurable concentrations of DMSO are 3.50x10{sup -5} and 1.53x10{sup -4} M, respectively. The PO-CL parameters were estimated by computer fitting of the experimental CL intensity to proper models.

  7. Atmospherically Relevant Radicals Derived from the Oxidation of Dimethyl Sulfide.

    Science.gov (United States)

    Mardyukov, Artur; Schreiner, Peter R

    2018-02-20

    The large number and amounts of volatile organosulfur compounds emitted to the atmosphere and the enormous variety of their reactions in various oxidation states make experimental measurements of even a small fraction of them a daunting task. Dimethyl sulfide (DMS) is a product of biological processes involving marine phytoplankton, and it is estimated to account for approximately 60% of the total natural sulfur gases released to the atmosphere. Ocean-emitted DMS has been suggested to play a role in atmospheric aerosol formation and thereby cloud formation. The reaction of ·OH with DMS is known to proceed by two independent channels: abstraction and addition. The oxidation of DMS is believed to be initiated by the reaction with ·OH and NO 3 · radicals, which eventually leads to the formation of sulfuric acid (H 2 SO 4 ) and methanesulfonic acid (CH 3 SO 3 H). The reaction of DMS with NO 3 · appears to proceed exclusively by hydrogen abstraction. The oxidation of DMS consists of a complex sequence of reactions. Depending on the time of the day or altitude, it may take a variety of pathways. In general, however, the oxidation proceeds via chains of radical reactions. Dimethyl sulfoxide (DMSO) has been reported to be a major product of the addition channel. Dimethyl sulfone (DMSO 2 ), SO 2 , CH 3 SO 3 H, and methanesulfinic acid (CH 3 S(O)OH) have been observed as products of further oxidation of DMSO. Understanding the details of DMS oxidation requires in-depth knowledge of the elementary steps of this seemingly simple transformation, which in turn requires a combination of experimental and theoretical methods. The methylthiyl (CH 3 S·), methylsulfinyl (CH 3 SO·), methylsulfonyl (CH 3 SO 2 ·), and methylsulfonyloxyl (CH 3 SO 3 ·) radicals have been postulated as intermediates in the oxidation of DMS. Therefore, studying the chemistry of sulfur-containing free radicals in the laboratory also is the basis for understanding the mechanism of DMS oxidation in the

  8. Selectivity control of carbonylation of methanol to dimethyl oxalate and dimethyl carbonate over gold anode by electrochemical potential.

    Science.gov (United States)

    Funakawa, Akiyasu; Yamanaka, Ichiro; Takenaka, Sakae; Otsuka, Kiyoshi

    2004-05-05

    New and unique electrocatalysis of gold for the carbonylation of methanol to dimethyl oxalate (DMO) and dimethyl carbonate (DMC) was found. The selectivity to DMO and DMC could be controlled over gold anode by electrochemical potential, as you like. Drastic changes of gold electrocatalysis was due to changes of the oxidation state of gold, Au0 or Au3+.

  9. Study on the Electrochemical Property of Microporous Cobalt Phosphite[Co_11(HPO_3)_8(OH)_6

    International Nuclear Information System (INIS)

    Lee, Dong Heon; Kang, Myunggoo; Jung, Hyun; Paek, Seung-Min

    2016-01-01

    Crystalline microporous cobalt phosphite, Co_11(HPO_3)_8(OH)_6, was prepared via facile hydrothermal route without the use of any templates or surfactants. The cobalt chloride hexahydrate (CoCl_2·6H_2O) and sodium hypophosphite monohydrate (NaH_2PO_2·H_2O) were employed as reactants, and sodium bicarbonate(NaHCO_3) was added to adjust the pH. The resultant Co_11(HPO_3)_8(OH)_6 shows dumbbell-like shape witha size of several micrometers. The obtained materials were characterized by X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, thermal gravimetric analysis (TGA), field-emission scanning electron microscopy (FE-SEM), and energy dispersive spectrometry (EDS). The Co_11(HPO_3)_8(OH)_6 is applied as electrochemical energy storage electrode material because of its unique microporous nature. Different aqueous electrolytes (LiOH, NaOH, and KOH) have been tested in order to study the effect of electrolyte cations on electrochemical behavior. To investigate the capacity and stability of Co_11(HPO_3)_8(OH)_6 electrode, cyclic voltammetry (CV), galvanostatic charge-discharge (GC), and cycle stability were performed in aqueous electrolytes with different cations at room temperature. We found that the electrochemical behavior of these materials is strongly dependent on the species of electrolyte cations (Li"+,Na"+, and K"+).

  10. Ethylenediammonium dication: H-bonded complexes with terephthalate, chloroacetate, phosphite, selenite and sulfamate anions. Detailed vibrational spectroscopic and theoretical studies of ethylenediammonium terephthalate

    Science.gov (United States)

    Marchewka, M. K.; Drozd, M.

    2012-12-01

    Crystalline complexes between ethylenediammonium dication and terephthalate, chloroacetate, phosphite, selenite and sulfamate anions were obtained by slow evaporation from water solution method. Room temperature powder infrared and Raman measurements were carried out. For ethylenediammonium terephthalate theoretical calculations of structure were performed by two ways: ab-initio HF and semiempirical PM3. In this case the PM3 method gave more accurate structure (closer to X-ray results). The additional PM3 calculations of vibrational spectra were performed. On the basis theoretical approach and earlier vibrational studies of similar compounds the vibrational assignments for observed bands have been proposed. All compounds were checked for second harmonic generation (SHG).

  11. Synthesis and structure of Bis(3,3-dimethyl-3,4-dihydroisoquinolyl-1) ketoxime

    International Nuclear Information System (INIS)

    Sokol, V.I.; Davydov, V.V.; Shklyaev, Yu.V.; Kartashova, I.V.; Sergienko, V.S.; Zaitsev, B.E.

    1997-01-01

    The reaction of bis(3,3-dimethyl-3,4-dihydroisoquinolyl-1)methane with NaNO 2 resulted in the formation of bis(3,3-dimethyl-3,4-dihydroisoquinolyl-1) ketoxime (I). The crystal and molecular structure of I was determined (x-ray structure analysis, Enraf-Nonius CAD-4, MoK α -radiation, graphite monochromator, θ/2θ scan, 2θ max =58 deg. , 4800 unique reflections; a=10.327(4), b=9.070(5), and c=21.62(1) A; β=94.02(3) deg.; V=2020(1) A 3 ; Z=4; and sp. gr. Pn). In the crystal, I exists in the oxime tautomeric form. Two symmetry-independent molecules are bound into a dimer through the intermolecular N=OH···N cycl 3 hydrogen bond. Both molecules are nonplanar; the dihedral angles between the mean planes of their 3,4-dihydroisoquinoline moieties are 72 deg. and 74 deg. According to IR and electron absorption spectra, the tautomeric form of compound I is also retained in solutions, and the π-conjugation between the 3,4-dihydroisoquinoline fragments of I is actually absent

  12. Steady-state and laser flash photolysis of 1 - benzocyclanones and their α, α - dimethyl derivatives

    International Nuclear Information System (INIS)

    Netto-Ferreira, Jose Carlos; Scaiano, J.C.

    1999-01-01

    Laser excitation of 0.01 M solutions of 1-indanone (Ia), 1-tetralone )ib), 1-benzo suberone (lc), and their α, α-dimethyl derivatives IIa-c, respectively, in benzene, produced transients with maximum adsorption at 425 nm, and lifetimes ranging from 62 ns (IIIa) to 5.5μs (Ic). Quenching studies using well known triplet quenchers such as 1,3-cyclohexadiene and oxygen demonstrated the triplet nature of these transients. In the presence of hydrogen donors, such as 2-propanol, the triplet state decay of the ketones Ia-c leads to the formation of the corresponding ketyl radicals, IIIa-c, which show absorption spectra very similar to the parent ketone, with λ max at 430 nm and lifetime in excess of 20 μs. Steady state irradiations show that the α, α,-dimethyl ketones IIa form ortho-alkyl benzaldehydes probably derived from an initial α-cleavage of the corresponding triplet excited states. The characterization of products has been carried out using 1 H NMR. (author)

  13. Hydrogen sensor

    Science.gov (United States)

    Duan, Yixiang; Jia, Quanxi; Cao, Wenqing

    2010-11-23

    A hydrogen sensor for detecting/quantitating hydrogen and hydrogen isotopes includes a sampling line and a microplasma generator that excites hydrogen from a gas sample and produces light emission from excited hydrogen. A power supply provides power to the microplasma generator, and a spectrometer generates an emission spectrum from the light emission. A programmable computer is adapted for determining whether or not the gas sample includes hydrogen, and for quantitating the amount of hydrogen and/or hydrogen isotopes are present in the gas sample.

  14. Asymmetric Dimethyl Arginine in Hypothyroid Patients

    International Nuclear Information System (INIS)

    Abdel-Messeih, P.L.

    2012-01-01

    Thyroid diseases may lead to endothelial dysfunction, however, the mechanism underlying the endothelial dysfunction in thyroid disease is still not clear. Asymmetric dimethyl arginine (ADMA), a novel inhibitor of endothelial nitric oxide synthetase (eNOS), was reported to inhibit nitric oxide (NO) synthesis from L-arginine. The present study was carried out to investigate ADMA levels together with effects of dislipidemia in sub-clinical and overt hypothyroid females. There were significant increase in the levels of total cholesterol, low density lipoprotein-cholesterol (LDL-c), high density lipoprotein-cholesterol (HDL-c), thyroid stimulating hormone (TSH) and ADMA in hypothyroid females as compared to controls while the levels of NO and free T 4 were significantly decreased than controls. Sub-clinical hypothyroid females had significant high TSH, LDL-c and non-significantly high ADMA levels and total cholesterol as compared to controls while they had significant decrease in NO, HDL-c and non-significant decrease in free T 4 as compared to controls. There were significant negative correlations between NO and both ADMA (r 2 = 0.84) and free T 4 (r 2 = 0.95) in overt hypothyroid group while significant positive correlation (r 2 = 0.85) was detected between TSH and HDL-c in the same group. These results are highly suggestive that the decrease of nitric oxide secondary to accumulation of ADMA represent an important pathogenic factor together with dyslipidemia in endothelial dysfunction and increased cardiovascular risk especially in hypothyroid females

  15. Asymmetric Dimethyl Arginine in Hypothyroid Patients

    Energy Technology Data Exchange (ETDEWEB)

    Abdel-Messeih, P. L. [Health Radiation Research Department, National Centre for Radiation Research and Technology, Cairo (Egypt)

    2012-07-01

    Thyroid diseases may lead to endothelial dysfunction, however, the mechanism underlying the endothelial dysfunction in thyroid disease is still not clear. Asymmetric dimethyl arginine (ADMA), a novel inhibitor of endothelial nitric oxide synthetase (eNOS), was reported to inhibit nitric oxide (NO) synthesis from L-arginine. The present study was carried out to investigate ADMA levels together with effects of dislipidemia in sub-clinical and overt hypothyroid females. There were significant increase in the levels of total cholesterol, low density lipoprotein-cholesterol (LDL-c), high density lipoprotein-cholesterol (HDL-c), thyroid stimulating hormone (TSH) and ADMA in hypothyroid females as compared to controls while the levels of NO and free T{sub 4} were significantly decreased than controls. Sub-clinical hypothyroid females had significant high TSH, LDL-c and non-significantly high ADMA levels and total cholesterol as compared to controls while they had significant decrease in NO, HDL-c and non-significant decrease in free T{sub 4} as compared to controls. There were significant negative correlations between NO and both ADMA (r{sup 2} = 0.84) and free T{sub 4} (r{sup 2} = 0.95) in overt hypothyroid group while significant positive correlation (r{sup 2} = 0.85) was detected between TSH and HDL-c in the same group. These results are highly suggestive that the decrease of nitric oxide secondary to accumulation of ADMA represent an important pathogenic factor together with dyslipidemia in endothelial dysfunction and increased cardiovascular risk especially in hypothyroid females.

  16. Hydrogen system (hydrogen fuels feasibility)

    International Nuclear Information System (INIS)

    Guarna, S.

    1991-07-01

    This feasibility study on the production and use of hydrogen fuels for industry and domestic purposes includes the following aspects: physical and chemical properties of hydrogen; production methods steam reforming of natural gas, hydrolysis of water; liquid and gaseous hydrogen transportation and storage (hydrogen-hydride technology); environmental impacts, safety and economics of hydrogen fuel cells for power generation and hydrogen automotive fuels; relevant international research programs

  17. catena-Poly[[copper(II)-bis[μ-bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide

    Science.gov (United States)

    Seredyuk, Maksym; Haukka, Matti; Pavlenko, Vadim A.; Fritsky, Igor O.

    2009-01-01

    In the title compound, {[Cu(C10H14N4Se)2](ClO4)2}n, the CuII ion is located on a twofold rotation axis and has a tetra­gonally distorted square-planar geometry constituted by four N atoms. A pair of bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide (L) ligands bridges the copper centers into a polymeric chain extending along [001]. The perchlorate anions are involved in inter­molecular N—H⋯O hydrogen bonding, which links the chains into layers parallel to the bc plane. PMID:21578140

  18. cis-Dichlorido(dimethyl sulfoxide-κS(N,N,N′,N′-tetramethylguanidine-κN′′platinum(II

    Directory of Open Access Journals (Sweden)

    Ivan I. Eliseev

    2013-02-01

    Full Text Available In the title compound, cis-[PtCl2(C5H13N3(C2H6OS], the four-coordinate PtII atom is bonded to one N atom of the N,N,N′,N′-tetramethylguanidine ligand, one dimethyl sulfoxide S atom and two chloride ligands, forming a cis-square-planar geometry. The bond lengths and angles of the N—Pt—Cl functionality are typical for imine dichloridoplatinum(II complexes. The H atom of the imino group is oriented towards the O atom of the sulfoxide group of a neighboring molecule and forms an N—H...O hydrogen bond.

  19. catena-Poly[[copper(II-bis[μ-bis(3,5-dimethyl-1H-pyrazol-4-yl selenide

    Directory of Open Access Journals (Sweden)

    Maksym Seredyuk

    2009-11-01

    Full Text Available In the title compound, {[Cu(C10H14N4Se2](ClO42}n, the CuII ion is located on a twofold rotation axis and has a tetragonally distorted square-planar geometry constituted by four N atoms. A pair of bis(3,5-dimethyl-1H-pyrazol-4-yl selenide (L ligands bridges the copper centers into a polymeric chain extending along [001]. The perchlorate anions are involved in intermolecular N—H...O hydrogen bonding, which links the chains into layers parallel to the bc plane.

  20. Experimental and theoretical evaluation on the microenvironmental effect of dimethyl sulfoxide on adrenaline in acid aqueous solution

    Science.gov (United States)

    Yu, Zhang-Yu; Liu, Tao; Guo, Dao-Jun; Liu, Yong-Jun; Liu, Cheng-Bu

    2010-12-01

    The microenvironmental effect of dimethyl sulfoxide (DMSO) on adrenaline was studied by several approaches including the cyclic voltammetry (CV) of adrenaline at a platinum electrode in acid aqueous solution, the chemical shift of 1H nuclear magnetic resonance ( 1H NMR) of adrenaline, and the change of diffusion coefficient of adrenaline. The experimental results demonstrated that DMSO has significant microenvironmental effect on adrenaline, which was confirmed by the density functional theory (DFT) study on the hydrogen bond (H-bond) complexes of adrenaline with water and DMSO.

  1. Crystal structure of hexakis(dimethyl sulfoxide-κO)manganese(II) tetraiodide

    KAUST Repository

    Haque, Mohammed

    2016-11-15

    The title salt, [Mn(C2H6OS)6]I4, is made up from discrete [Mn(DMSO)6]2+ (DMSO is dimethyl sulfoxide) units connected through non-classical hydrogen bonds to linear I4 2- tetraiodide anions. The MnII ion in the cation, situated on a position with site symmetry -3., is octahedrally coordinated by O atoms of the DMSO molecule with an Mn - O distance of 2.1808(12)Å. The I4 2- anion contains a neutral I2 molecule weakly coordinated by two iodide ions, forming a linear centrosymmetric tetraiodide anion. The title compound is isotypic with the Co, Ni, Cu, and Zn analogues.

  2. 2,9-Dimethyl-1,10-phenanthrolin-1-ium tetrachloridoferrate(III methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Ehsan Bahojb Noruzi

    2012-07-01

    Full Text Available In the title compound, (C14H13N2[FeCl4]·CH3OH, the 2,9-dimethyl-1,10-phenanthrolin-1-ium cation, FeCl4− anion and methanol solvent molecule lie on a twofold rotation axis. Due to symmetry, the H atom on the N atom of the cation is half-occupied. In the anion, the FeIII atom has a tetrahedral geometry. H atoms of the methanol molecule are disordered over two sets of sites around the twofold axis. In the crystal, π–π contacts between the pyridine rings and between the pyridine and benzene rings [centroid–centroid distances = 3.6535 (16 and 3.5522 (17 Å] and intermolecular O—H...N and N—H...O hydrogen bonds stabilize the structure.

  3. Crystal structure of hexakis(dimethyl sulfoxide-κO)manganese(II) tetraiodide

    KAUST Repository

    Haque, Mohammed; Davaasuren, Bambar; Rothenberger, Alexander; Wu, Tao

    2016-01-01

    The title salt, [Mn(C2H6OS)6]I4, is made up from discrete [Mn(DMSO)6]2+ (DMSO is dimethyl sulfoxide) units connected through non-classical hydrogen bonds to linear I4 2- tetraiodide anions. The MnII ion in the cation, situated on a position with site symmetry -3., is octahedrally coordinated by O atoms of the DMSO molecule with an Mn - O distance of 2.1808(12)Å. The I4 2- anion contains a neutral I2 molecule weakly coordinated by two iodide ions, forming a linear centrosymmetric tetraiodide anion. The title compound is isotypic with the Co, Ni, Cu, and Zn analogues.

  4. 5,5′-(Ethyne-1,2-diyldiisophthalic acid dimethyl sulfoxide tetrasolvate

    Directory of Open Access Journals (Sweden)

    Alexander S. Münch

    2013-06-01

    Full Text Available In the title compound, C18H10O8·4C2H6OS, the mid-point of the triple bond of the main molecule is located on a special position, i.e. about an inversion center. The carboxyl groups are twisted slightly out of the planes of the aromatic rings to which they are attached, making dihedral angles of 24.89 (1 and 7.40 (2°. The cystal packing features strong O—H...O hydrogen bonds, weaker C—H...O interactions and O...S contacts [3.0981 (11 Å] and displays channel-like voids extending along the a-axis direction which contain the dimethyl sulfoxide solvent molecules.

  5. CO2 Recycling to Dimethyl Ether: State-of-the-Art and Perspectives

    Directory of Open Access Journals (Sweden)

    Enrico Catizzone

    2017-12-01

    Full Text Available This review reports recent achievements in dimethyl ether (DME synthesis via CO2 hydrogenation. This gas-phase process could be considered as a promising alternative for carbon dioxide recycling toward a (biofuel as DME. In this view, the production of DME from catalytic hydrogenation of CO2 appears as a technology able to face also the ever-increasing demand for alternative, environmentally-friendly fuels and energy carriers. Basic considerations on thermodynamic aspects controlling DME production from CO2 are presented along with a survey of the most innovative catalytic systems developed in this field. During the last years, special attention has been paid to the role of zeolite-based catalysts, either in the methanol-to-DME dehydration step or in the one-pot CO2-to-DME hydrogenation. Overall, the productivity of DME was shown to be dependent on several catalyst features, related not only to the metal-oxide phase—responsible for CO2 activation/hydrogenation—but also to specific properties of the zeolites (i.e., topology, porosity, specific surface area, acidity, interaction with active metals, distributions of metal particles, … influencing activity and stability of hybridized bifunctional heterogeneous catalysts. All these aspects are discussed in details, summarizing recent achievements in this research field.

  6. Study on combustion characteristics of dimethyl ether under the moderate or intense low-oxygen dilution condition

    International Nuclear Information System (INIS)

    Kang, Yinhu; Lu, Tianfeng; Lu, Xiaofeng; Wang, Quanhai; Huang, Xiaomei; Peng, Shini; Yang, Dong; Ji, Xuanyu; Song, Yangfan

    2016-01-01

    Highlights: • Oxygen content in the flame base increased due to the prolonged ignition delay time. • Flow field in the furnace affected thermal/chemical structure of the flame partially. • Preheating and dilution facilitated moderate or intense low-oxygen dilution regime. • Dominant pollutant formation ways of dimethyl ether in hot dilution were clarified. • Preheating and dilution reduced nitrogen oxide emission of dimethyl ether. - Abstract: Experiments and numerical simulations were conducted in this paper to study the combustion behavior of dimethyl ether in the moderate or intense low-oxygen dilution regime, in terms of thermal/chemical structure and chemical kinetics associated with nitrogen oxide and carbon monoxide emissions. Several co-flow temperatures and oxygen concentrations were involved in the experiments to investigate their impacts on the flame behavior systematically. The results show that in the moderate or intense low-oxygen dilution regime, oxygen concentrations in the flame base slightly increased because of the prolonged ignition delay time of the reactant mixture due to oxidizer dilution, which changed the local combustion process and composition considerably. The oxidation rates of hydrocarbons were significantly depressed in the moderate or intense low-oxygen dilution regime, such that a fraction of unburned hydrocarbons at the furnace outlet were recirculated into the outer annulus of the furnace, which changed the local radial profiles of carbon monoxide, methane, and hydrogen partially. Moreover, with the increment in co-flow temperature or oxygen mole fraction, flame temperature, and hydroxyl radical, carbon monoxide, and hydrogen mole fractions across the reaction zone increased gradually. For the dimethyl ether-moderate or intense low-oxygen dilution flame, temperature homogeneity was improved at higher co-flow temperature or lower oxygen mole fraction. The carbon monoxide emission depended on the levels of temperature and

  7. Hail hydrogen

    International Nuclear Information System (INIS)

    Hairston, D.

    1996-01-01

    After years of being scorned and maligned, hydrogen is finding favor in environmental and process applications. There is enormous demand for the industrial gas from petroleum refiners, who need in creasing amounts of hydrogen to remove sulfur and other contaminants from crude oil. In pulp and paper mills, hydrogen is turning up as hydrogen peroxide, displacing bleaching agents based on chlorine. Now, new technologies for making hydrogen have the industry abuzz. With better capabilities of being generated onsite at higher purity levels, recycled and reused, hydrogen is being prepped for a range of applications, from waste reduction to purification of Nylon 6 and hydrogenation of specialty chemicals. The paper discusses the strong market demand for hydrogen, easier routes being developed for hydrogen production, and the use of hydrogen in the future

  8. Synthesis of dimethyl-1,1 guanylguanidine-{sup 14}C-2,4 (dimethyl-1-1 biguanide) hydrochloride; Synthese du chlorhydrate de dimethyl-1,1 guanylguanidine {sup 14}C-2,4 (dimethyl-1-1 biguanide)

    Energy Technology Data Exchange (ETDEWEB)

    Herbert, M; Pichat, L [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1961-07-01

    A description of the synthesis of dimethyl-1,1 guanylguanidine-{sup 14}C-2,4 hydrochloride passing through the {sup 14}C{sub 2} dicyandiamide. The overall yield with respect to Ba{sup 14}CO{sub 3} is 38 per cent. (author) [French] Description de la synthese du chlorhydrate de dimethyl-1,1 guanylguanidine {sup 14}C-2,4 par l'intermediaire de la dicyandiamide {sup 14}C{sub 2}. Le rendement global par rapport a {sup 14}CO{sub 3}Ba est de 38 pour cent. (auteur)

  9. Stable isotope dimethyl labelling for quantitative proteomics and beyond

    Science.gov (United States)

    Hsu, Jue-Liang; Chen, Shu-Hui

    2016-01-01

    Stable-isotope reductive dimethylation, a cost-effective, simple, robust, reliable and easy-to- multiplex labelling method, is widely applied to quantitative proteomics using liquid chromatography-mass spectrometry. This review focuses on biological applications of stable-isotope dimethyl labelling for a large-scale comparative analysis of protein expression and post-translational modifications based on its unique properties of the labelling chemistry. Some other applications of the labelling method for sample preparation and mass spectrometry-based protein identification and characterization are also summarized. This article is part of the themed issue ‘Quantitative mass spectrometry’. PMID:27644970

  10. 1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H-one–4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] (1/1

    Directory of Open Access Journals (Sweden)

    Krzysztof Lyczko

    2013-01-01

    Full Text Available The asymmetric unit of the title compound, C11H12N2O·C25H28N4O2, contains two different molecules. The smaller is known as antipyrine [systematic name: 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] and the larger is built up from two antypirine molecules which are connected through a C atom of the pyrazolone ring to a central propanyl part [systematic name: 4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one]. Intramolecular C—H...O hydrogen bonds occur in the latter molecule. In the crystal, C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001.

  11. Decryptification of Acid Phosphatase in Arthrospores of Geotrichum Species Treated with Dimethyl Sulfoxide and Acetone

    Science.gov (United States)

    Cotter, David A.; Martel, Anita J.; MacDonald, Paul

    1975-01-01

    Decryptification of acid phosphatase in Geotrichum sp. arthrospores was accomplished using acetone or dimethyl sulfoxide treatment. Both dimethyl sulfoxide and acetone irreversibly destroyed the integrity of the spore membranes without solubilizing acid phosphatase. PMID:1167386

  12. Hydrogen detector

    International Nuclear Information System (INIS)

    Kumagaya, Hiromichi; Yoshida, Kazuo; Sanada, Kazuo; Chigira, Sadao.

    1994-01-01

    The present invention concerns a hydrogen detector for detecting water-sodium reaction. The hydrogen detector comprises a sensor portion having coiled optical fibers and detects hydrogen on the basis of the increase of light transmission loss upon hydrogen absorption. In the hydrogen detector, optical fibers are wound around and welded to the outer circumference of a quartz rod, as well as the thickness of the clad layer of the optical fiber is reduced by etching. With such procedures, size of the hydrogen detecting sensor portion can be decreased easily. Further, since it can be used at high temperature, diffusion rate is improved to shorten the detection time. (N.H.)

  13. Migratory Insertion of Hydrogen Isocyanide in the Pentacyano(methyl)cobaltate(III) Anion

    DEFF Research Database (Denmark)

    Kofod, Pauli; Harris, Pernille Hanne; Larsen, Sine

    2003-01-01

    The preparation of the pentacyano(iminiumacetyl)cobaltate(III) anion and its N-methyl and N,N-dimethyl derivatives is reported. The iminiumacetyl group is formed by migratory insertion of cis hydrogen isocyanide in the pentacyano(methyl)cobaltate(III) anion. The new compounds have been spectrosco......The preparation of the pentacyano(iminiumacetyl)cobaltate(III) anion and its N-methyl and N,N-dimethyl derivatives is reported. The iminiumacetyl group is formed by migratory insertion of cis hydrogen isocyanide in the pentacyano(methyl)cobaltate(III) anion. The new compounds have been...

  14. Aquabis(3,5-dimethyl-1H-pyrazole-κN(oxalato-κ2O,O′copper(II

    Directory of Open Access Journals (Sweden)

    Andrii I. Buvailo

    2008-01-01

    Full Text Available In the title compound, [Cu(C2O4(C5H8N22(H2O], the CuII atom is coordinated in a slightly distorted square-pyramidal geometry by two N atoms belonging to the two 3,5-dimethyl-1H-pyrazole ligands, two O atoms of the oxalate anion providing an O,O′-chelating coordination mode, and an O atom of the water molecule occupying the apical position. The crystal packing shows a well defined layer structure. Intra-layer connections are realised through a system of hydrogen bonds while the nature of the inter-layer interactions is completely hydrophobic, including no hydrogen-bonding interactions.

  15. Synthesis and fluorescence study of sodium-2-(4'-dimethyl-aminocinnamicacyl)-3,3-(1',3'-alkylenedithio) acrylate

    International Nuclear Information System (INIS)

    Si Zhenjun; Shao Yun; Li Chunxia; Liu Qun

    2007-01-01

    We synthesized two new compounds: Sodium 2-(4'-dimethyl-aminocinnamicacyl)-3,3-(1',3'- ethyl- enedithio) acrylate (STAA-1) and Sodium 2-(4'-dimethyl-aminocinnamicacyl)-3, 3-(1',3'-propylenedithio) acrylate (STAA-2). The maximum absorption of these compounds ranges from 460 to 520 nm with different molecular structures in different solvents. Meanwhile, the emission peak of these compounds arranges from yellow (510 nm) to red (605 nm). The emission spectra show red shift according to the strength of the hydrogen bonding property of the solvent. But the absorption spectra do not show clearly relationship with the strength of the hydrogen bonding property of the solvent. The Stoke shift of the compounds ranges from 42 to 102 nm. It changes in the following order, EtOH>H 2 O>DMF, and STAA-1>STAA-2 in the same solvent. The fluorescent quantum yield of STAA-1 was measured to be 7.12% with quinine sulphate as the standard compound in ethanol. Furthermore, the relationship of the fluorescence of STAA-1 with pH (ranges form 4 to 14) in water (c=∼10 -4 ) was studied to make sure that these compounds could be used as proton sensors

  16. Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Boda, Łukasz, E-mail: lboda@chemia.uj.edu.pl; Boczar, Marek; Gług, Maciej; Wójcik, Marek J. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków (Poland)

    2015-11-28

    Interaction energies, molecular structure and vibrational frequencies of the binary complex formed between H(D)Cl and dimethyl ether have been obtained using quantum-chemical methods. Equilibrium and vibrationally averaged structures, harmonic and anharmonic wavenumbers of the complex and its deuterated isotopomer were calculated using harmonic and anharmonic second-order perturbation theory procedures with Density Functional Theory B3LYP and B2PLYP-D and ab initio Møller-Plesset second-order methods, and a 6-311++G(3d,3p) basis set. A phenomenological model describing anharmonic-type vibrational couplings within hydrogen bonds was developed to explain the unique broadening and fine structure, as well as the isotope effect of the Cl–H and Cl–D stretching IR absorption bands in the gaseous complexes with dimethyl ether, as an effect of hydrogen bond formation. Simulations of the rovibrational structure of the Cl–H and Cl–D stretching bands were performed and the results were compared with experimental spectra.

  17. Preparation and characterization of Ni based on natural zeolite catalyst for citronellol conversion to 3,7-Dimethyl-1-Octanol

    Science.gov (United States)

    Sudiyarmanto, Hidayati, Luthfiana N.; Kristiani, Anis; Ghaisani, Almira; Sukandar, Dede; Adilina, Indri B.; Tursiloadi, Silvester

    2017-11-01

    Citronella oil is a kind of essential oil that contains three main components, namely citronellal, citronellol, and geraniol. The high demand of citronellal and geraniol derivative prompted scientists to develop methods which are stereo-selective synthesis. A hydrogenation reaction using heterogeneous catalyst is one way of synthesis of citronella oil derivatives. In this research, synthesis of citronellol oil derivatives using Ni based on natural zeolite (Ni/ZAB) catalyst which is expected to produce the compound of 3,7-dimethyl-1-octanol. The catalyst was prepared by supporting Ni on natural zeolite by impregnation method. The physical and chemical properties of Ni/ZAB catalyst have been characterized by TGA, BET, XRD and FTIR instrumentations. Variation of pressure and temperature reactions were conducted to determine the optimum conditions for the hydrogenation of citronellol. The products from this reaction were analyzed using GC-MS instrumentation. The yield and selectivity of 3,7-dimethyl-1-octanol compound were achieved with optimum conditions at 200°C and 20 bar during 3 hours which produced around 51.97% and 47.81% respectively.

  18. 40 CFR 721.6167 - Piperdinium, 1,1-dimethyl-, chloride.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Piperdinium, 1,1-dimethyl-, chloride... Substances § 721.6167 Piperdinium, 1,1-dimethyl-, chloride. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as piperdinium, 1,1-dimethyl-, chloride. (PMN...

  19. Hydrogen highway

    International Nuclear Information System (INIS)

    Anon

    2008-01-01

    The USA Administration would like to consider the US power generating industry as a basis ensuring both the full-scale production of hydrogen and the widespread use of the hydrogen related technological processes into the economy [ru

  20. Recommended vapor pressures for thiophene, sulfolane, and dimethyl sulfoxide

    Czech Academy of Sciences Publication Activity Database

    Fulem, Michal; Růžička, K.; Růžička, M.

    2011-01-01

    Roč. 303, č. 2 (2011), s. 205-216 ISSN 0378-3812 Institutional research plan: CEZ:AV0Z10100521 Keywords : thiophene sulfolane * dimethyl sulfoxide * vapor pressure * heat capacity * vaporization enthalpy * recommended vapor pressure equation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.139, year: 2011

  1. Dimethyl ether in diesel engines - progress and perspectives

    DEFF Research Database (Denmark)

    Sorenson, Spencer C

    2001-01-01

    A review of recent developments related to the use of dimethyl ether (DME) in engines is presented Research work discussed is in the areas of engine performance and emissions, fuel injection systems, spray and ignition delay, and detailed chemical kinetic modeling. DME's properties and safety asp...

  2. Fixation of carbon dioxide into dimethyl carbonate over ...

    Science.gov (United States)

    A titanium-based zeolitic thiophene-benzimidazolate framework has been designed for the direct synthesis of dimethyl carbonate (DMC) from methanol and carbon dioxide. The developed catalyst activates carbon dioxide and delivers over 16% yield of DMC without the use of any dehydrating agent or requirement for azeotropic distillation. Prepared for submission to Nature Scientific reports.

  3. Fosfitos para o controle de podridões pós-colheita em maçãs ‘Fuji’ durante o armazenamento refrigerado Use of phosphites for rot control during cold storage of ‘Fuji’ apples

    Directory of Open Access Journals (Sweden)

    Auri Brackmann

    2004-08-01

    Full Text Available Foi conduzido um experimento com o objetivo de avaliar o efeito da aplicação de adubos foliares contendo fosfitos de potássio e fosfitos de cálcio mais boro sobre o controle de podridões em maçãs ‘Fuji’ durante a frigoconservação. O delineamento experimental utilizado foi o inteiramente casualizado com quatro repetições de 25 frutos. Foram realizadas quatro lesões distribuídas de forma eqüidistante na região equatorial dos frutos, com 3mm de diâmetro e 5mm de profundidade. Os frutos foram submersos em uma solução com suspensão de esporos, onde permaneceram por 20 segundos. Após, foram aplicados os tratamentos: 1 - Testemunha (água; 2 - Iprodione (75g 100L-1; 3 - cloreto de cálcio( CaCl2 a 2%; 4 - fosfito de potássio (250mL 100L-1 + CaCl2 (2%; 5 - fosfito de potássio (250mL 100L-1; 6 - fosfito de cálcio mais boro (300mL 100L-1; e 7 - fosfito de potássio (250mL 100L-1 na suspensão de esporos por uma hora. Os frutos foram armazenados em ambiente refrigerado à temperatura de 0°C durante 14 dias. As avaliações foram realizadas na saída da câmara e aos 2, 4, 6 e 8 dias a 20°C. Verificou-se que os frutos tratados com fosfito de potássio (250mL 100L-1 + CaCl2 (2% apresentaram a menor incidência de podridões e o menor diâmetro de lesão. Esses resultados foram semelhantes aos obtidos com a aplicação do fungicida padrão Iprodione e superiores à aplicação de fosfito de potássio isoladamente. O uso de fosfito de cálcio mais boro não foi eficiente.This experiment aimed to evaluate the effectiveness of potassium (K phosphite and calcium (Ca + borum (B phosphite to control rot during cold storage of ‘Fuji’ apples. Four equidistant lesions were made in the central region of the fruits, measuring 5mm wide and 3mm deep. After the treatments, fruits were submerged for 20 seconds in a spore suspension, except for the last treatment, in wich the immersion lasted one hour. The treatments were as follow: 1

  4. Effects of dimethyl fumarate on neuroprotection and immunomodulation

    Directory of Open Access Journals (Sweden)

    Albrecht Philipp

    2012-07-01

    Full Text Available Abstract Background Neuronal degeneration in multiple sclerosis has been linked to oxidative stress. Dimethyl fumarate is a promising novel oral therapeutic option shown to reduce disease activity and progression in patients with relapsing-remitting multiple sclerosis. These effects are presumed to originate from a combination of immunomodulatory and neuroprotective mechanisms. We aimed to clarify whether neuroprotective concentrations of dimethyl fumarate have immunomodulatory effects. Findings We determined time- and concentration-dependent effects of dimethyl fumarate and its metabolite monomethyl fumarate on viability in a model of endogenous neuronal oxidative stress and clarified the mechanism of action by quantitating cellular glutathione content and recycling, nuclear translocation of transcription factors, and the expression of antioxidant genes. We compared this with changes in the cytokine profiles released by stimulated splenocytes measured by ELISPOT technology and analyzed the interactions between neuronal and immune cells and neuronal function and viability in cell death assays and multi-electrode arrays. Our observations show that dimethyl fumarate causes short-lived oxidative stress, which leads to increased levels and nuclear localization of the transcription factor nuclear factor erythroid 2-related factor 2 and a subsequent increase in glutathione synthesis and recycling in neuronal cells. Concentrations that were cytoprotective in neuronal cells had no negative effects on viability of splenocytes but suppressed the production of proinflammatory cytokines in cultures from C57BL/6 and SJL mice and had no effects on neuronal activity in multi-electrode arrays. Conclusions These results suggest that immunomodulatory concentrations of dimethyl fumarate can reduce oxidative stress without altering neuronal network activity.

  5. Nucleophilic Substitution Reactions of N-Methyl α-Bromoacetanilides with Benzylamines in Dimethyl Sulfoxide

    International Nuclear Information System (INIS)

    Adhikary, Keshab Kumar; Lee, Hai Whang

    2011-01-01

    Kinetic studies of the reactions of N-methyl-Y-α-bromoacetanilides with substituted X-benzylamines have been carried out in dimethyl sulfoxide at 25.0 .deg. C. The Hammett plots for substituent X variations in the nucleophiles (log k N vs σ X ) are slightly biphasic concave upwards/downwards, while the Bronsted plots (log k N vs pK a ) are biphasic concave downwards with breakpoints at X = H. The Hammett plots for substituent Y variations in the substrates (log k N vs σ Y ) are biphasic concave upwards/downwards with breakpoints at Y = H. The cross-interaction constant ρ XY values are all negative: ρ XY = -0.32 for X = Y = electron-donating: -0.22 for X = electron-withdrawing and Y = electron-donating: -1.80 for X = electron-donating and Y = electronwithdrawing: -1.43 for X = Y = electron-withdrawing substituents. Deuterated kinetic isotope effects are primary normal (k H /k D > 1) for Y = electron-donating, while secondary inverse (k H /k D < 1) for Y = electronwithdrawing substituent. The proposed mechanisms of the benzylaminolyses of N-methyl-Y-α-bromoacetanilides are a concerted mechanism with a five membered ring TS involving hydrogen bonding between hydrogen (deuterium) atom in N-H(D) and oxygen atom in C = O for Y = electron-donating, while a concerted mechanism with an enolate-like TS in which the nucleophile attacks the α-carbon for Y = electronwithdrawing substituents

  6. Reaction of 3-Amino-1,2,4-Triazole with Diethyl Phosphite and Triethyl Orthoformate: Acid-Base Properties and Antiosteoporotic Activities of the Products

    Directory of Open Access Journals (Sweden)

    Patrycja Miszczyk

    2017-02-01

    Full Text Available The reaction of diethyl phosphite with triethyl orthoformate and a primary amine followed by hydrolysis is presented, and the reaction was suitable for the preparation of (aminomethylenebisphosphonates. 3-Amino-1,2,4-triazole was chosen as an interesting substrate for this reaction because it possesses multiple groups that can serve as the amino component in the reaction—namely, the side-chain and triazole amines. This substrate readily forms 1,2,4-triazolyl-3-yl-aminomethylenebisphosphonic acid (compound 1 as a major product, along with N-ethylated bisphosphonates as side products. The in vitro antiproliferative effects of the synthesized aminomethylenebisphosphonic acids against J774E macrophages were determined. These compounds exhibit similar activity to zoledronic acid and higher activity than incadronic acid.

  7. Reaction of 3-Amino-1,2,4-Triazole with Diethyl Phosphite and Triethyl Orthoformate: Acid-Base Properties and Antiosteoporotic Activities of the Products.

    Science.gov (United States)

    Miszczyk, Patrycja; Wieczorek, Dorota; Gałęzowska, Joanna; Dziuk, Błażej; Wietrzyk, Joanna; Chmielewska, Ewa

    2017-02-08

    The reaction of diethyl phosphite with triethyl orthoformate and a primary amine followed by hydrolysis is presented, and the reaction was suitable for the preparation of (aminomethylene)bisphosphonates. 3-Amino-1,2,4-triazole was chosen as an interesting substrate for this reaction because it possesses multiple groups that can serve as the amino component in the reaction-namely, the side-chain and triazole amines. This substrate readily forms 1,2,4-triazolyl-3-yl-aminomethylenebisphosphonic acid (compound 1 ) as a major product, along with N -ethylated bisphosphonates as side products. The in vitro antiproliferative effects of the synthesized aminomethylenebisphosphonic acids against J774E macrophages were determined. These compounds exhibit similar activity to zoledronic acid and higher activity than incadronic acid.

  8. Crystal structure of (NH4)2[Fe(II) 5(HPO3)6], a new open-framework phosphite.

    Science.gov (United States)

    Berrocal, Teresa; Mesa, Jose Luis; Larrea, Edurne; Arrieta, Juan Manuel

    2014-11-01

    Di-ammonium hexa-phosphito-penta-ferrate(II), (NH4)2[Fe5(HPO3)6], was synthesized under mild hydro-thermal conditions and autogeneous pressure, yielding twinned crystals. The crystal structure exhibits an [Fe(II) 5(HPO3)6](2-) open framework with NH4 (+) groups as counter-cations. The anionic skeleton is based on (001) sheets of [FeO6] octa-hedra (one with point-group symmetry 3.. and one with .2.) linked along [001] through [HPO3](2-) oxoanions. Each sheet is constructed from 12-membered rings of edge-sharing [FeO6] octa-hedra, giving rise to channels with a radius of ca 3.1 Å in which the disordered NH4 (+) cations are located. The IR spectrum shows vibrational bands typical for phosphite and ammonium groups.

  9. Hydrogen economy

    Energy Technology Data Exchange (ETDEWEB)

    Pahwa, P.K.; Pahwa, Gulshan Kumar

    2013-10-01

    In the future, our energy systems will need to be renewable and sustainable, efficient and cost-effective, convenient and safe. Hydrogen has been proposed as the perfect fuel for this future energy system. The availability of a reliable and cost-effective supply, safe and efficient storage, and convenient end use of hydrogen will be essential for a transition to a hydrogen economy. Research is being conducted throughout the world for the development of safe, cost-effective hydrogen production, storage, and end-use technologies that support and foster this transition. This book discusses hydrogen economy vis-a-vis sustainable development. It examines the link between development and energy, prospects of sustainable development, significance of hydrogen energy economy, and provides an authoritative and up-to-date scientific account of hydrogen generation, storage, transportation, and safety.

  10. Proteomics analysis suggests broad functional changes in potato leaves triggered by phosphites and a complex indirect mode of action against Phytophthora infestans.

    Science.gov (United States)

    Lim, Sanghyun; Borza, Tudor; Peters, Rick D; Coffin, Robert H; Al-Mughrabi, Khalil I; Pinto, Devanand M; Wang-Pruski, Gefu

    2013-11-20

    Phosphite (salts of phosphorous acid; Phi)-based fungicides are increasingly used in controlling oomycete pathogens, such as the late blight agent Phytophthora infestans. In plants, low amounts of Phi induce pathogen resistance through an indirect mode of action. We used iTRAQ-based quantitative proteomics to investigate the effects of phosphite on potato plants before and after infection with P. infestans. Ninety-three (62 up-regulated and 31 down-regulated) differentially regulated proteins, from a total of 1172 reproducibly identified proteins, were identified in the leaf proteome of Phi-treated potato plants. Four days post-inoculation with P. infestans, 16 of the 31 down-regulated proteins remained down-regulated and 42 of the 62 up-regulated proteins remained up-regulated, including 90% of the defense proteins. This group includes pathogenesis-related, stress-responsive, and detoxification-related proteins. Callose deposition and ultrastructural analyses of leaf tissues after infection were used to complement the proteomics approach. This study represents the first comprehensive proteomics analysis of the indirect mode of action of Phi, demonstrating broad effects on plant defense and plant metabolism. The proteomics data and the microscopy study suggest that Phi triggers a hypersensitive response that is responsible for induced resistance of potato leaves against P. infestans. Phosphie triggers complex functional changes in potato leaves that are responsible for the induced resistance against Phytophthora infestans. This article is part of a Special Issue entitled: Translational Plant Proteomics. Copyright © 2013 Elsevier B.V. All rights reserved.

  11. ptxD gene in combination with phosphite serves as a highly effective selection system to generate transgenic cotton (Gossypium hirsutum L.).

    Science.gov (United States)

    Pandeya, Devendra; Campbell, LeAnne M; Nunes, Eugenia; Lopez-Arredondo, Damar L; Janga, Madhusudhana R; Herrera-Estrella, Luis; Rathore, Keerti S

    2017-12-01

    This report demonstrates the usefulness of ptxD/phosphite as a selection system that not only provides a highly efficient and simple means to generate transgenic cotton plants, but also helps address many of the concerns related to the use of antibiotic and herbicide resistance genes in the production of transgenic crops. Two of the most popular dominant selectable marker systems for plant transformation are based on either antibiotic or herbicide resistance genes. Due to concerns regarding their safety and in order to stack multiple traits in a single plant, there is a need for alternative selectable marker genes. The ptxD gene, derived from Pseudomonas stutzeri WM88, that confers to cells the ability to convert phosphite (Phi) into orthophosphate (Pi) offers an alternative selectable marker gene as demonstrated for tobacco and maize. Here, we show that the ptxD gene in combination with a protocol based on selection medium containing Phi, as the sole source of phosphorus (P), can serve as an effective and efficient system to select for transformed cells and generate transgenic cotton plants. Fluorescence microscopy examination of the cultures under selection and molecular analyses on the regenerated plants demonstrate the efficacy of the system in recovering cotton transformants following Agrobacterium-mediated transformation. Under the ptxD/Phi selection, an average of 3.43 transgenic events per 100 infected explants were recovered as opposed to only 0.41% recovery when bar/phosphinothricin (PPT) selection was used. The event recovery rates for nptII/kanamycin and hpt/hygromycin systems were 2.88 and 2.47%, respectively. Molecular analysis on regenerated events showed a selection efficiency of ~ 97% under the ptxD/Phi system. Thus, ptxD/Phi has proven to be a very efficient, positive selection system for the generation of transgenic cotton plants with equal or higher transformation efficiencies compared to the commonly used, negative selection systems.

  12. Uptake of some lanthanides on γ-zirconium phosphate-phosphite and its 1,10-phenanthroline and 2,2-bipyridyl intercalated products

    International Nuclear Information System (INIS)

    Shakshooki, S.K.; El Hanash, H.B.; El-Mehdawi, R.M.; El-Mellah, M.A.; Arafa, E.A.; Bejey, A.M.

    1999-01-01

    γ-zirconium phosphate-phosphite, γ-Zr x PO 4 x H 2 PO 3 x 2H 2 O, (γ-ZrPP), was prepared and characterized. Direct treatment of γ-zirconium phosphate-phosphite with an ethanol solution of 0.1M 1,10-phenanthrolin and 2,2'-bipyridyl gave the well defined composites, γ-Zr x PO 4 x H 2 PO 3 (phen) 0.15 x H 2 O and γ-Zr x PO 4 x H 2 PO 3 (bipy) 0.18 x 0.6H 2 O respectively. K d values of a mixture of lanthanide ions: La 3+ , Sm 3+ , Eu 3+ and Yb 3+ for the intercalated products and for γ-ZrPP in HNO 3 solution at room temperature and at pH 2 and 4 were determined by a radiotracer technique. 140 La, 152m Eu, 153 Sm and 175 Yb radioisotopes were used for the equilibration experiment using 500 μl (4.0 x 10 -5 mmole) each of the solutions of the tracers as a mixture in 7.5 M HNO 3 solution at the desired pH with 0.1 g of γ-ZrPP and of the intercalated products. The selectivity order was found to be dependent on the nature of the ligand and on the pH. The 2,2'-bipyridyl product possesses, at pH 2 in general, a high K d value, specially for Sm 3+ (9815.9) compared to that of the 1,10-phenanthrolin product (3375.5) and to γ-ZrPP (419.8). This could be attributed to partial deintercalation of the 2,2' -bipyridyl at pH 2 and increasing of ionogenic groups. (author)

  13. Mobility and Molecular Ions of Dimethyl Methyl Phosphonate, Methyl Salicylate, and Acetone.

    Science.gov (United States)

    1983-06-01

    Plasma Chromatography, is an analytical technique used to detect, identify, and quantify trace quantities of organic vapors in gaseous mixtures. IMS is...work has shown excellent detection sensitivity for trace quantities of pesticides,𔃻 TNT,2 nickel carbonyl , and phosphorus esters." Extensive work by...vacuum distilled at 4 torr to remove phosphite and other impurities. The acetone was ACS grade from laboratory stock. The methyl salicylate was ob

  14. Solubility of nicotinic acid in water, ethanol, acetone, diethyl ether, acetonitrile, and dimethyl sulfoxide

    International Nuclear Information System (INIS)

    Gonçalves, Elsa M.; Minas da Piedade, Manuel E.

    2012-01-01

    Highlights: ► We determined the solubility of nicotinic acid in six solvents by the gravimetric method. ► We found that, regardless of the solvent, the same monoclinic solid phase was in equilibrium with the solution. ► We determined the activity coefficients of nicotinic acid in the six solvents. ► We found that the solubility trends seem to be determined by the polarity and polarizability of the solvent. - Abstract: The mole fraction equilibrium solubility of nicotinic acid in six solvents (water, ethanol, dimethyl sulfoxide, acetone, acetonitrile and diethyl ether) differing in polarity, polarizability, and hydrogen-bonding ability, was determined over the temperature range (283 to 333) K, using the gravimetric method. The results obtained led to the solubility order dimethyl sulfoxide (DMSO) ≫ ethanol > water > acetone > diethyl ether > acetonitrile. An analysis based on various solvent descriptors, indicated that this trend seems to be mainly determined by the polarity and polarizability of the solvent. The activity coefficients of nicotinic acid in the different solvents, under saturation conditions, were determined as a function of the temperature and it was found that DMSO exhibits enhanced solubility relative to an ideal solution while the opposite is observed for all other solvents. Both the solvent and the fact that nicotinic acid is primarily zwitterionic in aqueous solution and non-zwitterionic in non-aqueous media, did not affect the nature of the solid phases in equilibrium with the different solutions. Indeed, X-ray powder diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and differential scanning calorimetry analysis indicated that, despite some differences in particle size and morphology, the starting material and the solid products obtained at the end of the solubility studies in the six solvents used in this work were all crystalline and corresponded to the same monoclinic phase.

  15. Hydrogen safety

    International Nuclear Information System (INIS)

    Frazier, W.R.

    1991-01-01

    The NASA experience with hydrogen began in the 1950s when the National Advisory Committee on Aeronautics (NACA) research on rocket fuels was inherited by the newly formed National Aeronautics and Space Administration (NASA). Initial emphasis on the use of hydrogen as a fuel for high-altitude probes, satellites, and aircraft limited the available data on hydrogen hazards to small quantities of hydrogen. NASA began to use hydrogen as the principal liquid propellant for launch vehicles and quickly determined the need for hydrogen safety documentation to support design and operational requirements. The resulting NASA approach to hydrogen safety requires a joint effort by design and safety engineering to address hydrogen hazards and develop procedures for safe operation of equipment and facilities. NASA also determined the need for rigorous training and certification programs for personnel involved with hydrogen use. NASA's current use of hydrogen is mainly for large heavy-lift vehicle propulsion, which necessitates storage of large quantities for fueling space shots and for testing. Future use will involve new applications such as thermal imaging

  16. Hydrogen Embrittlement

    Science.gov (United States)

    Woods, Stephen; Lee, Jonathan A.

    2016-01-01

    Hydrogen embrittlement (HE) is a process resulting in a decrease in the fracture toughness or ductility of a metal due to the presence of atomic hydrogen. In addition to pure hydrogen gas as a direct source for the absorption of atomic hydrogen, the damaging effect can manifest itself from other hydrogen-containing gas species such as hydrogen sulfide (H2S), hydrogen chloride (HCl), and hydrogen bromide (HBr) environments. It has been known that H2S environment may result in a much more severe condition of embrittlement than pure hydrogen gas (H2) for certain types of alloys at similar conditions of stress and gas pressure. The reduction of fracture loads can occur at levels well below the yield strength of the material. Hydrogen embrittlement is usually manifest in terms of singular sharp cracks, in contrast to the extensive branching observed for stress corrosion cracking. The initial crack openings and the local deformation associated with crack propagation may be so small that they are difficult to detect except in special nondestructive examinations. Cracks due to HE can grow rapidly with little macroscopic evidence of mechanical deformation in materials that are normally quite ductile. This Technical Memorandum presents a comprehensive review of experimental data for the effects of gaseous Hydrogen Environment Embrittlement (HEE) for several types of metallic materials. Common material screening methods are used to rate the hydrogen degradation of mechanical properties that occur while the material is under an applied stress and exposed to gaseous hydrogen as compared to air or helium, under slow strain rates (SSR) testing. Due to the simplicity and accelerated nature of these tests, the results expressed in terms of HEE index are not intended to necessarily represent true hydrogen service environment for long-term exposure, but rather to provide a practical approach for material screening, which is a useful concept to qualitatively evaluate the severity of

  17. The solvent effects on dimethyl phthalate investigated by FTIR characterization, solvent parameter correlation and DFT computation

    Science.gov (United States)

    Chen, Yi; Zhang, Hui; Zhou, Wenzhao; Deng, Chao; Liao, Jian

    2018-06-01

    This study set out with the aim of investigating the solvent effects on dimethyl phthalate (DMP) using FTIR characterization, solvent parameter correlation and DFT calculation. DMP exposed to 17 organic solvents manifested varying shift in the carbonyl stretching vibration frequency (νCdbnd O). Non-alkanols induced Band I and alkanols produced Band I and Band II. Through correlating the νCdbnd O with the empirical solvent scales including acceptor parameter (AN), Schleyer's linear free energy parameter (G), and linear free salvation energy relationships (LSER), Band I was mainly ascribed to non-specific effects from either non-alkanols or alkanol polymers ((alkanol)n). νCdbnd O of the latter indicated minor red shift and less variability compared to the former. An assumption was made and validated about the sequestering of hydroxyl group by the bulky hydrophobic chain in (alkanol)n, creating what we refer to as "screening effects". Ab initio calculation, on the other hand, provided insights for possible hydrogen binding between DMP and (ethanol)n or between ethanol monomers. The two components of Band I observed in inert solvents were assigned to the two Cdbnd O groups adopting differentiated conformations. This in turn prompted our consideration that hydrogen binding was highly selective in favor of lowly associated (alkanol)n and the particular Cdbnd O group having relatively less steric hindrance and stronger electron-donating capacity. Band II was therefore believed to derive from hydrogen-bond interactions mainly in manner of 1:1 and 1:2 DMP-(alkanol)n complexes.

  18. A novel layered bimetallic phosphite intercalating with organic amines: Synthesis and characterization of Co(H2O)4Zn4(HPO3)6.C2N2H1

    International Nuclear Information System (INIS)

    Lin Zhien; Fan Wei; Gao Feifei; Chino, Naotaka; Yokoi, Toshiyuki; Okubo, Tatsuya

    2006-01-01

    A new layered cobalt-zinc phosphite, Co(H 2 O) 4 Zn 4 (HPO 3 ) 6 .C 2 N 2 H 1 has been synthesized in the presence of ethylenediamine as the structure-directing agent. The compound crystallizes in the monoclinic system, space group Cc (No. 9), a=18.2090(8), b=9.9264(7), c=15.4080(7) A, β=114.098(4) o , V=2542.3(2) A 3 , Z=4, R=0.0323, wR=0.0846. The structure consists of ZnO 4 tetrahedra, CoO 6 octahedra and HPO 3 pseudopyramids through their vertices forming bimetallic phosphite layers parallel to the ab plane. Organic cations, which reside between the inorganic layers, are mobile and can be exchanged by NH 4 + cations without the collapse of the framework

  19. Synthesis, structure and magnetic behavior of a new three-dimensional Manganese phosphite-oxalate: [C2N2H10][Mn2II(OH2)2(HPO3)2(C2O4)

    International Nuclear Information System (INIS)

    Ramaswamy, Padmini; Mandal, Sukhendu; Natarajan, Srinivasan

    2009-01-01

    A novel manganese phosphite-oxalate, [C 2 N 2 H 10 ][Mn 2 II (OH 2 ) 2 (HPO 3 ) 2 (C 2 O 4 )] has been hydothermally synthesized and its structure determined by single-crystal X-ray diffraction. The structure consists of neutral manganese phosphite layers, [Mn(HPO 3 )] ∞ , formed by MnO 6 octahedra and HPO 3 units, cross-linked by the oxalate moieties. The organic cations occupy the middle of the 8-membered one-dimensional channels. Magnetic studies indicate weak antiferromagnetic interactions between the Mn 2+ ions. - Abstract: A new antiferromagnetic three-dimensional inorganic-organic hybrid compound, [C 2 N 2 H 10 ][Mn 2 II (OH 2 ) 2 (HPO 3 ) 2 (C 2 O 4 )] has been prepared hydrothermally. The compound has neutral manganese layers pillared by oxalate units. The neutral manganese layers are shown here. Display Omitted

  20. Radioprotection by dimethyl sulfoxide on two biological system

    International Nuclear Information System (INIS)

    Bernardes, D.M.L.; Villavicencio, A.L.C.H.; Del Mastro, N.L.

    1990-01-01

    The effects of dimethyl sulfoxide treatment on two biological systems are examined: a) In vivo, the level of albinic mouse survive from IPEN, when irradiated with 9 Gy of 60 Co., 1 hour after the injection ip of DMSO 0,025M. b) In vivo, molecular level, when DMSO 1M, is added 10 min. before the irradiation with 25.000 Gy of 60 Co, from an aqueous solution of proteins from crystalline bovine. (C.G.C.) [pt

  1. Hydrogen millennium

    International Nuclear Information System (INIS)

    Bose, T.K.; Benard, P.

    2000-05-01

    The 10th Canadian Hydrogen Conference was held at the Hilton Hotel in Quebec City from May 28 to May 31, 2000. The topics discussed included current drivers for the hydrogen economy, the international response to these drivers, new initiatives, sustainable as well as biological and hydrocarbon-derived production of hydrogen, defense applications of fuel cells, hydrogen storage on metal hydrides and carbon nanostructures, stationary power and remote application, micro-fuel cells and portable applications, marketing aspects, fuel cell modeling, materials, safety, fuel cell vehicles and residential applications. (author)

  2. Diapause prevention effect of Bombyx mori by dimethyl sulfoxide.

    Directory of Open Access Journals (Sweden)

    Takayuki Yamamoto

    Full Text Available HCl treatment has been, for about 80 years, the primary method for the prevention of entry into embryonic diapauses of Bombyx mori. This is because no method is as effective as the HCl treatment. In this study, we discovered that dimethyl sulfoxide (DMSO prevented entry into the diapause of the silkworm, Bombyx mori. The effect of diapause prevention was 78% as a result of treatment with 100% DMSO concentration, and the effect was comparable to that of the HCl treatment. In contrast, in the case of non-diapause eggs, hatchability was decreased by DMSO in a concentration-dependent manner. The effect of DMSO was restricted within 24 hours after oviposition of diapause eggs, and the critical period was slightly shorter than the effective period of the HCl treatment. DMSO analogs, such as dimethyl formamide (DMF and dimethyl sulfide (DMS, did little preventive effect against the diapause. Furthermore, we also investigated the permeation effects of chemical compounds by DMSO. When treated with an inhibitor of protein kinase CK2 (CK2 dissolved in DMSO, the prevention rate of the diapause was less than 40%. This means that the inhibition effect by the CK2 inhibitor was the inhibition of embryonic development after diapause prevention by DMSO. These data suggest that DMSO has the effects of preventing from entering into the diapause and permeation of chemicals into diapause eggs.

  3. Fragrance material review on 2,2-dimethyl-3-phenylpropanol.

    Science.gov (United States)

    Scognamiglio, J; Jones, L; Letizia, C S; Api, A M

    2012-09-01

    A toxicologic and dermatologic review of 2,2-dimethyl-3-phenylpropanol when used as a fragrance ingredient is presented. 2,2-Dimethyl-3-phenylpropanol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a primary alcohol. The AAAs are a structurally diverse class of fragrance ingredients that includes primary, secondary, and tertiary alkyl alcohols covalently bonded to an aryl (Ar) group, which may be either a substituted or unsubstituted benzene ring. The common structural element for the AAA fragrance ingredients is an alcohol group -C-(R1)(R2)OH and generically the AAA fragrances can be represented as an Ar-C-(R1)(R2)OH or Ar-Alkyl-C-(R1)(R2)OH group. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 2,2-dimethyl-3-phenylpropanol were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, skin sensitization, phototoxicity, and photoallergy data. A safety assessment of the entire Aryl Alkyl Alcohols will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all Aryl Alkyl Alcohols in fragrances. Copyright © 2011 Elsevier Ltd. All rights reserved.

  4. Oxidation of hydrogen peroxide by [Ni (cyclam)] in aqueous acidic ...

    Indian Academy of Sciences (India)

    Oxidation of hydrogen peroxide by tris(2,2 -bipyridine) and tris(4,4 -dimethyl-2,2 - bipyridine) complexes of osmium(III), iron(III), ruthenium(III), and nickel(III) studied in acidic and neutral aqueous media, show an inverse acid depen- dence over the pH the range 6.0–8.5.12 Kinetic mea- surements with an excess of H2O2 ...

  5. Electromembrane extraction of polar basic drugs from plasma with pure bis(2-ethylhexyl) phosphite as supported liquid membrane

    DEFF Research Database (Denmark)

    Huang, Chuixiu; Seip, Knut Fredrik; Gjelstad, Astrid

    2016-01-01

    , electrolysis in the sample and acceptor solution was kept at an acceptable level with no detrimental consequences. For the polar model analytes, representing a log P range from -0.40 to 1.32, recoveries in the range 25-91% were obtained from human plasma. Strong hydrogen bonding and dipole interactions were...

  6. Hydrogen exchange

    DEFF Research Database (Denmark)

    Jensen, Pernille Foged; Rand, Kasper Dyrberg

    2016-01-01

    Hydrogen exchange (HX) monitored by mass spectrometry (MS) is a powerful analytical method for investigation of protein conformation and dynamics. HX-MS monitors isotopic exchange of hydrogen in protein backbone amides and thus serves as a sensitive method for probing protein conformation...... and dynamics along the entire protein backbone. This chapter describes the exchange of backbone amide hydrogen which is highly quenchable as it is strongly dependent on the pH and temperature. The HX rates of backbone amide hydrogen are sensitive and very useful probes of protein conformation......, as they are distributed along the polypeptide backbone and form the fundamental hydrogen-bonding networks of basic secondary structure. The effect of pressure on HX in unstructured polypeptides (poly-dl-lysine and oxidatively unfolded ribonuclease A) and native folded proteins (lysozyme and ribonuclease A) was evaluated...

  7. Phosphite effect on hot and sweet pepper reaction to Phytophthora capsici Efeito do fosfito na reação de pimentão e pimenteira a Phytophthora capsici

    Directory of Open Access Journals (Sweden)

    Fernando Cesar Sala

    2004-10-01

    Full Text Available Phosphite has been recommended to enhance plant resistance against Phytophthora. This work evaluated the response of hot and sweet pepper (Capsicum annuum L. to Phytophthora capsici from juvenile up to the adult stage following treatment with phosphite. Sweet pepper hybrids considered to be resistant to P. capsici, like Reinger, Nathalie and Athenas, were evaluated. The susceptible checks were hybrid Magali R and cvs. Myr 10 and Ikeda. Hot pepper Criollo de Morelos 328, CM 334, BGH 3756, BGH 5122, CNPH 294 and Locorte were used as referential resistant lines. Phosphite did not have an effect on the hot pepper resistant lines because of their genetic homozygozity, while no protection was observed for the Athenas hybrid claimed to be resistant. Heterozygous hybrids recognized as resistant, like Reinger and Nathalie, showed higher survival following phosphite treatment, and their reaction was equivalent to the resistant cvs. CM 328 and CM 334, except for the fruiting stage. Depending of the hybrid heterozygous genotype, phosphite possibly acts through indirect phytoalexin induction through the inhibited pathogen.Fosfito tem sido recomendado para aumentar o sistema de resistência de plantas atacadas por fitopatógenos. Este trabalho avaliou a ação do fosfito nas reações de pimentão e pimenteiras (Capsicum annuum L. a Phytophthora capsici na fase juvenil até a fase adulta, tratadas com fosfito. Os híbridos de pimentão considerados resistentes a P. capsici foram Reinger, Nathalie e Athenas, enquanto que o híbrido Magali R e as cvs. Myr 10 e Ikeda constituíram as referenciais suscetíveis. As linhagens de pimenta Criollo de Morelos 328, CM 334, BGH 3756, BGH 5122, CNPH 294 e Locorte, foram usadas como padrão referencial de resistência ao patógeno. O fosfito não afetou a reação das linhagens resistentes devido sua homozigosidade genética. Não houve ação protetora do fosfito nos hospedeiros suscetíveis, inclusive no híbrido Athenas

  8. Crystal structure of 5-[bis(methylsulfonylmethyl]-1,3-dimethyl-5-(methylsulfonylpyrimidine-2,4,6(1H,3H,5H-trione

    Directory of Open Access Journals (Sweden)

    Eyad Mallah

    2015-01-01

    Full Text Available In the title compound, C10H16N2O9S3, the pyrimidine ring of the 1,3-dimethyl barbituric acid moiety has an envelope conformation with the C atom carrying the methylsulfonyl and bis(methylsulfonylmethyl substituents as the flap. The dihedral angle between mean plane of the pyrimidine ring and the S/C/S plane is 72.4 (3°. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a three-dimensional structure.

  9. Suppression of the auxin response pathway enhances susceptibility to Phytophthora cinnamomi while phosphite-mediated resistance stimulates the auxin signalling pathway

    Science.gov (United States)

    2014-01-01

    Background Phytophthora cinnamomi is a devastating pathogen worldwide and phosphite (Phi), an analogue of phosphate (Pi) is highly effective in the control of this pathogen. Phi also interferes with Pi starvation responses (PSR), of which auxin signalling is an integral component. In the current study, the involvement of Pi and the auxin signalling pathways in host and Phi-mediated resistance to P. cinnamomi was investigated by screening the Arabidopsis thaliana ecotype Col-0 and several mutants defective in PSR and the auxin response pathway for their susceptibility to this pathogen. The response to Phi treatment was also studied by monitoring its effect on Pi- and the auxin response pathways. Results Here we demonstrate that phr1-1 (phosphate starvation response 1), a mutant defective in response to Pi starvation was highly susceptible to P. cinnamomi compared to the parental background Col-0. Furthermore, the analysis of the Arabidopsis tir1-1 (transport inhibitor response 1) mutant, deficient in the auxin-stimulated SCF (Skp1 − Cullin − F-Box) ubiquitination pathway was also highly susceptible to P. cinnamomi and the susceptibility of the mutants rpn10 and pbe1 further supported a role for the 26S proteasome in resistance to P. cinnamomi. The role of auxin was also supported by a significant (P < 0.001) increase in susceptibility of blue lupin (Lupinus angustifolius) to P. cinnamomi following treatment with the inhibitor of auxin transport, TIBA (2,3,5-triiodobenzoic acid). Given the apparent involvement of auxin and PSR signalling in the resistance to P. cinnamomi, the possible involvement of these pathways in Phi mediated resistance was also investigated. Phi (especially at high concentrations) attenuates the response of some Pi starvation inducible genes such as AT4, AtACP5 and AtPT2 in Pi starved plants. However, Phi enhanced the transcript levels of PHR1 and the auxin responsive genes (AUX1, AXR1and AXR2), suppressed the primary root

  10. Direct synthesis of ethanol from dimethyl ether and syngas over combined H-Mordenite and Cu/ZnO catalysts.

    Science.gov (United States)

    Li, Xingang; San, Xiaoguang; Zhang, Yi; Ichii, Takashi; Meng, Ming; Tan, Yisheng; Tsubaki, Noritatsu

    2010-10-25

    Ethanol was directly synthesized from dimethyl ether (DME) and syngas with the combined H-Mordenite and Cu/ZnO catalysts that were separately loaded in a dual-catalyst bed reactor. Methyl acetate (MA) was formed by DME carbonylation over the H-Mordenite catalyst. Thereafter, ethanol and methanol were produced by MA hydrogenation over the Cu/ZnO catalyst. With the reactant gas containing 1.0% DME, the optimized temperature for the reaction was at 493 K to reach 100% conversion. In the products, the yield of methanol and ethanol could reach 46.3% and 42.2%, respectively, with a small amount of MA, ethyl acetate, and CO(2). This process is environmentally friendly as the main byproduct methanol can be recycled to DME by a dehydration reaction. In contrast, for the physically mixed catalysts, the low conversion of DME and high selectivity of methanol were observed.

  11. Solvent effects on the photochemistry of dimethyl sulfoxide-Cl complexes studied by combined pulse radiolysis and laser flash photolysis

    International Nuclear Information System (INIS)

    Sumiyoshi, Takashi; Minegishi, Hideki; Fujiyoshi, Ryoko; Sawamura, Sadashi

    2006-01-01

    Photolysis of complexes of dimethyl sulfoxide (DMSO) with chlorine atoms results in rapid and permanent photobleaching which may be due to intramolecular hydrogen abstraction. The effects of solvent polarity were examined in a wide variety of DMSO-carbon tetrachloride mixed solvents. The quantum yields of photobleaching decreased from 0.27 to 0.08 as the solvent polarity increased, while significant changes were observed in the low DMSO concentration range ( -3 ). This cannot be accounted for by simple solvent polarity effects. The effects of polar and nonpolar additives were also examined and it is concluded that the specific solvation effect of DMSO was the main cause of the significant change in quantum yields in the low concentration range of DMSO

  12. Temporal variations in dimethylsulphoniopropionate and dimethyl sulphide in the Zuari estuary, Goa (India)

    Digital Repository Service at National Institute of Oceanography (India)

    Shenoy, D.M.; Patil, J.S.

    . F., & Wakeham, S. G. (1998). Temporal variability of dimethyl sulfide and dimethylsulfoniopropionate in the Sargasso Sea. DeepSeaRes.PartI, 45, 2085– 2104. DeSouza, M. P., & Yoch, D. C. (1996). Differential metabolism of dimethyl...) measurements and a procedure to predict sea surface DMS as a function of latitude, longitude, and month.GlobalBiogeochemicalCycles,13, 399–444. Kiene, R. P. (1990). Dimethyl sulfide production from dimethyl-sulfoniopropionate in coastal seawater samples...

  13. Direct dimethyl ether (DME) synthesis through a thermally coupled heat exchanger reactor

    International Nuclear Information System (INIS)

    Vakili, R.; Pourazadi, E.; Setoodeh, P.; Eslamloueyan, R.; Rahimpour, M.R.

    2011-01-01

    Compared to some of the alternative fuel candidates such as methane, methanol and Fischer-Tropsch fuels, dimethyl ether (DME) seems to be a superior candidate for high-quality diesel fuel in near future. The direct synthesis of DME from syngas would be more economical and beneficial in comparison with the indirect process via methanol synthesis. Multifunctional auto-thermal reactors are novel concepts in process intensification. A promising field of applications for these concepts could be the coupling of endothermic and exothermic reactions in heat exchanger reactors. Consequently, in this study, a double integrated reactor for DME synthesis (by direct synthesis from syngas) and hydrogen production (by the cyclohexane dehydrogenation) is modelled based on the heat exchanger reactors concept and a steady-state heterogeneous one-dimensional mathematical model is developed. The corresponding results are compared with the available data for a pipe-shell fixed bed reactor for direct DME synthesis which is operating at the same feed conditions. In this novel configuration, DME production increases about 600 Ton/year. Also, the effects of some operational parameters such as feed flow rates and the inlet temperatures of exothermic and endothermic sections on reactor behaviour are investigated. The performance of the reactor needs to be proven experimentally and tested over a range of parameters under practical operating conditions.

  14. Adsorption and decomposition of dimethyl methylphosphonate (DMMP) on expanded graphite/metal oxides

    Science.gov (United States)

    Hung, Wei-Che; Wang, Je-Chuang; Wu, Kuo-Hui

    2018-06-01

    Composites based on expanded graphite (EG) and metal oxides (MOs) were prepared by an explosive combustion and blending method. A metal oxide (Ag2O, CuO or ZnO)-containing phase was employed as a component with reactive functionality, which was supported on EG as a component with adsorptive functionality. The physical properties of the EG/MO composites were examined using SEM and FTIR spectroscopy, the results of which indicated that the MOs were incorporated in the EG matrix after impregnation. Solid state magic angle spinning (MAS) 1H, 31P and cross polarization (CP) MAS 13C NMR studies of the EG/MO composites were performed after adsorption of dimethyl methylphosphonate (DMMP). The FTIR and NMR data showed that the initial uptake occurred through both molecular and reactive adsorption. Molecular adsorption occurred by van der Waals interaction of M(Zn, Cu, Ag)⋯Odbnd P and hydrogen-bond formation to isolated hydroxyl groups. Reactive chemisorption appeared to occur through interaction with both Lewis acid sites and active oxygen species present on the MO surface. The FTIR and NMR results exhibited a trend of reactivity towards DMMP in the order Ag2O > ZnO > CuO, which indicated stronger interaction between the Lewis acid sites and the phosphoryl O atom of DMMP for Ag2O as compared with ZnO and CuO, with concomitant formation of surface-coordinated DMMP and bridge-bonded Osbnd Psbnd O phosphorus oxide species.

  15. Dimethyl ether production from methanol and/or syngas

    Science.gov (United States)

    Dagle, Robert A; Wang, Yong; Baker, Eddie G; Hu, Jianli

    2015-02-17

    Disclosed are methods for producing dimethyl ether (DME) from methanol and for producing DME directly from syngas, such as syngas from biomass. Also disclosed are apparatus for DME production. The disclosed processes generally function at higher temperatures with lower contact times and at lower pressures than conventional processes so as to produce higher DME yields than do conventional processes. Certain embodiments of the processes are carried out in reactors providing greater surface to volume ratios than the presently used DME reactors. Certain embodiments of the processes are carried out in systems comprising multiple microchannel reactors.

  16. Performance of long straw tubes using dimethyl ether

    International Nuclear Information System (INIS)

    Benussi, L.; Bertani, M.; Bianco, S.; Fabbri, F.L.; Gianotti, P.; Giardoni, M.; Guaraldo, C.; Lanaro, A.; Lucherini, V.; Mecozzi, A.; Passamonti, L.; Russo, V.; Sarwar, S.

    1995-01-01

    A cylindrical tracking detector with an inner radius of one meter employing straw tubes is being envisaged for the FINUDA experiment aimed at hyper-nuclear physics at DAΦNE, the Frascati φ-factory. A prototype using several 10 mm and 20 mm diameter, two meter long aluminized mylar straws has been assembled and tested with a one GeV/c pion beam. While operating with dimethyl ether, gas gain, space resolution, and device systematics have been studied. A simple method of correction for systematics due to straw eccentricity has been developed and, once applied, a space resolution better than 40 μm can be reached. (orig.)

  17. (2E-3-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl-1-(2,5-dimethyl-3-thienylprop-2-en-1-one

    Directory of Open Access Journals (Sweden)

    Salman A. Khan

    2010-04-01

    Full Text Available The title compound, (2E-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl-1-(2,5-dimethyl-3-thienylprop-2-en-1-one (3 was synthesized in high yield by aldol condensation of 3-acetyl-2,5-dimethylthiophene and 3,5-dimethyl-1-phenylpyrazole-4-carboxaldehyde in ethanolic NaOH at room temperature. Its structure was fully characterized by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.

  18. Questioning hydrogen

    International Nuclear Information System (INIS)

    Hammerschlag, Roel; Mazza, Patrick

    2005-01-01

    As an energy carrier, hydrogen is to be compared to electricity, the only widespread and viable alternative. When hydrogen is used to transmit renewable electricity, only 51% can reach the end user due to losses in electrolysis, hydrogen compression, and the fuel cell. In contrast, conventional electric storage technologies allow between 75% and 85% of the original electricity to be delivered. Even when hydrogen is extracted from gasified coal (with carbon sequestration) or from water cracked in high-temperature nuclear reactors, more of the primary energy reaches the end user if a conventional electric process is used instead. Hydrogen performs no better in mobile applications, where electric vehicles that are far closer to commercialization exceed fuel cell vehicles in efficiency, cost and performance. New, carbon-neutral energy can prevent twice the quantity of GHG's by displacing fossil electricity than it can by powering fuel cell vehicles. The same is true for new, natural gas energy. New energy resources should be used to displace high-GHG electric generation, not to manufacture hydrogen

  19. (C6H16N2)Zn3(HPO3)4H2O: a new layered zinc phosphite templated by diprotonated trans-1,4-diaminocyclohexane

    International Nuclear Information System (INIS)

    Wang Yu; Yu Jihong; Li Yi; Du Yu; Xu Ruren; Ye Ling

    2003-01-01

    Employing trans-1,4-diaminocyclohexane (trans-1,4-DACH) as a template, a new two-dimensional layered zinc phosphite (C 6 H 16 N 2 )Zn 3 (HPO 3 ) 4 H 2 O (1) has been prepared hydrothermally. Single-crystal X-ray diffraction analysis shows that it crystallizes in the monoclinic space group P2 1 /n with a=10.458(2) A, b=14.720(3) A, c=13.079(3) A, β=97.93(3) deg. , V=1994.1(7) A 3 , Z=4, R 1 =0.0349 (I>2σ(I)) and wR 2 =0.0605 (all data). The inorganic layer is built up by alternation of ZnO 4 tetrahedra and HPO 3 pseudo pyramids forming a 4.6.8-net. The sheet is featured by a series of capped six-membered rings. The diprotonated trans-1,4-DACH molecules reside in the interlayer region and interact with the inorganic network through H-bonds

  20. H/D exchange in the reaction of D2 with Bis(triphenyl phosphite)(acetylacetonato)rhodium(I), Rh(P(OPh)3)2(acac)

    International Nuclear Information System (INIS)

    Whitmore, B.C.; Eisenberg, R.

    1984-01-01

    The reaction of Rh(P)OPh) 3 ) 2 (acac) (1) with D 2 benzene has been studied by 1 H NMR spectroscopy, and complex 1 has been found to undergo H/D exchange at the ortho positions of the coordinated phosphite ligands and at the central methine position of the acetylacetonate ligand. At 75 0 C, the exchange reaction proceeds with the extent of deuterium incorporation into P(OPh) 3 being the same as that into acac at all stages of the H/D exchange process. At 60 0 C, deuterium incorporation into P(OPh) 3 is initially more rapid than that into the acac ligand. The initial rate of deuterium incorporation into P(OPh) 3 by 1 in benzene-d 6 under D 2 at 60 0 C proceeds with a first-order rate constant of 9.6 x 10 -5 s -1 . A mechanism for this exchange process is proposed. 13 references, 3 figures, 2 tables

  1. Entropy Generation Minimization in Dimethyl Ether Synthesis: A Case Study

    Science.gov (United States)

    Kingston, Diego; Razzitte, Adrián César

    2018-04-01

    Entropy generation minimization is a method that helps improve the efficiency of real processes and devices. In this article, we study the entropy production (due to chemical reactions, heat exchange and friction) in a conventional reactor that synthesizes dimethyl ether and minimize it by modifying different operating variables of the reactor, such as composition, temperature and pressure, while aiming at a fixed production of dimethyl ether. Our results indicate that it is possible to reduce the entropy production rate by nearly 70 % and that, by changing only the inlet composition, it is possible to cut it by nearly 40 %, though this comes at the expense of greater dissipation due to heat transfer. We also study the alternative of coupling the reactor with another, where dehydrogenation of methylcyclohexane takes place. In that case, entropy generation can be reduced by 54 %, when pressure, temperature and inlet molar flows are varied. These examples show that entropy generation analysis can be a valuable tool in engineering design and applications aiming at process intensification and efficient operation of plant equipment.

  2. Two Approaches to the Synthesis of Dimethyl Fumarate That Demonstrate Fundamental Principles of Organic Chemistry

    Science.gov (United States)

    Love, Brian E.; Bennett, Lisa J.

    2017-01-01

    Two experiments are described which lead to the preparation of dimethyl fumarate, a compound currently used in the treatment of multiple sclerosis. Preparation of a compound with "real-world" applications is believed to increase student interest in the experiment. One experiment involves the isomerization of dimethyl maleate to the…

  3. Efficient and Simple Synthesis of 6-Aryl-1,4-dimethyl-9H-carbazoles

    Directory of Open Access Journals (Sweden)

    Sylvain Rault

    2008-06-01

    Full Text Available A synthetic method for the preparation of 6-aryl-1,4-dimethyl-9H-carbazoles involving a palladium catalyzed coupling reaction of 1,4-dimethyl-9H-carbazole-6-boronic acids and (heteroaryl halides is described.

  4. Direct dimethyl ether fueling of a high temperature polymer fuel cell

    DEFF Research Database (Denmark)

    Jensen, Jens Oluf; Vassiliev, Anton; Olsen, M.I.

    2012-01-01

    Direct dimethyl ether (DME) fuel cells suffer from poor DME–water miscibility and so far peak powers of only 20–40 mW cm−2 have been reported. Based on available literature on solubility of dimethyl ether (DME) in water at ambient pressure it was estimated that the maximum concentration of DME at...

  5. A novel preparation of methyl-β-cyclodextrin from dimethyl carbonate and β-cyclodextrin

    DEFF Research Database (Denmark)

    Gan, Yongjiang; Zhang, Yimin; Xiao, Chuanhao

    2011-01-01

    A novel green synthesis process about methyl-β-cyclodextrin has been investigated through the reaction between β-cyclodextrin and dimethyl carbonate by anhydrous potassium carbonate as catalyst in DMF. The influence of experimental factors including the molar ratio of dimethyl carbonate to β-cycl...

  6. Hydrogen program overview

    Energy Technology Data Exchange (ETDEWEB)

    Gronich, S. [Dept. of Energy, Washington, DC (United States). Office of Utility Technologies

    1997-12-31

    This paper consists of viewgraphs which summarize the following: Hydrogen program structure; Goals for hydrogen production research; Goals for hydrogen storage and utilization research; Technology validation; DOE technology validation activities supporting hydrogen pathways; Near-term opportunities for hydrogen; Market for hydrogen; and List of solicitation awards. It is concluded that a full transition toward a hydrogen economy can begin in the next decade.

  7. Synthesis and crystal structure of a new 2,6-dimethyl piperazine-1,4-diium perchlorate monohydrate: [C{sub 6}H{sub 16}N{sub 2}](ClO{sub 4}){sub 2} · H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Mleh, C. Ben [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte (Tunisia); Roisnel, T. [Université de Rennes I, Centre de Diffractométrie X, UMR 6226 CNRS, Unité Sciences Chimiques de Rennes (France); Marouani, H., E-mail: houda.marouani@fsb.rnu.tn [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte (Tunisia)

    2017-03-15

    A proton transfer compound 2,6-dimethyl piperazine-1,4-diium perchlorate monohydrate was synthesized by slow evaporation at room temperature using 2,6-dimethyl piperazine as template. The asymmetric unit contains one organic dication, two crystal graphically independent perchlorate anions and one water molecule. Each organic entities is engaged in a large number of bifurcated and non-bifurcated N–H···O (O) and C–H···O hydrogen bonds with different species and enhanced the three dimensional supramolecular network. In addition, the diprotonated piperazine ring adopts a chair conformation with the methyl groups occupying equatorial positions.

  8. Low-Temperature Oxidation of Dimethyl Ether to Polyoxymethylene Dimethyl Ethers over CNT-Supported Rhenium Catalyst

    Directory of Open Access Journals (Sweden)

    Qingde Zhang

    2016-03-01

    Full Text Available Due to its excellent conductivity, good thermal stability and large specific surface area, carbon nano-tubes (CNTs were selected as support to prepare a Re-based catalyst for dimethyl ether (DME direct oxidation to polyoxymethylene dimethyl ethers (DMMx. The catalyst performance was tested in a continuous flow type fixed-bed reactor. H3PW12O40 (PW12 was used to modify Re/CNTs to improve its activity and selectivity. The effects of PW12 content, reaction temperature, gas hourly space velocity (GHSV and reaction time on DME oxidation to DMMx were investigated. The results showed that modification of CNT-supported Re with 30% PW12 significantly increased the selectivity of DMM and DMM2 up to 59.0% from 6.6% with a DME conversion of 8.9%; besides that, there was no COx production observed in the reaction under the optimum conditions of 513 K and 1800 h−1. The techniques of XRD, BET, NH3-TPD, H2-TPR, XPS, TEM and SEM were used to characterize the structure, surface properties and morphology of the catalysts. The optimum amount of weak acid sites and redox sites promotes the synthesis of DMM and DMM2 from DME direct oxidation.

  9. Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7cobalt(II

    Directory of Open Access Journals (Sweden)

    Hicham El Hamdani

    2017-09-01

    Full Text Available The title complex, [Co(C7H7N4O22(H2O4], comprises mononuclear molecules consisting of a CoII ion, two deprotonated theophylline ligands (systematic name: 1,3-dimethyl-7H-purine-2,6-dione and four coordinating water molecules. The CoII atom lies on an inversion centre and has a slightly distorted octahedral coordination environment, with two N atoms of two trans-oriented theophylline ligands and the O atoms of four water molecules. An intramolecular hydrogen bond stabilizes this conformation. A three-dimensional supramolecular network structure is formed by intermolecular O—H...O and O—H...N hydrogen bonds.

  10. Control of wheat diseases using phosphites and acibenzolar-s-methyl alone or associated with piraclostrobina + epoxiconazoleControle de doenças do trigo com fosfitos e acibenzolar-s-metil isoladamente ou associados a piraclostrobina + epoxiconazole

    Directory of Open Access Journals (Sweden)

    Olavio Correa Silva

    2011-07-01

    Full Text Available The objective of this study was to evaluate the effect of different sources of phosphite to control leaf rust, powdery mildew, yellow and brown spot in the wheat crop in Palmeira, Paraná state, Brazil. The treatments were: four commercial sources of phosphites (A, B, C and D, applied at 1500 mL ha-1, (applied in rate of active product acibenzolar-S-methyl (ASM at 500 mL ha-1 (isolad or association, pyraclostrobin + epoxiconazole (fungicide at 400 mL ha-1 and phosphite A with pyraclostrobin + epoxiconazole (at 300 mL ha-1, phosphite A with pyraclostrobin + epoxiconazole (400 mL ha-1, acibenzolar-S-methyl with pyraclostrobin + epoxiconazole (400 mL ha-1 and control (water, . The experimental design adopted was complete randomized blocks with four replications. Regarding diseases, evaluations were done on the determination of severity and the calculation of the area below the curve of the disease progress in the flag leaf and entire plant. Leaf area index, thousand seeds weight, hectoliter weight and yield were also evaluated. Phosphite, independently source, did not act on leaf rust, powdery mildew, yellow and brown spot. The resistance inducer acibenzolar-S-methyl either isolated or associated to other fungicides affected leaf rust and powdery mildew of the wheat. Only phosphites associated to the fungicide controlled diseases, however there was no additional increase in yield whether compared to the control promoted by the fungicide.Foi realizado um experimento no município de Palmeira-PR, visando avaliar o efeito de diferentes fontes de fosfitos no controle da ferrugem da folha, do oídio e das manchas amarela e marrom na cultura do trigo. Os tratamentos foram: quatro fontes comerciais de fosfitos (A, B, C e D aplicados na dose de 1500 mL ha-1 (dose de produto ativo isolado ou associado aos demais produtos, acibenzolar-S-metil (ASM na dose de 500 mL ha-1 (isolado ou associado, piraclostrobina + epoxiconazole (fungicida na dose de 500 mL ha-1

  11. Establishment of Dimethyl Labeling-based Quantitative Acetylproteomics in Arabidopsis.

    Science.gov (United States)

    Liu, Shichang; Yu, Fengchao; Yang, Zhu; Wang, Tingliang; Xiong, Hairong; Chang, Caren; Yu, Weichuan; Li, Ning

    2018-05-01

    Protein acetylation, one of many types of post-translational modifications (PTMs), is involved in a variety of biological and cellular processes. In the present study, we applied both C sCl d ensity g radient (CDG) centrifugation-based protein fractionation and a dimethyl-labeling-based 4C quantitative PTM proteomics workflow in the study of dynamic acetylproteomic changes in Arabidopsis. This workflow integrates the dimethyl c hemical labeling with c hromatography-based acetylpeptide separation and enrichment followed by mass spectrometry (MS) analysis, the extracted ion chromatogram (XIC) quantitation-based c omputational analysis of mass spectrometry data to measure dynamic changes of acetylpeptide level using an in-house software program, named S table isotope-based Qua ntitation- D imethyl labeling (SQUA-D), and finally the c onfirmation of ethylene hormone-regulated acetylation using immunoblot analysis. Eventually, using this proteomic approach, 7456 unambiguous acetylation sites were found from 2638 different acetylproteins, and 5250 acetylation sites, including 5233 sites on lysine side chain and 17 sites on protein N termini, were identified repetitively. Out of these repetitively discovered acetylation sites, 4228 sites on lysine side chain ( i.e. 80.5%) are novel. These acetylproteins are exemplified by the histone superfamily, ribosomal and heat shock proteins, and proteins related to stress/stimulus responses and energy metabolism. The novel acetylproteins enriched by the CDG centrifugation fractionation contain many cellular trafficking proteins, membrane-bound receptors, and receptor-like kinases, which are mostly involved in brassinosteroid, light, gravity, and development signaling. In addition, we identified 12 highly conserved acetylation site motifs within histones, P-glycoproteins, actin depolymerizing factors, ATPases, transcription factors, and receptor-like kinases. Using SQUA-D software, we have quantified 33 ethylene hormone-enhanced and

  12. Changes in Dimethyl Sulfide Oceanic Distribution due to Climate Change

    Energy Technology Data Exchange (ETDEWEB)

    Cameron-Smith, P; Elliott, S; Maltrud, M; Erickson, D; Wingenter, O

    2011-02-16

    Dimethyl sulfide (DMS) is one of the major precursors for aerosols and cloud condensation nuclei in the marine boundary layer over much of the remote ocean. Here they report on coupled climate simulations with a state-of-the-art global ocean biogeochemical model for DMS distribution and fluxes using present-day and future atmospheric CO{sub 2} concentrations. They find changes in zonal averaged DMS flux to the atmosphere of over 150% in the Southern Ocean. This is due to concurrent sea ice changes and ocean ecosystem composition shifts caused by changes in temperature, mixing, nutrient, and light regimes. The largest changes occur in a region already sensitive to climate change, so any resultant local CLAW/Gaia feedback of DMS on clouds, and thus radiative forcing, will be particularly important. A comparison of these results to prior studies shows that increasing model complexity is associted with reduced DMS emissions at the equator and increased emissions at high latitudes.

  13. Synthesis pf dimethyl carbonate in supercritical carbon dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Ballivet-Tkatchenko, D.; Plasseraud, L. [Universite de Bourgogne-UFR Sciences et Techniques, Dijon (France). Lab. de Synthese et Electrosynthese Organometalliques]. E-mail: ballivet@u-bourgogne.fr; Ligabue, R.A. [Pontificia Univ. Catolica do Rio Grande do Sul, Porto Alegre, RS (Brazil). Dept. de Quimica Pura

    2006-01-15

    The reactivity of carbon dioxide with methanol to form dimethyl carbonate was studied in the presence of the n-butylmethoxytin compounds n-Bu{sub 3}SnOCH{sub 3}, n-Bu{sub 2}Sn(OCH{sub 3}){sub 2}, and [n-Bu{sub 2}(CH{sub 3}O)Sn]{sub 2}O. The reaction occurred under solventless conditions at 423 K and was produced by an increase in CO{sub 2} pressure. This beneficial effect is primarily attributed to phase behavior. The mass transfer under liquid-vapor biphasic conditions was not limiting when the system reached the supercritical state for a CO{sub 2} pressure higher than 16 MPa. Under these conditions, CO{sub 2} acted as a reactant and a solvent. (author)

  14. Adducts of rare earth tris-acetylacetonates with dimethyl sulfoxide

    International Nuclear Information System (INIS)

    Dzyubenko, N.G.; Kalenichenko, Yu.V.; Martynenko, L.I.

    1988-01-01

    Adducts of rare earth and yttrium (r.e.e., M) acetylacetonates with dimethyl sulfoxide (DMSO), MA 3 xnDMSO are synthesized. The acetylacetonates of light r.e.e. (M=La-Tb) are shown by different physico-chemical methods to form diadducts of the MA 3 x2DMSOxH 2 O composition, where A - -acetylacetonate-ion, and the acetyl-acetonates of heavy r.e.e. (M=Dy-Lu, Y)-monoadducts MA 3 xDMSO. The estimation of adduct thermal stability is carried out using the values of seeming activation energy of their thermal degradation. Monoadducts are shown to give volatile forms of rare earth acetylacetonates during heating in vacuum, and diadducts do not form volatile forms of acetylacetonates

  15. Fragmentation of dimethyl ether in femtosecond intense field

    Science.gov (United States)

    Zhu, Jingyi; Guo, Wei; Wang, Yanqiu; Wang, Li

    2006-08-01

    The fragmentation of dimethyl ether (DME) in intense femtosecond laser field has been studied at 810, 405 and 270 nm with intensities up to 2.48 × 10 15, 3.86 × 10 15 and 1.62 × 10 14 W/cm 2, respectively. At 405 nm, DME is possibly firstly ionized by multiphoton absorption, and then parent ion DME + dissociates into fragments via filed-induced dissociation. For 810 and 270 nm laser fields, DME firstly dissociates into CH 3O and CH 3 fragments and then these neutral fragments are ionized by field tunneling. Another possible way for DME to dissociate at 810 and 270 nm is that DME is ionized by intense field ejection of inner valance electron and then the excited DME + dissociates into fragment ions. Ultrafast rearrangement of DME or DME + in intense field may be responsible to the unpredictable fragment ions, CHO+/C2H5+andH2+.

  16. Crystal structure of dichloridobis(dimethyl N-cyanodithioiminocarbonatecobalt(II

    Directory of Open Access Journals (Sweden)

    Mouhamadou Birame Diop

    2016-01-01

    Full Text Available The structure of the mononuclear title complex, [{(H3CS2C=NC[triple-bond] N}2CoCl2], consists of a CoII atom coordinated in a distorted tetrahedral manner by two Cl− ligands and the terminal N atoms of two dimethyl N-cyanodithioiminocarbonate ligands. The two organic ligands are almost coplanar, with a dihedral angle of 5.99 (6° between their least-squares planes. The crystal packing features pairs of inversion-related complexes that are held together through C—H...Cl and C—H...S interactions and π–π stacking [centroid-to-centroid distance = 3.515 (su? Å]. Additional C—H...Cl and C—H...S interactions, as well as Cl...S contacts < 3.6 Å, consolidate the crystal packing.

  17. Homogeneous Charge Compression Ignition Combustion of Dimethyl Ether

    DEFF Research Database (Denmark)

    Pedersen, Troels Dyhr

    This thesis is based on experimental and numerical studies on the use of dimethyl ether (DME) in the homogeneous charge compression ignition (HCCI) combustion process. The first paper in this thesis was published in 2007 and describes HCCI combustion of pure DME in a small diesel engine. The tests...... were designed to investigate the effect of engine speed, compression ratio and equivalence ratio on the combustion timing and the engine performance. It was found that the required compression ratio depended on the equivalence ratio used. A lower equivalence ratio requires a higher compression ratio...... before the fuel is burned completely, due to lower in-cylinder temperatures and lower reaction rates. The study provided some insight in the importance of operating at the correct compression ratio, as well as the operational limitations and emission characteristics of HCCI combustion. HCCI combustion...

  18. Direct dimethyl ether high temperature polymer electrolyte membrane fuel cells

    DEFF Research Database (Denmark)

    Vassiliev, Anton; Jensen, Jens Oluf; Li, Qingfeng

    and suffers from low DME solubility in water. When the DME - water mixture is fed as vapour miscibility is no longer a problem. The increased temperature is more beneficial for the kinetics of the direct oxidation of DME than of methanol. The Open Circuit Voltage (OCV) with DME operation was 50 to 100 m......A high temperature polybenzimidazole (PBI) polymer fuel cell was fed with dimethyl ether (DME) and water vapour mixture on the anode at ambient pressure with air as oxidant. A peak power density of 79 mW/cm2 was achieved at 200°C. A conventional polymer based direct DME fuel cell is liquid fed......V higher than that of methanol, indicating less fuel crossover....

  19. Metastable hydrogen

    International Nuclear Information System (INIS)

    Dose, V.

    1982-01-01

    This paper deals with the basic physical properties of the metastable 2 2 sub(1/2) state of atomic hydrogen. Applications relying on its special properties, including measurement of the Lamb shift, production of spin-polarized protons and the measurement of molecular electric moments, are discussed. (author)

  20. DIMETHYL ETHER (DME)-FUELED SHUTTLE BUS DEMONSTRATION PROJECT

    Energy Technology Data Exchange (ETDEWEB)

    Elana M. Chapman; Shirish Bhide; Jennifer Stefanik; Andre L. Boehman; David Klinikowski

    2003-04-01

    The objectives of this research and demonstration program are to convert a campus shuttle bus to operation on dimethyl ether, a potential ultra-clean alternative diesel fuel. To accomplish this objective, this project includes laboratory evaluation of a fuel conversion strategy, as well as, field demonstration of the DME-fueled shuttle bus. Since DME is a fuel with no lubricity (i.e., it does not possess the lubricating quality of diesel fuel), conventional fuel delivery and fuel injection systems are not compatible with dimethyl ether. Therefore, to operate a diesel engine on DME one must develop a fuel-tolerant injection system, or find a way to provide the necessary lubricity to the DME. In this project, they have chosen the latter strategy in order to achieve the objective with minimal need to modify the engine. The strategy is to blend DME with diesel fuel, to obtain the necessary lubricity to protect the fuel injection system and to achieve low emissions. The laboratory studies have included work with a Navistar V-8 turbodiesel engine, demonstration of engine operation on DME-diesel blends and instrumentation for evaluating fuel properties. The field studies have involved performance, efficiency and emissions measurements with the Champion Motorcoach ''Defender'' shuttle bus which will be converted to DME-fueling. The results include baseline emissions, performance and combustion measurements on the Navistar engine for operation on a federal low sulfur diesel fuel (300 ppm S). Most recently, they have completed engine combustion studies on DME-diesel blends up to 30 wt% DME addition.

  1. Single-Step Syngas-to-Distillates (S2D) Synthesis via Methanol and Dimethyl Ether Intermediates: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Dagle, Robert A.; Lebarbier, Vanessa MC; Lizarazo Adarme, Jair A.; King, David L.; Zhu, Yunhua; Gray, Michel J.; Jones, Susanne B.; Biddy, Mary J.; Hallen, Richard T.; Wang, Yong; White, James F.; Holladay, Johnathan E.; Palo, Daniel R.

    2013-11-26

    The objective of the work was to enhance price-competitive, synthesis gas (syngas)-based production of transportation fuels that are directly compatible with the existing vehicle fleet (i.e., vehicles fueled by gasoline, diesel, jet fuel, etc.). To accomplish this, modifications to the traditional methanol-to-gasoline (MTG) process were investigated. In this study, we investigated direct conversion of syngas to distillates using methanol and dimethyl ether intermediates. For this application, a Pd/ZnO/Al2O3 (PdZnAl) catalyst previously developed for methanol steam reforming was evaluated. The PdZnAl catalyst was shown to be far superior to a conventional copper-based methanol catalyst when operated at relatively high temperatures (i.e., >300°C), which is necessary for MTG-type applications. Catalytic performance was evaluated through parametric studies. Process conditions such as temperature, pressure, gas-hour-space velocity, and syngas feed ratio (i.e., hydrogen:carbon monoxide) were investigated. PdZnAl catalyst formulation also was optimized to maximize conversion and selectivity to methanol and dimethyl ether while suppressing methane formation. Thus, a PdZn/Al2O3 catalyst optimized for methanol and dimethyl ether formation was developed through combined catalytic material and process parameter exploration. However, even after compositional optimization, a significant amount of undesirable carbon dioxide was produced (formed via the water-gas-shift reaction), and some degree of methane formation could not be completely avoided. Pd/ZnO/Al2O3 used in combination with ZSM-5 was investigated for direct syngas-to-distillates conversion. High conversion was achieved as thermodynamic constraints are alleviated when methanol and dimethyl are intermediates for hydrocarbon formation. When methanol and/or dimethyl ether are products formed separately, equilibrium restrictions occur. Thermodynamic relaxation also enables the use of lower operating pressures than what

  2. Industrial implications of hydrogen

    International Nuclear Information System (INIS)

    Pressouyre, G.M.

    1982-01-01

    Two major industrial implications of hydrogen are examined: problems related to the effect of hydrogen on materials properties (hydrogen embrittlement), and problems related to the use and production of hydrogen as a future energy vector [fr

  3. LC-MS/MS analytical procedure to quantify tris(nonylphenyl)phosphite, as a source of the endocrine disruptors 4-nonylphenols, in food packaging materials.

    Science.gov (United States)

    Mottier, Pascal; Frank, Nancy; Dubois, Mathieu; Tarres, Adrienne; Bessaire, Thomas; Romero, Roman; Delatour, Thierry

    2014-01-01

    Tris(nonylphenyl)phosphite, an antioxidant used in polyethylene resins for food applications, is problematic since it is a source of the endocrine-disrupting chemicals 4-nonylphenols (4NP) upon migration into packaged foods. As a response to concerns surrounding the presence of 4NP-based compounds in packaging materials, some resin producers and additive suppliers have decided to eliminate TNPP from formulations. This paper describes an analytical procedure to verify the "TNPP-free" statement in multilayer laminates used for bag-in-box packaging. The method involves extraction of TNPP from laminates with organic solvents followed by detection/quantification by LC-MS/MS using the atmospheric pressure chemical ionisation (APCI) mode. A further acidic treatment of the latter extract allows the release of 4NP from potentially extracted TNPP. 4NP is then analysed by LC-MS/MS using electrospray ionisation (ESI) mode. This two-step analytical procedure ensures not only TNPP quantification in laminates, but also allows the flagging of other possible sources of 4NP in such packaging materials, typically as non-intentionally added substances (NIAS). The limits of quantification were 0.50 and 0.48 µg dm⁻² for TNPP and 4NP in laminates, respectively, with recoveries ranging between 87% and 114%. Usage of such analytical methodologies in quality control operations has pointed to a lack of traceability at the packaging supplier level and cross-contamination of extrusion equipment at the converter level, when TNPP-containing laminates are processed on the same machine beforehand.

  4. Natural 4-Hydroxy-2,5-dimethyl-3(2H)-furanone (Furaneol®)

    OpenAIRE

    Wilfried Schwab

    2013-01-01

    4-Hydroxy-2,5-dimethyl-3(2H)-furanone (HDMF, furaneol®) and its methyl ether 2,5-dimethyl-4-methoxy-3(2H)-furanone (DMMF) are import aroma chemicals and are considered key flavor compounds in many fruit. Due to their attractive sensory properties they are highly appreciated by the food industry. In fruits 2,5-dimethyl-3(2H)-furanones are synthesized by a series of enzymatic steps whereas HDMF is also a product of the Maillard reaction. Numerous methods for the synthetic preparation of these c...

  5. Mechanistic Insight in the Function of Phosphite Additives for Protection of LiNi0.5Co0.2Mn0.3O2 Cathode in High Voltage Li-Ion Cells.

    Science.gov (United States)

    He, Meinan; Su, Chi-Cheung; Peebles, Cameron; Feng, Zhenxing; Connell, Justin G; Liao, Chen; Wang, Yan; Shkrob, Ilya A; Zhang, Zhengcheng

    2016-05-11

    Triethlylphosphite (TEP) and tris(2,2,2-trifluoroethyl) phosphite (TTFP) have been evaluated as electrolyte additives for high-voltage Li-ion battery cells using a Ni-rich layered cathode material LiNi0.5Co0.2Mn0.3O2 (NCM523) and the conventional carbonate electrolyte. The repeated charge/discharge cycling for cells containing 1 wt % of these additives was performed using an NCM523/graphite full cell operated at the voltage window from 3.0-4.6 V. During the initial charge process, these additives decompose on the cathode surface at a lower oxidation potential than the baseline electrolyte. Impedance spectroscopy and post-test analyses indicate the formation of protective coatings by both additives on the cathode surface that prevent oxidative breakdown of the electrolyte. However, only TTFP containing cells demonstrate the improved capacity retention and Coulombic efficiency. For TEP, the protective coating is also formed, but low Li(+) ion mobility through the interphase layer results in inferior performance. These observations are rationalized through the inhibition of electrocatalytic centers present on the cathode surface and the formation of organophosphate deposits isolating the cathode surface from the electrolyte. The difference between the two phosphites clearly originates in the different properties of the resulting phosphate coatings, which may be in Li(+) ion conductivity through such materials.

  6. Two new three-dimensional zinc phosphites templated by piperazine: [H2pip][Zn3(HPO3)4(H2O)2] and K[H2pip]0.5[Zn3(HPO3)4

    Science.gov (United States)

    Zhang, Xiao; Wang, Guo-Ming; Wang, Zong-Hua; Wang, Ying-Xia; Lin, Jian-Hua

    2014-01-01

    Two three-dimensional open-framework zinc phosphites with the same organically templated, [H2pip][Zn3(HPO3)4(H2O)2] (1) and K[H2pip]0.5[Zn3(HPO3)4] (2) (pip = piperazine), have been solvothermally synthesized and structurally characterized by IR, elemental analysis, thermogravimetric analysis, powder and single-crystal X-ray diffractions. Compound 1 consists of ZnO4 tetrahedra, [HPO3] pseudopyramids and [ZnO4(H2O)2] octahedra, which are linked through their vertexes to generate three-dimensional architecture with intersecting 8-membered channels along the [1 0 0], [0 0 1] and [1 0 1] directions. Compound 2 is constructed from strictly alternating ZnO4 tetrahedra and [HPO3] pseudopyramids, and exhibits (3,4)-connected inorganic framework with 8-, and 12-membered channels, in which the K+ and diprotonated H2pip2+ extra-framework cations reside, respectively. The coexistence of inorganic K+ and organic piperazine mixed templates in the structure is unique and, to the best of our knowledge, firstly observed in metal-phosphite materials. In addition, the participation of left-handed and right-handed helical chains in construction of the puckered 4.82 sheet structure in 2 is also noteworthy.

  7. Thermochemical study of 2,5-dimethyl-3-furancarboxylic acid, 4,5-dimethyl-2-furaldehyde, and 3-acetyl-2,5-dimethylfuran

    International Nuclear Information System (INIS)

    Ribeiro da Silva, Manuel A.V.; Amaral, Luisa M.P.F.

    2011-01-01

    The standard (p o = 0.1 MPa) molar enthalpies of formation, in the gaseous state, at T = 298.15 K, for 2,5-dimethyl-3-furancarboxylic acid, 3-acetyl-2,5-dimethylfuran, and 4,5-dimethyl-2-furaldehyde were derived from the values of the standard molar enthalpies of formation, in the condensed phase, and the standard molar enthalpies of phase transition from the condensed to the gaseous state. The values of the standard molar enthalpies of formation of the compounds in the condensed phases were calculated from the measurements of the standard massic energies of combustion obtained by static bomb combustion calorimetry. The enthalpies of vaporization/sublimation were measured by Calvet high temperature microcalorimetry. For 2,5-dimethyl-3-furancarboxylic acid the standard enthalpy of sublimation was also calculated, by the application of the Clausius-Clapeyron equation, to the temperature dependence of the vapor pressures measured by the Knudsen effusion technique. (table)

  8. The hydrogen; L'hydrogene

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    The hydrogen as an energy system represents nowadays a main challenge (in a scientific, economical and environmental point of view). The physical and chemical characteristics of hydrogen are at first given. Then, the challenges of an hydrogen economy are explained. The different possibilities of hydrogen production are described as well as the distribution systems and the different possibilities of hydrogen storage. Several fuel cells are at last presented: PEMFC, DMFC and SOFC. (O.M.)

  9. Dimethyl 5,5′-methylenebis(2-hydroxybenzoate

    Directory of Open Access Journals (Sweden)

    Artur M. S. Silva

    2012-05-01

    Full Text Available In the title compound, C17H16O6, the two methyl salicylate moieties are related by crystallographic twofold rotational symmetry with the two benzene rings close to being perpendicular [inter-ring dihedral angle = 86.6 (8°]. Intramolecular phenolic O—H...O hydrogen bonds with carboxyl O-atom acceptors are present, with these groups also involved in centrosymmetric cyclic intermolecular O—H...O hydrogen-bonding associations [graph set R22(4], giving infinite chains extending across (101.

  10. Rate Constants for the Reactions of Hydroxyl Radical with Several Alkanes, Cycloalkanes, and Dimethyl Ether

    Science.gov (United States)

    DeMore, W.; Bayes, K.

    1998-01-01

    Relative rate experiements were used to measure rate constants and temperature denpendencies of the reactions of OH with propane, n-butane, n-pentane, n-hexane, cyclopropane, cyclobutane, cyclopentane, and dimethyl ether.

  11. Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from Hibiscus sabdariffa (Malvaceae)

    OpenAIRE

    Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.

    2017-01-01

    The biologically active title compounds have been isolated from Hibiscus sabdariffa plants, hibiscus acid as a dimethyl sulfoxide monosolvate [systematic name: (2S,3R)-3-hy?droxy-5-oxo-2,3,4,5-tetra?hydro?furan-2,3-di?carb?oxy?lic acid dimethyl sulfoxide monosolvate], C6H6O7?C2H6OS, (I), and hibiscus acid dimethyl ester [systematic name: dimethyl (2S,3R)-3-hy?droxy-5-oxo-2,3,4,5-tetra?hydro?furan-2,3-di?carboxyl?ate], C8H10O7, (II). Compound (I) forms a layered structure with alternating laye...

  12. USE OF DIMETHYL FUMARATE IN THE TREATMENT OF MULTIPLE SCLEROSIS: CLINICAL AND ECONOMIC ANALYSIS

    Directory of Open Access Journals (Sweden)

    V. R. Mkrtchyan

    2016-01-01

    Full Text Available The paper presents a review of an update on the comparative pharmacoeconomic analysis of using dimethyl fumarate in the treatment of multiple sclerosis (MS in European countries. A pharmacoeconomic evaluation was made to study the use of first-line oral dimethyl fumarate versus another first-line oral teriflunomide in the treatment of MS in the Russian Federation (for 1 year and second-line natalizumab and fingolimod. Among first-line oral drugs, dimethyl fumarate was shown to be superior to teriflunomide in a cost-effectiveness ratio and to be slightly ahead of the MS-modifying drugs (MSMDs  and the second-line drugs natalizumab and fingolimod. According to clinical and economic indicators, dimethyl fumarate is the drug of choise among other MSMDs in the treatment of MS.

  13. Biosynthesis of glycerol carbonate from glycerol by lipase in dimethyl carbonate as the solvent.

    Science.gov (United States)

    Lee, Kyung Hwa; Park, Chang-Ho; Lee, Eun Yeol

    2010-11-01

    Glycerol carbonate was synthesized from renewable glycerol and dimethyl carbonate using lipase in solvent-free reaction system in which excess dimethyl carbonate played as the reaction medium. A variety of lipases have been tested for their abilities to catalyze transesterification reaction, and Candida antartica lipase B and Novozyme 435 exhibited higher catalytic activities. The silica-coated glycerol with a 1:1 ratio was supplied to prevent two-phase formation between hydrophobic dimethyl carbonate and hydrophilic glycerol. Glycerol carbonate was successfully synthesized with more than 90% conversion from dimethyl carbonate and glycerol with a molar ratio of 10 using Novozyme 435-catalyzed transesterification at 70 °C. The Novozyme 435 [5% (w/w) and 20% (w/w)] and silica gel were more than four times recycled with good stability in a repeated batch operation for the solvent-free synthesis of glycerol carbonate.

  14. Kinetics of periodate oxidation of tris -(4,4'-dimethyl-2,2'-bipyridine ...

    African Journals Online (AJOL)

    dimethyl-2,2'-bipyridine) iron(II) in acid medium was investigated. The complex undergoes extensive protonation in acid medium. Both protonated and the unprotonated species undergo electron transfer reaction with the active periodate species ...

  15. The stability study of myristyl dimethyl amine oxide as an amphoteric ...

    African Journals Online (AJOL)

    The stability study of myristyl dimethyl amine oxide as an amphoteric surfactant in strong oxidant media containing 5 % m/m sodium hypochlorite through measurement of decomposing rate using high performance liquid chromatography and two phase titration.

  16. Direct synthesis of dimethyl carbonate from CO2 and methanol over ...

    Indian Academy of Sciences (India)

    The direct synthesis of dimethyl carbonate (DMC) from carbon dioxide (CO2) and methanol is ... Zirconia and ceria-based catalysts were most effective ... construction of a validation plant for dialkyl carbonates .... (mmol of MeOH consumed/2).

  17. Fixation of carbon dioxide into dimethyl carbonate over titanium-based zeolitic thiophene-benzimidazolate framework

    Data.gov (United States)

    U.S. Environmental Protection Agency — A titanium-based zeolitic thiophene-benzimidazolate framework has been designed for the direct synthesis of dimethyl carbonate (DMC) from methanol and carbon...

  18. Modeling of a Reaction-Distillation-Recycle System to Produce Dimethyl Ether through Methanol Dehydration

    Science.gov (United States)

    Muharam, Y.; Zulkarnain, L. M.; Wirya, A. S.

    2018-03-01

    The increase in the dimethyl ether yield through methanol dehydration due to a recycle integration to a reaction-distillation system was studied in this research. A one-dimensional phenomenological model of a methanol dehydration reactor and a shortcut model of distillation columns were used to achieve the aim. Simulation results show that 10.7 moles/s of dimethyl ether is produced in a reaction-distillation system with the reactor length being 4 m, the reactor inlet pressure being 18 atm, the reactor inlet temperature being 533 K, the reactor inlet velocity being 0.408 m/s, and the distillation pressure being 8 atm. The methanol conversion is 90% and the dimethyl ether yield is 48%. The integration of the recycle stream to the system increases the dimethyl ether yield by 8%.

  19. Synthesis of dimethyl carbonate by oxidative carbonylation of methanol

    Energy Technology Data Exchange (ETDEWEB)

    Lee, B.G.; Han, M.S.; Kim, H.S.; Ahn, B.S.; Park, K.Y.

    1999-07-01

    Dimethyl carbonate (DMC) synthesis reaction by oxidative carbonylation of methanol has been studied using vapor phase flow reaction system in the presence of Cu-based catalysts. A series of Cu-based catalysts were prepared by the conventional impregnation method using activated carbon (AC) as support. The effect of various promoters and reaction conditions on the catalytic reactivities was intensively evaluated in terms of methanol conversion and DMC selectivity. The morphological change of catalysts during the reaction was also compared by X-ray diffraction and SEM analysis. Regardless of catalyst compositions, the optimal reaction temperature for oxidative carbonylation of methanol was found to be around 120--130 C. The reaction rate was too slow below 100 C, while too many by-products were produced above 150 C. Among the various catalysts employed, CuCl{sub 2}/NaOH/AC catalyst with the mole ratio of OH/Cu = 0.5--1.0 has shown the best catalytic performance, which appears to have a strong relationship with the formation of intermediate species, Cu{sub 2}(OH){sub 3}Cl.

  20. Photoluminescence of 1,3-dimethyl pyrazoloquinoline derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Koscien, E. [1st Liceum, Sobieskiego 22, 42-700 Lubliniec (Poland); Gondek, E.; Pokladko, M. [Institute of Physics, Technical University of Krakow, Podhorazych 1, 30-084 Krakow (Poland); Jarosz, B. [Department of Chemistry, Hugon Kollotaj Agricultural University, Al. Mickiewicza 24/28, 30-059 Krakow (Poland); Vlokh, R.O. [Institute of Physical Optics, Dragomanova 23, 79005 Lviv (Ukraine); Kityk, A.V. [Department of Electrical Engineering, Czestochowa University of Technology, Al. Armii Krajowej 17, 42-200 Czestochowa (Poland)], E-mail: kityk@ap.univie.ac.at

    2009-04-15

    This paper presents absorption and photoluminescence of 6-F, 6-Br, 6-Cl, 7-TFM and 6-COOEt derivatives of 1,3-dimethyl-1H-Pyrazolo[3,4-b]quinoline (DMPQ). The measured absorption and emission spectra are compared with the quantum chemical calculations performed by means of the semi-empirical methods (AM1 or PM3) that are applied either to the equilibrium conformations in vacuo (T = 0 K) or combined with the molecular dynamics simulations (T = 300 K). The spectra calculated by the AM1 method appear to be for all dyes in practically excellent agreement with the measured ones. In particular, the position of the first absorption band is obtained with the accuracy up to a few nanometers, whereas the calculated photoluminescence spectra predict the positions of the emission maxima for a gas phase with the accuracy up to 10-18 nm. The photoemission spectra of DMPQ dyes are considerably less solvatochromic comparing to phenyl-containing pyrazoloquinoline derivatives. According to the quantum chemical analysis the reason for such behaviour lies in a local character of the electronic transitions of DMPQ dyes which are characterized by a relatively small difference between the excited state and ground state dipole moments. Importantly that the rotational dynamics of both methyl subunits does not change this situation.

  1. Penguins are attracted to dimethyl sulphide at sea.

    Science.gov (United States)

    Wright, Kyran L B; Pichegru, Lorien; Ryan, Peter G

    2011-08-01

    Breeding Spheniscus penguins are central place foragers that feed primarily on schooling pelagic fish. They are visual hunters, but it is unclear how they locate prey patches on a coarse scale. Many petrels and storm petrels (Procellariiformes), the penguins' closest relatives, use olfactory cues to locate prey concentrations at sea, but this has not been demonstrated for penguins. Procellariiforms are attracted to a variety of olfactory cues, including dimethyl sulphide (DMS), an organosulphur compound released when phytoplankton is grazed, as well as fish odorants such as cod liver oil. A recent study found that African penguins Spheniscus demersus react to DMS on land. We confirm this result and show that African penguins are also attracted by DMS at sea. DMS-scented oil slicks attracted 2-3 times more penguins than control slicks, whereas penguins showed no response to slicks containing cod liver oil. The number of penguins attracted to DMS increased for at least 30 min, suggesting penguins could travel up to 2 km to reach scent cues. Repeats of land-based trials confirmed previous results showing DMS sensitivity of penguins on land. Our results also support the hypothesis that African penguins use DMS as an olfactory cue to locate prey patches at sea from a distance, which is particularly important given their slow commuting speed relative to that of flying seabirds.

  2. Electrochemical degradation of dimethyl phthalate ester on a DSA® electrode

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Fernanda L.; Aquino, Jose M.; Miwa, Douglas W.; Motheo, Artur J. [Universidade de Sao Paulo (USP), Sao Carlos, SP (Brazil). Instituto de Quimica; Rodrigo, Manuel A., E-mail: artur@iqsc.usp.br [Department of Chemical Engineering, Faculty of Chemical Sciences and Technologies, Universidad de Castilla - La Mancha, Ciudad Real (Spain)

    2014-03-15

    The electrochemical degradation of dimethyl phthalate (DMP) using a one-compartment filter press flow cell and a commercial dimensionally stable anode (DSA®) is presented. The best electrolysis conditions were determined by the analysis of the influence of the nature and concentration of the support electrolyte, pH, current density and temperature. The abatement of DMP concentration and total organic carbon (TOC) removal were superior in the presence of NaCl, as well as the apparent first order kinetic constants. Using constant ionic strength at 0.15 mol dm{sup -3} by adding Na{sub 2}SO{sub 4}, DMP concentration decreases faster at relative low NaCl concentrations while the TOC removal after 1 h of electrolysis increases with NaCl concentration. The DMP removal was very similar for all the current densities investigated at acidic solutions. When electric energy saving is considered, since the electrochemical system was under mass transport conditions, the best operational option is to use low current density values. (author)

  3. Synthesis of dimethyl carbonate from urea and methanol

    Energy Technology Data Exchange (ETDEWEB)

    Polyakov, M.; Kalevaru, V.N.; Martin, A. [Rostock Univ. (Germany). Leibniz Institute for Catalysis; Mueller, K.; Arlt, W. [Erlangen-Nuernberg Univ. (Germany); Strautmann, J.; Kruse, D. [Evonik Industries AG, Marl (Germany). Creavis Technologies and Innovation

    2012-07-01

    Alcoholation of urea with methanol to produce dimethyl carbonate (DMC) is an interesting approach from both the ecological and economical points of view because the urea synthesis usually occurs by the direct use of carbon dioxide. Literature survey reveals that metal oxide catalysts for instance MgO, ZnO, etc. or polyphosphoric acids are mostly used as catalysts for this reaction. In this contribution, we describe the application of ZnO, MgO, CaO, TiO{sub 2}, ZrO{sub 2} or Al{sub 2}O{sub 3} catalysts for the above mentioned reaction. The catalytic activity of different metal oxides towards DMC synthesis was checked and additionally a comparison of achieved conversions with that of predictions made by thermodynamic calculations was also carried out. The achieved conversions are in good agreement with those of calculated ones. The test results reveal that the reaction pressure and temperature have a strong influence on the formation of DMC. Higher reaction pressure improved the yield of DMC. Among different catalysts investigated, ZnO displayed the best performance. The conversion of urea in most cases is close to 100 % and methyl carbamate MC is the major product of the reaction. A part of MC is subsequently converted to DMC, which however depends upon the reaction conditions applied and nature of catalyst used. From the best case, a DMC yield of ca. 8 % could be successfully achieved over ZnO catalyst. (orig.)

  4. Dimethyl sulfoxyde diethyl fumarate solution for high dose dosimetry

    International Nuclear Information System (INIS)

    Al-Kassiri, H.; Kattan, M.; Daher, Y.

    2007-06-01

    Dosimetric characterization of diethyl fumarate DEF in dimethyl sulfoxyde DMSO solution has been studied spectrophotometrically for possible application at high dose radiation dosimetry in the range (0-225 kGy). The absorption spectra of irradiated solution showed broad absorption bands between (325-400 nm) with a shoulder at 332 nm. The absorption increases as the dose is increased. Absorbance at 332 nm were measured and plotted against absorbed dose. Linear relationship and good response were found between absorbed dose and absorbance of 20% DEF concentration in the range (0-225 kGy) at the wave length, and linearity up to 250 kGy of absorbance at 332 nm .Good dose rate independence was observed in the range (14-33 kGy/h). The effect of post irradiation storage in darkness and indirect daylight conditions were not found to influence the absorption up to 700 h after irradiation. The effect of irradiation temperature within the range (0 to 60 centigrade degree) on the dosimetry performance was discussed.(author)

  5. Prediction of dimethyl disulfide levels from biosolids using statistical modeling.

    Science.gov (United States)

    Gabriel, Steven A; Vilalai, Sirapong; Arispe, Susanna; Kim, Hyunook; McConnell, Laura L; Torrents, Alba; Peot, Christopher; Ramirez, Mark

    2005-01-01

    Two statistical models were used to predict the concentration of dimethyl disulfide (DMDS) released from biosolids produced by an advanced wastewater treatment plant (WWTP) located in Washington, DC, USA. The plant concentrates sludge from primary sedimentation basins in gravity thickeners (GT) and sludge from secondary sedimentation basins in dissolved air flotation (DAF) thickeners. The thickened sludge is pumped into blending tanks and then fed into centrifuges for dewatering. The dewatered sludge is then conditioned with lime before trucking out from the plant. DMDS, along with other volatile sulfur and nitrogen-containing chemicals, is known to contribute to biosolids odors. These models identified oxidation/reduction potential (ORP) values of a GT and DAF, the amount of sludge dewatered by centrifuges, and the blend ratio between GT thickened sludge and DAF thickened sludge in blending tanks as control variables. The accuracy of the developed regression models was evaluated by checking the adjusted R2 of the regression as well as the signs of coefficients associated with each variable. In general, both models explained observed DMDS levels in sludge headspace samples. The adjusted R2 value of the regression models 1 and 2 were 0.79 and 0.77, respectively. Coefficients for each regression model also had the correct sign. Using the developed models, plant operators can adjust the controllable variables to proactively decrease this odorant. Therefore, these models are a useful tool in biosolids management at WWTPs.

  6. Biodegradation of Dimethyl Phthalate by Freshwater Unicellular Cyanobacteria.

    Science.gov (United States)

    Zhang, Xiaohui; Liu, Lincong; Zhang, Siping; Pan, Yan; Li, Jing; Pan, Hongwei; Xu, Shiguo; Luo, Feng

    2016-01-01

    The biodegradation characteristics of dimethyl phthalate (DMP) by three freshwater unicellular organisms were investigated in this study. The findings revealed that all the organisms were capable of metabolizing DMP; among them, Cyanothece sp. PCC7822 achieved the highest degradation efficiency. Lower concentration of DMP supported the growth of the Cyanobacteria; however, with the increase of DMP concentration growth of Cyanobacteria was inhibited remarkably. Phthalic acid (PA) was detected to be an intermediate degradation product of DMP and accumulated in the culture solution. The optimal initial pH value for the degradation was detected to be 9.0, which mitigated the decrease of pH resulting from the production of PA. The optimum temperature for DMP degradation of the three species of organisms is 30°C. After 72 hours' incubation, no more than 11.8% of the residual of DMP aggregated in Cyanobacteria cells while majority of DMP remained in the medium. Moreover, esterase was induced by DMP and the activity kept increasing during the degradation process. This suggested that esterase could assist in the degradation of DMP.

  7. Biodegradation of Dimethyl Phthalate by Freshwater Unicellular Cyanobacteria

    Science.gov (United States)

    Zhang, Xiaohui; Liu, Lincong; Zhang, Siping; Pan, Yan; Li, Jing; Pan, Hongwei

    2016-01-01

    The biodegradation characteristics of dimethyl phthalate (DMP) by three freshwater unicellular organisms were investigated in this study. The findings revealed that all the organisms were capable of metabolizing DMP; among them, Cyanothece sp. PCC7822 achieved the highest degradation efficiency. Lower concentration of DMP supported the growth of the Cyanobacteria; however, with the increase of DMP concentration growth of Cyanobacteria was inhibited remarkably. Phthalic acid (PA) was detected to be an intermediate degradation product of DMP and accumulated in the culture solution. The optimal initial pH value for the degradation was detected to be 9.0, which mitigated the decrease of pH resulting from the production of PA. The optimum temperature for DMP degradation of the three species of organisms is 30°C. After 72 hours' incubation, no more than 11.8% of the residual of DMP aggregated in Cyanobacteria cells while majority of DMP remained in the medium. Moreover, esterase was induced by DMP and the activity kept increasing during the degradation process. This suggested that esterase could assist in the degradation of DMP. PMID:28078293

  8. Examining Dimethyl Sulfide Emissions in California's San Joaquin Valley

    Science.gov (United States)

    Huber, D.; Hughes, S.; Blake, D. R.

    2017-12-01

    Dimethyl Sulfide (DMS) is a sulfur-containing compound that leads to the formation of aerosols which can lead to the formation of haze and fog. Whole air samples were collected on board the NASA C-23 Sherpa aircraft during the 2017 Student Airborne Research Program (SARP) over dairies and agricultural fields in the San Joaquin Valley. Analysis of the samples indicate average DMS concentrations of 23 ± 9 pptv, with a maximum concentration of 49 pptv. When compared with DMS concentrations from previous SARP missions (2009-2016), 2017 by far had the highest frequency of elevated DMS in this region. For this study, agricultural productivity of this region was analyzed to determine whether land use could be contributing to the elevated DMS. Top down and bottom up analysis of agriculture and dairies were used to determine emission rates of DMS in the San Joaquin Valley. Correlations to methane and ethanol were used to determine that DMS emissions were strongly linked to dairies, and resulted in R2 values of 0.61 and 0.43, respectively. These values indicate a strong correlation between dairies and DMS emissions. Combined with NOAA HySPLIT back trajectory data and analysis of ground air samples, results suggest that the contribution of dairies to annual DMS emissions in the San Joaquin Valley exceeds those from corn and alfalfa production.

  9. Metformin (dimethyl-biguanide induced DNA damage in mammalian cells

    Directory of Open Access Journals (Sweden)

    Rubem R. Amador

    2012-01-01

    Full Text Available Metformin (dimethyl-biguanide is an insulin-sensitizing agent that lowers fasting plasma-insulin concentration, wherefore it's wide use for patients with a variety of insulin-resistant and prediabetic states, including impaired glucose tolerance. During pregnancy it is a further resource for reducing first-trimester pregnancy loss in women with the polycystic ovary syndrome. We tested metformin genotoxicity in cells of Chinese hamster ovary, CHO-K1 (chromosome aberrations; comet assays and in mice (micronucleus assays. Concentrations of 114.4 µg/mL and 572 µg/mL were used in in vitro tests, and 95.4 mg/kg, 190.8 mg/kg and 333.9 mg/kg in assaying. Although the in vitro tests revealed no chromosome aberrations in metaphase cells, DNA damage was detected by comet assaying after 24 h of incubation at both concentrations. The frequency of DNA damage was higher at concentrations of 114.4 µg/mL. Furthermore, although mortality was not observed in in vitro tests, the highest dose of metformin suppressed bone marrow cells. However, no statistically significant differences were noted in micronuclei frequencies between treatments. In vitro results indicate that chronic metformin exposure may be potentially genotoxic. Thus, pregnant woman undergoing treatment with metformin should be properly evaluated beforehand, as regards vulnerability to DNA damage.

  10. A highly sensitive and selective dimethyl ether sensor based on cataluminescence.

    Science.gov (United States)

    Zhang, Runkun; Cao, Xiaoan; Liu, Yonghui; Peng, Yan

    2010-07-15

    A sensor for detecting dimethyl ether was designed based on the cataluminescence phenomenon when dimethyl ether vapors were passing through the surface of the ceramic heater. The proposed sensor showed high sensitivity and selectivity to dimethyl ether at an optimal temperature of 279 degrees C. Quantitative analysis were performed at a wavelength of 425 nm, the flow rate of carrier air is around 300 mL/min. The linear range of the cataluminescence intensity versus concentration of dimethyl ether is 100-6.0x10(3) ppm with a detection limit of 80 ppm. The sensor response time is 2.5 s. Under the optimized conditions, none or only very low levels of interference were observed while the foreign substances such as benzene, formaldehyde, ammonia, methanol, ethanol, acetaldehyde, acetic acid, acrolein, isopropyl ether, ethyl acetate, glycol ether and 2-methoxyethanol were passing through the sensor. Since the sensor does not need to prepare and fix up the granular catalyst, the simple technology reduces cost, improves stability and extends life span. The method can be applied to facilitate detection of dimethyl ether in the air. The possible mechanism of cataluminescence from the oxidation of dimethyl ether on the surface of ceramic heater was discussed based on the reaction products. Copyright 2010 Elsevier B.V. All rights reserved.

  11. Management Strategies to Facilitate Optimal Outcomes for Patients Treated with Delayed-release Dimethyl Fumarate.

    Science.gov (United States)

    Mayer, Lori; Fink, Mary Kay; Sammarco, Carrie; Laing, Lisa

    2018-04-01

    Delayed-release dimethyl fumarate is an oral disease-modifying therapy that has demonstrated significant efficacy in adults with relapsing-remitting multiple sclerosis. Incidences of flushing and gastrointestinal adverse events are common in the first month after delayed-release dimethyl fumarate initiation. Our objective was to propose mitigation strategies for adverse events related to initiation of delayed-release dimethyl fumarate in the treatment of patients with multiple sclerosis. Studies of individually developed mitigation strategies and chart reviews were evaluated. Those results, as well as mitigation protocols developed at multiple sclerosis care centers, are summarized. Key steps to optimize the effectiveness of delayed-release dimethyl fumarate treatment include education prior to and at the time of delayed-release dimethyl fumarate initiation, initiation dose protocol gradually increasing to maintenance dose, dietary suggestions for co-administration with food, gastrointestinal symptom management with over-the-counter medications, flushing symptom management with aspirin, and temporary dose reduction. Using the available evidence from clinical trials and evaluations of post-marketing studies, these strategies to manage gastrointestinal and flushing symptoms can be effective and helpful to the patient when initiating delayed-release dimethyl fumarate.

  12. Amperometric biosensor for the detection of hydrogen peroxide using catalase modified electrodes in polyacrylamide.

    Science.gov (United States)

    Varma, Shailly; Mattiasson, Bo

    2005-09-23

    A simple biosensor for the detection of hydrogen peroxide in organic solvents has been developed and coupled to a flow injection analysis (FIA) system. Catalase was entrapped in polyacrylamide gel and placed on the surface of platinum (working electrode) fixed in a Teflon holder with Ag-wire (auxiliary electrode), followed by addition of filter paper soaked in KCl. The entrapped catalase gel was held on the electrode using membranes. The effects of cellulose and polytetrafluroethylene (PTFE) membranes on the electrode response towards hydrogen peroxide have been studied. The modified electrode has been used to study the detection of hydrogen peroxide in solvents like water, dimethyl sulfoxide (DMSO), and 1,4-dioxane using amperometric techniques like cyclic voltammetry (CV) and FIA. The CV of modified catalase electrode showed a broad oxidation peak at -150 mV and a clear reduction peak at -212 mV in the presence of hydrogen peroxide. Comparison of CV with hydrogen peroxide in various solvents has been carried out. The electrode showed an irreversible kinetics with DMSO as the solvent. A flow cell has been designed in order to carry on FIA studies to obtain calibration plots for hydrogen peroxide with the modified electrode. The calibration plots in several solvents such as water, dimethyl sulfoxide, 1,4-dioxane have been obtained. The throughput of the enzyme electrode was 10 injections per hour. Due to the presence of membrane the response time of the electrode is concentration dependent.

  13. Photocatalytic hydrogen evolution from aqueous solutions of organophosphorous compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kozlova, Ekaterina A.; Vorontsov, Alexander V. [Boreskov Institute of Catalysis and Novosibirsk State University, Novosibirsk 630090 (Russian Federation)

    2010-07-15

    Photocatalytic hydrogen production from water solutions of dimethyl methylphosphonate (DMMP), trimethyl phosphate (TMP), triethyl phosphate (TEP), and radiation protective amine WR 2721, that imitate nerve chemical warfare agents was studied for the first time. Platinized titianium dioxide Degussa P25 was used as catalyst. No significant hydrogen evolution was detected without organic electron donors - sacrificial agents. The hydrogen evolution rate was shown to grow slowly with the rise of initial DMMP concentration. The initial rate vs. DMMP concentration curve is well fitted by Langmuir-Hinshelwood (L-H) equation. The DMMP adsorption constant obtained from the L-H equation fit is markedly higher than that obtained from the Langmuir adsorption isotherm. Reactions of full destruction into inorganic products of the four organophosphorous compounds were conducted. Amounts of evolved hydrogen and carbon dioxide were completely consistent with stoichiometry of proposed reaction. There were no initial compounds and only trace of total organic carbon after the end of the reaction. Complete water purification and production of an amount of valuable hydrogen was achieved. Intermediates of DMMP oxygen-free destruction were identified by means of GC/MS. They were the same as those in the case of DMMP photocatalytic oxidation. A mechanism of hydrogen evolution that explains smaller rates of mineralization compared to photocatalytic oxidation by oxygen was proposed. (author)

  14. DIMETHYL ETHER (DME)-FUELED SHUTTLE BUS DEMONSTRATION PROJECT

    Energy Technology Data Exchange (ETDEWEB)

    Elana M. Chapman; Shirish Bhide; Jennifer Stefanik; Howard Glunt; Andre L. Boehman; Allen Homan; David Klinikowski

    2003-04-01

    The objectives of this research and demonstration program are to convert a campus shuttle bus to operation on dimethyl ether, a potential ultra-clean alternative diesel fuel. To accomplish this objective, this project includes laboratory evaluation of a fuel conversion strategy, as well as, field demonstration of the DME-fueled shuttle bus. Since DME is a fuel with no lubricity (i.e., it does not possess the lubricating quality of diesel fuel), conventional fuel delivery and fuel injection systems are not compatible with dimethyl ether. Therefore, to operate a diesel engine on DME one must develop a fuel-tolerant injection system, or find a way to provide the necessary lubricity to the DME. In this project, they have chosen the latter strategy in order to achieve the objective with minimal need to modify the engine. Their strategy is to blend DME with diesel fuel, to obtain the necessary lubricity to protect the fuel injection system and to achieve low emissions. The bulk of the efforts over the past year were focused on the conversion of the campus shuttle bus. This process, started in August 2001, took until April 2002 to complete. The process culminated in an event to celebrate the launching of the shuttle bus on DME-diesel operation on April 19, 2002. The design of the system on the shuttle bus was patterned after the system developed in the engine laboratory, but also was subjected to a rigorous failure modes effects analysis (FMEA, referred to by Air Products as a ''HAZOP'' analysis) with help from Dr. James Hansel of Air Products. The result of this FMEA was the addition of layers of redundancy and over-pressure protection to the system on the shuttle bus. The system became operational in February 2002. Preliminary emissions tests and basic operation of the shuttle bus took place at the Pennsylvania Transportation Institute's test track facility near the University Park airport. After modification and optimization of the system on

  15. Destructive hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Terrisse, H; Dufour, L

    1929-01-21

    Oils of high boiling point, e.g. gas oil, lamp oil, schist oil, brown coal tar etc., are converted into motor benzine by heating them at 200 to 500/sup 0/C under pressure of 5 to 40 kilograms/cm/sup 2/ in the presence of ferrous chloride and gases such as hydrogen, or water gas, the desulfurization of the oils proceeding simultaneously. One kilogram of lamp oil and 100 g. ferrous chloride are heated in an autoclave in the presence of water gas under a pressure of 18 kg/cm/sup 2/ to 380 to 400/sup 0/C. The gaseous products are allowed to escape intermittently and are replaced by fresh water gas. A product distilling between 35 and 270/sup 0/C is obtained.

  16. Autoignited lifted flames of dimethyl ether in heated coflow air

    KAUST Repository

    Al-Noman, Saeed M.

    2018-05-16

    Autoignited lifted flames of dimethyl ether (DME) in laminar nonpremixed jets with high-temperature coflow air have been studied experimentally. When the initial temperature was elevated to over 860 K, an autoignition occurred without requiring an external ignition source. A planar laser-induced fluorescence (PLIF) technique for formaldehyde (CH2O) visualized qualitatively the zone of low temperature kinetics in a premixed flame. Two flame configurations were investigated; (1) autoignited lifted flames with tribrachial edge having three distinct branches of a lean and a rich premixed flame wings with a trailing diffusion flame and (2) autoignited lifted flames with mild combustion when the fuel was highly diluted. For the autoignited tribrachial edge flames at critical autoignition conditions, exhibiting repetitive extinction and re-ignition phenomena near a blowout condition, the characteristic flow time (liftoff height scaled with jet velocity) was correlated with the square of the ignition delay time of the stoichiometric mixture. The liftoff heights were also correlated as a function of jet velocity times the square of ignition delay time. Formaldehydes were observed between the fuel nozzle and the lifted flame edge, emphasizing a low-temperature kinetics for autoignited lifted flames, while for a non-autoignited lifted flame, formaldehydes were observed near a thin luminous flame zone.For the autoignited lifted flames with mild combustion, especially at a high temperature, a unique non-monotonic liftoff height behavior was observed; decreasing and then increasing liftoff height with jet velocity. This behavior was similar to the binary mixture fuels of CH4/H2 and CO/H2 observed previously. A transient homogeneous autoignition analysis suggested that such decreasing behavior with jet velocity can be attributed to partial oxidation characteristics of DME in producing appreciable amounts of CH4/CO/H2 ahead of the edge flame region.

  17. Lanthanide extraction with 2,5-dimethyl-2-hydroxyhexanoic acid

    International Nuclear Information System (INIS)

    Miller, J.H.

    1977-12-01

    This research is concerned with the solvent extraction into chloroform of the lanthanides, using 2,5-dimethyl-2-hydroxyhexanoic acid (DMHHA). This acid is the first α-hydroxy aliphatic acid to be studied as an extracting agent for the lanthanides. The chloroform-water DMHHA partition constant was determined to be 1.0 (at 0.1 M ionic strength and 25 0 C). The acid dimerizes in chloroform with a constant of 56. The light lanthanides can be extracted into chloroform by forming complexes with the DMHHA anions. The extracted metal species is highly aggregated. This extraction has a solubility limit which increases with the addition of unionized acid. The resultant extract is also highly aggregated. At unionized acid-to-metal ratios greater than one, extractions first occur followed by the slow precipitation of the lanthanide. At the tracer level, neodymium is extracted primarily as NdA 3 (HA) 5 and (NdA 3 ) 2 (HA)/sub q/. Very small amounts of (NdA 3 ) 2 and other metal aggregates are also present. The heavy lanthanides do not extract from solutions of DMHHA and its potassium salt, but form aqueous emulsions and precipitates. In the presence of the organic soluble tetrabutylammonium ion the heavy lanthanides can be extracted, presumably as ion pairs. The stability constants of the light lanthanides and DMHHA were determined. The separation factors obtained from DMHHA extractions of the light lanthanides were also investigated and found to be comparable to those obtained employing normal aliphatic carboxylic acid

  18. Autoignited lifted flames of dimethyl ether in heated coflow air

    KAUST Repository

    Al-Noman, Saeed M.; Choi, Byung Chul; Chung, Suk-Ho

    2018-01-01

    Autoignited lifted flames of dimethyl ether (DME) in laminar nonpremixed jets with high-temperature coflow air have been studied experimentally. When the initial temperature was elevated to over 860 K, an autoignition occurred without requiring an external ignition source. A planar laser-induced fluorescence (PLIF) technique for formaldehyde (CH2O) visualized qualitatively the zone of low temperature kinetics in a premixed flame. Two flame configurations were investigated; (1) autoignited lifted flames with tribrachial edge having three distinct branches of a lean and a rich premixed flame wings with a trailing diffusion flame and (2) autoignited lifted flames with mild combustion when the fuel was highly diluted. For the autoignited tribrachial edge flames at critical autoignition conditions, exhibiting repetitive extinction and re-ignition phenomena near a blowout condition, the characteristic flow time (liftoff height scaled with jet velocity) was correlated with the square of the ignition delay time of the stoichiometric mixture. The liftoff heights were also correlated as a function of jet velocity times the square of ignition delay time. Formaldehydes were observed between the fuel nozzle and the lifted flame edge, emphasizing a low-temperature kinetics for autoignited lifted flames, while for a non-autoignited lifted flame, formaldehydes were observed near a thin luminous flame zone.For the autoignited lifted flames with mild combustion, especially at a high temperature, a unique non-monotonic liftoff height behavior was observed; decreasing and then increasing liftoff height with jet velocity. This behavior was similar to the binary mixture fuels of CH4/H2 and CO/H2 observed previously. A transient homogeneous autoignition analysis suggested that such decreasing behavior with jet velocity can be attributed to partial oxidation characteristics of DME in producing appreciable amounts of CH4/CO/H2 ahead of the edge flame region.

  19. Dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate

    Directory of Open Access Journals (Sweden)

    Deming Zhao

    2010-04-01

    Full Text Available The title compound, C10H10O6, was obtained from an esterification reaction of 2,6-dihydroxyterephthalic acid and methanol. In the molecular structure, all of the C atoms are nearly coplanar. The two hydroxy groups have C2 symmetry. Intramolecular O—H...O hydrogen bonds are observed. In the crystal, weak O—H...O interactions link the molecules.

  20. [4,6-Dimethyl­pyrimidine-2(1H)-thione-κS]iodidobis(triphenyl­phosphane-κP)copper(I)

    Science.gov (United States)

    Pakawatchai, Chaveng; Wattanakanjana, Yupa; Choto, Patcharanan; Nimthong, Ruthairat

    2012-01-01

    In the mononuclear title complex, [CuI(C6H8N2S)(C18H15P)2], the CuI ion is in a slightly distorted tetra­hedral coordination geometry formed by two P atoms from two triphenyl­phosphane ligands, one S atom from a 4,6-dimethyl­pyrimidine-2(1H)-thione ligand and one iodide ion. There is an intra­molecular N—H⋯I hydrogen bond. In the crystal, π–π stacking inter­actions [centroid–centroid distance = 3.594 (1) Å] are observed. PMID:22719327

  1. Crystal structure of chlorido(dimethyl sulfoxide-κSbis[4-(pyridin-2-ylbenzaldehyde-κ3C2,N]iridium(III acetonitrile monosolvate

    Directory of Open Access Journals (Sweden)

    Andrew J. Peloquin

    2017-09-01

    Full Text Available The title compound, [IrCl(C12H8NO2{(CH32SO}]·H3CCN or [IrCl(fppy2(DMSO]·H3CCN [where fppy is 4-(pyridin-2-ylbenzaldehyde and DMSO is dimethyl sulfoxide], is a mononuclear iridium(III complex including two fppy ligands, a sulfur-coordinating DMSO ligand, and one terminal chloride ligand that define a distorted octahedral coordination sphere. The complex crystallizes from 1:1 DMSO–acetonitrile as an acetonitrile solvate. In the crystal, weak C—H...O and C—H...N hydrogen-bonding interactions between adjacent complexes and between the acetonitrile solvent and the complex consolidate the packing.

  2. Acid-base equilibrium dynamics in methanol and dimethyl sulfoxide probed by two-dimensional infrared spectroscopy.

    Science.gov (United States)

    Lee, Chiho; Son, Hyewon; Park, Sungnam

    2015-07-21

    Two-dimensional infrared (2DIR) spectroscopy, which has been proven to be an excellent experimental method for studying thermally-driven chemical processes, was successfully used to investigate the acid dissociation equilibrium of HN3 in methanol (CH3OH) and dimethyl sulfoxide (DMSO) for the first time. Our 2DIR experimental results indicate that the acid-base equilibrium occurs on picosecond timescales in CH3OH but that it occurs on much longer timescales in DMSO. Our results imply that the different timescales of the acid-base equilibrium originate from different proton transfer mechanisms between the acidic (HN3) and basic (N3(-)) species in CH3OH and DMSO. In CH3OH, the acid-base equilibrium is assisted by the surrounding CH3OH molecules which can directly donate H(+) to N3(-) and accept H(+) from HN3 and the proton migrates through the hydrogen-bonded chain of CH3OH. On the other hand, the acid-base equilibrium in DMSO occurs through the mutual diffusion of HN3 and N3(-) or direct proton transfer. Our 2DIR experimental results corroborate different proton transfer mechanisms in the acid-base equilibrium in protic (CH3OH) and aprotic (DMSO) solvents.

  3. Pressure-induced amorphization and reactivity of solid dimethyl acetylene probed by in situ FTIR and Raman spectroscopy

    Science.gov (United States)

    Guan, Jiwen; Daljeet, Roshan; Kieran, Arielle; Song, Yang

    2018-06-01

    Conjugated polymers are prominent semiconductors that have unique electric conductivity and photoluminescence. Synthesis of conjugated polymers under high pressure is extremely appealing because it does not require a catalyst or solvent used in conventional chemical methods. Transformation of acetylene and many of its derivatives to conjugated polymers using high pressure has been successfully achieved, but not with dimethyl acetylene (DMA). In this work, we present a high-pressure study on solid DMA using a diamond anvil cell up to 24.4 GPa at room temperature characterized by in situ Fourier transform infrared and Raman spectroscopy. Our results show that solid DMA exists in a phase II crystal structure and is stable up to 12 GPa. Above this pressure, amorphization was initiated and the process was completed at 24.4 GPa. The expected polymeric transformation was not evident upon compression, but only observed upon decompression from a threshold compression pressure (e.g. 14.4 GPa). In situ florescence measurements suggest excimer formation via crystal defects, which induces the chemical reactions. The vibrational spectral analysis suggests the products contain the amorphous poly(DMA) and possibly additional amorphous hydrogenated carbon material.

  4. The removal of dimethyl phthalate (DMP) from contaminated water by advanced oxidation processes in the presence of methanol

    Energy Technology Data Exchange (ETDEWEB)

    Al-Tawabini, B.S. [Research Inst., King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)

    2003-07-01

    A bench-scale laboratory study was conducted to investigate the effect of alcohol (i.e. methanol) presence on the removal efficiency of phthalates from water using Fenton's reagent and UV/H{sub 2}O{sub 2} process. Dimethyl phthalate (DMP) was selected as a target compound. In one batch of experiments, only DMP was spiked into pure water, while in the other batch, DMP was initially dissolved in methanol prior to spiking into water samples. A UV lamp of 100 m Watt emitting at a wavelength of approximately 254 nm was used to provide the radiation. Temperature and pH conditions were kept constant at 25 C and 3, respectively. The results showed that Fenton's reagent was effective in reducing the concentration of DMP in water in the absence of the methanol. More than 90% of DMP was removed within 45 minutes at hydrogen peroxide (H{sub 2}O{sub 2}) and ferrous ion (Fe{sup 2+}) concentrations of 1.0 and 0.4 mM respectively. However, Fenton's reagent failed to do so in the presence of methanol. On the other hand, results showed that UV/H{sub 2}O{sub 2} system was effective in removing DMP from both pure, as well as methanol-spiked water. The results clearly indicated that UV radiation plays a fundamental role in the degradation of the target compound. (orig.)

  5. Molybdenum-95 nuclear magnetic resonance of a series of phosphine and phosphite substituted molybdenum carbonyls Mo(CO)sub(6-n)Lsub(n)(n = 1,2,3,4,5)

    International Nuclear Information System (INIS)

    Jaitner, P.; Wohlgenannt, W.

    1982-01-01

    Molybdenum-95 NMR spectra of a series of phosphine and phosphite substituted molybdenum carbonyls Mo(CO)sub(6-n)Lsub(n)n[L = P(OCH 3 ) 3 n = 1,2,3,4,5, L = P(OC 2 H 5 ) 3 n = 1,2,3, L = P(C 6 H 5 ) 3 n = 1] including isomers (cis, trans, fac, mer) are reported. A large range of chemical shifts is found for the title compounds. The coupling constants 1 J( 95 Mo- 31 P) are derived either from 95 Mo-NMR spectra or 31 P-NMR spectra. Syntheses of the measured compounds were performed by thermal or photochemical ligand sustitution. (Author)

  6. Laboratory rotational spectrum of singly 13C-substituted dimethyl ether up to 1.5 THz and interstellar detection of 13CH_3O12CH_3 - a fruitful interplay between laboratory work and inter

    Science.gov (United States)

    Koerber, M.; Bisschop, S.; Endres, C.; Lewen, F.; Schlemmer, S.

    2011-05-01

    Dimethyl ether (CH_3OCH_3) is found in high abundance in star forming regions. However, the interstellar formation process of dimethyl ether still remains unclear up to now. In current gas-grain models gas-phase synthesis via self-methylation of methanol evaporating from grains is discussed in contrast to the surface reaction of CH_3 with successively hydrogenated CO (Garrod & Herbst 2006). An observational test for the formation mechanism has been proposed by Charnley et al. (2004) making use of the 13C fractionation into CO at low temperatures on grains: Comparing the 12C/13C ratio of molecules to the 12CO/13CO ratio allows to distinguish between formation from CO on cold grains and pure gas-phase formation routes. The isotopic ratio of species like dimethyl ether thus can be used as a tracer of the chemical evolution of the observed region. Due to its two methyl groups undergoing large amplitude motions and a relatively strong dipole moment of μ = 1.302 D it shows a strong and dense complex spectrum all over the terahertz region relevant for Herschel and ALMA observations. Accurate transition frequencies are needed to interpret the astronomical spectra. For the main isotopologue extensive data are now available (Endres et al. 2009). However, due to the greatly improved sensitivity of the new observatories isotopic species of abundant molecules like dimethyl ether are appearing in the spectra as well. In this work we present laboratory measurements of singly 13C-substituted dimethyl ether (13CH_3O12CH_3) up to 1.5 THz. More than 1700 transitions of 13CH_3O12CH_3 with rotational quantum numbers up to J = 53 and K = 25 have been analyzed. Based on the laboratory measurements singly 13C-substituted dimethyl ether has been detected for the first time in the spectrum of G327.3-0.6 (Bisschop et al. in prep.) and a preliminary value for the 12C/13C abundance ratio has been determined.

  7. Hydrogen converters

    International Nuclear Information System (INIS)

    Mondino, Angel V.

    2003-01-01

    The National Atomic Energy Commission of Argentina developed a process of 99 Mo production from fission, based on irradiation of uranium aluminide targets with thermal neutrons in the RA-3 reactor of the Ezeiza Atomic Centre. These targets are afterwards dissolved in an alkaline solution, with the consequent liberation of hydrogen as the main gaseous residue. This work deals with the use of a first model of metallic converter and a later prototype of glass converter at laboratory scale, adjusted to the requirements and conditions of the specific redox process. Oxidized copper wires were used, which were reduced to elementary copper at 400 C degrees and then regenerated by oxidation with hot air. Details of the bed structure and the operation conditions are also provided. The equipment required for the assembling in cells is minimal and, taking into account the operation final temperature and the purge with nitrogen, the procedure is totally safe. Finally, the results are extrapolated for the design of a converter to be used in a hot cell. (author)

  8. Pra Desain Pabrik Dimethyl Ether (DME dari Gas Alam

    Directory of Open Access Journals (Sweden)

    Ajeng Puspitasari Yudiputri

    2014-09-01

    Full Text Available Berdasarkan data PT Pertamina (Persero, total konsumsi LPG 2008 mencapai 1,85 juta ton dan 600.000 ton di antaranya untuk program konversi. Pada 2009 kebutuhan LPG akan meningkat menjadi 3,67 juta ton dan 2 juta ton di antaranya untuk program konversi sampai akhir tahun. Namun, sumber pasokan LPG dari dalam negeri diperkirakan tidak akan beranjak dari angka 1,8 juta ton per tahun dalam beberapa tahun mendatang. Sehingga, Indonesia harus menutup kebutuhan dengan mengimpor LPG dalam jumlah cukup besar. Maka dari itu dibutuhkan bahan bakar gas lain yang mampu mengatasi permasalahan yang ditimbulkan tersebut. Dimethyl Ether (DME merupakan senyawa ether yang paling sederhana dengan rumus kimia CH3OCH3. Produksi DME dapat dihasilkan melalui sintesis gas alam. DME berbentuk gas yang tidak berwarna pada suhu ambien, zat kimia yang stabil, dengan titik didih -25,1oC. Tekanan uap DME sekitar 0,6 Mpa pada 25oC dan dapat dicairkan seperti halnya LPG. Viskositas DME 0,12-0,15 kg/ms, setara dengan viskositas propana dan butane (konstituen utama LPG, sehingga infrastruktur untuk LPG dapat juga digunakan untuk DME. Berdasarkan data Departemen ESDM pada Januari 2012, total cadangan gas alam Indonesia tercatat mencapai 150,70 Trillion Square Cubic Feet (TSCF. Berdasarkan jumlah tersebut, sebanyak 103,35 TSCF merupakan gas alam terbukti, sementara 47,35 TSCF sisanya masih belum terbukti. Berdasarkan hal tersebut, diketahui bahwa senyawa DME merupakan senyawa yang sesuai untuk bahan substitusi LPG. Dan ditinjau dari analisa ekonomi, didapatkan besar Investasi : $ 636,447,074.69 ; Internal Rate of Return\t: 20.51%; POT: 4.13 tahun; BEP : 37.36 %; dan NPV 10 year : $ 518,848,692. Dari ketiga parameter sensitifitas yaitu fluktuasi biaya investasi, harga bahan baku, dan harga jual dari produk, terlihat bahwa ketiganya tidak memberikan pengaruh yang cukup signifikan terhadap kenaikan atau penurunan nilai IRR pabrik. Sehingga pabrik DME dari Gas Alam ini layak untuk

  9. DIMETHYL ETHER (DME)-FUELED SHUTTLE BUS DEMONSTRATION PROJECT

    Energy Technology Data Exchange (ETDEWEB)

    Elana M. Chapman; Shirish Bhide; Jennifer Stefanik; Howard Glunt; Andre L. Boehman; Allen Homan; David Klinikowski

    2003-04-01

    The objectives of this research and demonstration program are to convert a campus shuttle bus to operation on dimethyl ether, a potential ultra-clean alternative diesel fuel. To accomplish this objective, this project includes laboratory evaluation of a fuel conversion strategy, as well as, field demonstration of the DME-fueled shuttle bus. Since DME is a fuel with no lubricity (i.e., it does not possess the lubricating quality of diesel fuel), conventional fuel delivery and fuel injection systems are not compatible with dimethylether. Therefore, to operate a diesel engine on DME one must develop a fuel-tolerant injection system, or find a way to provide the necessary lubricity to the DME. In this project, they have chosen the latter strategy in order to achieve the objective with minimal need to modify the engine. The strategy is to blend DME with diesel fuel, to obtain the necessary lubricity to protect the fuel injection system and to achieve low emissions. The bulk of the efforts over the past year were focused on the conversion of the campus shuttle bus. This process, started in August 2001, took until April 2002 to complete. The process culminated in an event to celebrate the launching of the shuttle bus on DME-diesel operation on April 19, 2002. The design of the system on the shuttle bus was patterned after the system developed in the engine laboratory, but also was subjected to a rigorous failure modes effects analysis with help from Dr. James Hansel of Air Products. The result of this FMEA was the addition of layers of redundancy and over-pressure protection to the system on the shuttle bus. The system became operation in February 2002. Preliminary emissions tests and basic operation of the shuttle bus took place at the Pennsylvania Transportation institute's test track facility near the University Park airport. After modification and optimization of the system on the bus, operation on the campus shuttle route began in early June 2002. However, the

  10. 3,5-Dimethyl-4-nitroso-1H-pyrazole

    Directory of Open Access Journals (Sweden)

    Inna Safyanova

    2011-09-01

    Full Text Available In the unit cell of the title compound, C5H7N3O, there are two conformers (A and B which differ in the position of the oxime group with respect to the protonated pyrazole nitrogen (trans in the A conformer and cis in the B conformer and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, molecules are linked by intermolecular N—H...O and N—H...N hydrogen bonds into zigzag-like chains along the b axis.

  11. Hexakis(dimethyl sulfoxide-κOchromium(III trichloride

    Directory of Open Access Journals (Sweden)

    Turganbay S. Iskenderov

    2008-07-01

    Full Text Available In the title compound, [Cr(C2H6OS6]Cl3, each CrIII ion is located on a three-fold inversion axis and is coordinated by six dimethylsulfoxide ligands [Cr—O = 1.970 (2–1.972 (2 Å; O—Cr—O = 88.19 (9 and 91.81 (9°] in a slightly distorted octahedral geometry. The Cl− anions take part in the formation of weak C—H...Cl hydrogen bonds, which contribute to the crystal packing stabilization.

  12. 3,5-Dimethyl-4-nitroso-1H-pyrazole

    Science.gov (United States)

    Safyanova, Inna; Dudarenko, Nikolay M.; Pavlenko, Vadim A.; Iskenderov, Turganbay S.; Haukka, Matti

    2011-01-01

    In the unit cell of the title compound, C5H7N3O, there are two conformers (A and B) which differ in the position of the oxime group with respect to the protonated pyrazole nitro­gen (trans in the A conformer and cis in the B conformer) and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and N—H⋯N hydrogen bonds into zigzag-like chains along the b axis. PMID:22059058

  13. Natural 4-hydroxy-2,5-dimethyl-3(2H)-furanone (Furaneol®).

    Science.gov (United States)

    Schwab, Wilfried

    2013-06-13

    4-Hydroxy-2,5-dimethyl-3(2H)-furanone (HDMF, furaneol®) and its methyl ether 2,5-dimethyl-4-methoxy-3(2H)-furanone (DMMF) are import aroma chemicals and are considered key flavor compounds in many fruit. Due to their attractive sensory properties they are highly appreciated by the food industry. In fruits 2,5-dimethyl-3(2H)-furanones are synthesized by a series of enzymatic steps whereas HDMF is also a product of the Maillard reaction. Numerous methods for the synthetic preparation of these compounds have been published and are applied by industry, but for the development of a biotechnological process the knowledge and availability of biosynthetic enzymes are required. During the last years substantial progress has been made in the elucidation of the biological pathway leading to HDMF and DMMF. This review summarizes the latest advances in this field.

  14. Gas chromatographic--mass spectrometric quantitation of 16, 16-dimethyl-trans-delta 2-PGE1

    Energy Technology Data Exchange (ETDEWEB)

    Dimov, V.; Green, K.; Bygdeman, M.; Konishi, Y.; Imaki, K.; Hayashi, M.

    1983-02-01

    Di-deuterated and di-tritiated 16,16-dimethyl-trans-delta 2-PGE1 has been synthesized and used for development of a GC-MS method for quantitation of corresponding unlabelled drug in patient plasma. Although these carrier/internal standard molecules only contain 2 deuterium atoms the lower limit of detection at each injection is as low as about 40 pg. The maximum plasma levels of this drug following administration of vaginal suppositories used in clinical studies (1 mg 16,16-dimethyl-trans-delta 2-PGE1 methyl ester in 0.8 g Witepsol S-52) were 100-350 pg/ml i.e. in the same order of magnitude as earlier seen for 16,16-dimethyl-PGE2.

  15. Gas chromatographic--mass spectrometric quantitation of 16, 16-dimethyl-trans-delta 2-PGE1

    International Nuclear Information System (INIS)

    Dimov, V.; Green, K.; Bygdeman, M.; Konishi, Y.; Imaki, K.; Hayashi, M.

    1983-01-01

    Di-deuterated and di-tritiated 16,16-dimethyl-trans-delta 2-PGE1 has been synthesized and used for development of a GC-MS method for quantitation of corresponding unlabelled drug in patient plasma. Although these carrier/internal standard molecules only contain 2 deuterium atoms the lower limit of detection at each injection is as low as about 40 pg. The maximum plasma levels of this drug following administration of vaginal suppositories used in clinical studies (1 mg 16,16-dimethyl-trans-delta 2-PGE1 methyl ester in 0.8 g Witepsol S-52) were 100-350 pg/ml i.e. in the same order of magnitude as earlier seen for 16,16-dimethyl-PGE2

  16. Natural 4-Hydroxy-2,5-dimethyl-3(2H-furanone (Furaneol®

    Directory of Open Access Journals (Sweden)

    Wilfried Schwab

    2013-06-01

    Full Text Available 4-Hydroxy-2,5-dimethyl-3(2H-furanone (HDMF, furaneol® and its methyl ether 2,5-dimethyl-4-methoxy-3(2H-furanone (DMMF are import aroma chemicals and are considered key flavor compounds in many fruit. Due to their attractive sensory properties they are highly appreciated by the food industry. In fruits 2,5-dimethyl-3(2H-furanones are synthesized by a series of enzymatic steps whereas HDMF is also a product of the Maillard reaction. Numerous methods for the synthetic preparation of these compounds have been published and are applied by industry, but for the development of a biotechnological process the knowledge and availability of biosynthetic enzymes are required. During the last years substantial progress has been made in the elucidation of the biological pathway leading to HDMF and DMMF. This review summarizes the latest advances in this field.

  17. Synthesis, crystal structure, and spectra of 3,3- dimethyl-1-N-(1'-phenyl-2',3'-dimethyl-5'-oxo-3'- pyrazolin-4'-yl)imino-1,2,3,4-tetrahydroisoquinoline

    International Nuclear Information System (INIS)

    Sokol, V.I.; Ryabov, M.A.; Merkur'eva, N.Yu.; Davydov, V.V.; Zaitsev, B.E.; Shklyaev, Yu.V.; Sergienko, V.S.; Zaitsev, B.E.

    1996-01-01

    The synthesis and the crystal and molecular structure of 3,3-dimethyl-1-N-(1'-phenyl-2',3'- dimethyl-5'-oxo-3'-pyrazolin-4'-yl)imino-1,2,3,4-tetrahydroisoquinoline are reported. As is evidenced by the 1H NMR, IR, and electron spectra, the tautomeric form of the compounds observed in the crystal is also retained in solutions

  18. Electric arc hydrogen heaters

    International Nuclear Information System (INIS)

    Zasypin, I.M.

    2000-01-01

    The experimental data on the electric arc burning in hydrogen are presented. Empirical and semiempirical dependences for calculating the arc characteristics are derived. An engineering method of calculating plasma torches for hydrogen heating is proposed. A model of interaction of a hydrogen arc with a gas flow is outlined. The characteristics of plasma torches for heating hydrogen and hydrogen-bearing gases are described. (author)

  19. Variability in abundance and fluxes of dimethyl sulphide in the Indian Ocean

    Digital Repository Service at National Institute of Oceanography (India)

    Shenoy, D.M.; DileepKumar, M.

    , 285-300 pp. Dacey, J.W.H. and S.G. Wakeham, 1986. Oceanic dimethyl sulfide: production during zooplankton grazing on phytoplankton. Science, 233, 1314-1316. Dickson, D.M., R.G. Wyn Jones and J. Davenport, 1980. Study-state osmotic adaptation.... Seasonal and short-term variability in dimethyl sulfide, sulfur dioxide and biogenic sulfur and sea salt aerosol particles in the arctic marine boundary layer during summer and autumn. Tellus, 48B, 272-299. Liss P.S., G. Malin and S.M. Turner, 1993...

  20. Multicomponent synthesis of 4,4-dimethyl sterol analogues and their effect on eukaryotic cells.

    Science.gov (United States)

    Alonso, Fernando; Cirigliano, Adriana M; Dávola, María Eugenia; Cabrera, Gabriela M; García Liñares, Guadalupe E; Labriola, Carlos; Barquero, Andrea A; Ramírez, Javier A

    2014-06-01

    Most sterols, such as cholesterol and ergosterol, become functional only after the removal of the two methyl groups at C-4 from their biosynthetic precursors. Nevertheless, some findings suggest that 4,4-dimethyl sterols might be involved in specific physiological processes. In this paper we present the synthesis of a collection of analogues of 4,4-dimethyl sterols with a diamide side chain and a preliminary analysis of their in vitro activity on selected biological systems. The key step for the synthesis involves an Ugi condensation, a versatile multicomponent reaction. Some of the new compounds showed antifungal and cytotoxic activity. Copyright © 2014 Elsevier Inc. All rights reserved.

  1. Theoretical and Experimental Studies of N,N-Dimethyl-N'-Picryl-4,4'-Stilbenediamine.

    Science.gov (United States)

    Papper, Vladislav; Wu, Yuanyuan; Kharlanov, Vladimir; Sukharaharja, Ayrine; Steele, Terry W J; Marks, Robert S

    2018-01-01

    N,N-dimethyl-N'-picryl-4,4'-stilbenediamine (DMPSDA) was prepared, purified and crystallised in a form of black lustrous crystals, and its absorption and fluorescence spectra were recorded in cyclohexane, acetonitrile and dimethyl sulfoxide. Non-emissive intramolecular charge transfer state (ICT) was clearly observed in this molecule in all three solvents. Theoretical calculations demonstrating a betaine electronic structure of the trinitrophenyl group in the ground state of the molecule and a charge transfer nature of the long wavelength transition S 0  → S 1 supported the experimental observations of the ICT formation in the molecule.

  2. trans-Dichlorido­bis(3,4-dimethyl­pyridine)platinum(II)

    Science.gov (United States)

    Chernyshev, Alexander N.; Bokach, Nadezhda A.; Izotova, Youlia A.; Haukka, Matti

    2009-01-01

    In the title compound, trans-[PtCl2(C7H9N)2], the PtII atom is located on an inversion center and is coordinated by two 3,4-dimethyl­pyridine ligands and two chloride ligands, resulting in a typical slightly distorted square-planar geometry. The crystallographic inversion centre forces the value of the C—N—N—C torsion angle to be linear and the 3,4-dimethyl-pyridine ligands to be coplanar. PMID:21581530

  3. Measurement of (vapor + liquid) equilibrium for the systems {methanol + dimethyl carbonate} and {methanol + dimethyl carbonate + tetramethylammonium bicarbonate} at p = (34.43, 67.74) kPa

    International Nuclear Information System (INIS)

    Yang Changsheng; Zeng Hao; Yin Xia; Ma Shengyong; Sun Feizhong; Li Yafei; Li Jiao

    2012-01-01

    Highlights: ► VLE data for the binary system and the ternary system were measured. ► Methanol, dimethyl carbonate, and tetramethylammonium bicarbonate were studied. ► Isobaric experimental data were measured at p = (34.43, 67.74) kPa. ► VLE data of binary system were correlated with the Wilson, NRTL, and UNIQUAC models. ► The salt effect of TMAB on the VLE of {methanol + DMC} system was investigated. - Abstract: Isobaric (vapor + liquid) equilibrium (VLE) data for the binary system (methanol + dimethyl carbonate) and the ternary system (methanol + dimethyl carbonate + tetramethylammonium bicarbonate) have been measured at p = (34.43, 67.74) kPa using a modified Rose–Williams still. The experimental data for the binary system were well correlated by Wilson, NRTL, and UNIQUAC activity-coefficient models at the two reduced pressures. All the experimental results of the binary system passed the thermodynamic consistency test by the area test of Redlich–Kister and the point test of Van Ness et al. The experimental results of ternary system show that the salt tetramethylammonium bicarbonate has a salting-in effect on methanol. And this effect enhances when the salt concentration increases.

  4. Trimesic acid dimethyl sulfoxide solvate: space group revision

    Directory of Open Access Journals (Sweden)

    Sylvain Bernès

    2008-07-01

    Full Text Available The structure of the title solvate, C9H6O6·C2H6OS, was determined 30 years ago [Herbstein, Kapon & Wasserman (1978. Acta Cryst. B34, 1613–1617], with data collected at room temperature, and refined in the space group P21. The present redetermination, based on high-resolution diffraction data, shows that the actual space group is more likely to be P21/m. The crystal structure contains layers of trimesic acid molecules lying on mirror planes. A mirror plane also passes through the S and O atoms of the solvent molecule. The molecules in each layer are interconnected through strong O—H...O hydrogen bonds, forming a two-dimensional supramolecular network within each layer. The donor groups are the hydroxyls of the trimesic acid molecules, while the acceptors are the carbonyl or the sulfoxide O atoms.

  5. Why hydrogen; Pourquoi l'hydrogene?

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-02-01

    The energy consumption increase and the associated environmental risks, led to develop new energy sources. The authors present the potentialities of the hydrogen in this context of energy supply safety. They detail the today market and the perspectives, the energy sources for the hydrogen production (fossils, nuclear and renewable), the hydrogen transport, storage, distribution and conversion, the application domains, the associated risks. (A.L.B.)

  6. Hydrogen fuel. Uses

    International Nuclear Information System (INIS)

    Darkrim-Lamari, F.; Malbrunot, P.

    2006-01-01

    Hydrogen is a very energetic fuel which can be used in combustion to generate heat and mechanical energy or which can be used to generate electricity and heat through an electrochemical reaction with oxygen. This article deals with the energy conversion, the availability and safety problems linked with the use of hydrogen, and with the socio-economical consequences of a generalized use of hydrogen: 1 - hydrogen energy conversion: hydrogen engines, aerospace applications, fuel cells (principle, different types, domains of application); 2 - hydrogen energy availability: transport and storage (gas pipelines, liquid hydrogen, adsorbed and absorbed hydrogen in solid materials), service stations; 3 - hazards and safety: flammability, explosibility, storage and transport safety, standards and regulations; 4 - hydrogen economy; 5 - conclusion. (J.S.)

  7. Hydrogen energy systems studies

    Energy Technology Data Exchange (ETDEWEB)

    Ogden, J.M.; Kreutz, T.G.; Steinbugler, M. [Princeton Univ., NJ (United States)] [and others

    1996-10-01

    In this report the authors describe results from technical and economic assessments carried out during the past year with support from the USDOE Hydrogen R&D Program. (1) Assessment of technologies for small scale production of hydrogen from natural gas. Because of the cost and logistics of transporting and storing hydrogen, it may be preferable to produce hydrogen at the point of use from more readily available energy carriers such as natural gas or electricity. In this task the authors assess near term technologies for producing hydrogen from natural gas at small scale including steam reforming, partial oxidation and autothermal reforming. (2) Case study of developing a hydrogen vehicle refueling infrastructure in Southern California. Many analysts suggest that the first widespread use of hydrogen energy is likely to be in zero emission vehicles in Southern California. Several hundred thousand zero emission automobiles are projected for the Los Angeles Basin alone by 2010, if mandated levels are implemented. Assuming that hydrogen vehicles capture a significant fraction of this market, a large demand for hydrogen fuel could evolve over the next few decades. Refueling a large number of hydrogen vehicles poses significant challenges. In this task the authors assess near term options for producing and delivering gaseous hydrogen transportation fuel to users in Southern California including: (1) hydrogen produced from natural gas in a large, centralized steam reforming plant, and delivered to refueling stations via liquid hydrogen truck or small scale hydrogen gas pipeline, (2) hydrogen produced at the refueling station via small scale steam reforming of natural gas, (3) hydrogen produced via small scale electrolysis at the refueling station, and (4) hydrogen from low cost chemical industry sources (e.g. excess capacity in refineries which have recently upgraded their hydrogen production capacity, etc.).

  8. Hydrogen in metals

    CSIR Research Space (South Africa)

    Carter, TJ

    2001-04-01

    Full Text Available .J. Cartera,*, L.A. Cornishb aAdvanced Engineering & Testing Services, MATTEK, CSIR, Private Bag X28, Auckland Park 2006, South Africa bSchool of Process and Materials Engineering, University of the Witwatersrand, Private Bag 3, P.O. WITS 2050, South Africa... are contrasted, and an unusual case study of hydrogen embrittlement of an alloy steel is presented. 7 2001 Published by Elsevier Science Ltd. Keywords: Hydrogen; Hydrogen-assisted cracking; Hydrogen damage; Hydrogen embrittlement 1. Introduction Hydrogen suC128...

  9. Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite

    DEFF Research Database (Denmark)

    Rasmussen, Dominik Bjørn; Christensen, Jakob Munkholt; Temel, Burcin

    2015-01-01

    Unprecedented insight into the carbonylation of dimethyl ether over Mordenite is provided through the identification of ketene (CH2CO) as a reaction intermediate. The formation of ketene is predicted by detailed DFT calculations and verified experimentally by the observation of doubly deuterated ...

  10. Enthalpies of potassium iodide dissolution in dimethyl acetamide mixtures with water

    International Nuclear Information System (INIS)

    Privalova, N.M.; Gritsenko, S.I.; Vorob'ev, A.F.

    1986-01-01

    Enthalpies of potassium iodide dissolution in mixed dimethyl acetamide - water solvent at 298.15 K in the whole range of dimethyl acetamide compositions are measured by the calorimetric method. From the plots of KI dissolution enthalpy dependence and dependence of experimental ΔH p∞ 0 value deviations from calculational ones on solvent composition, as well as from the results of calculation of solvate shell composition of potassium iodide ions in the mixed solvent, it is obvious that in the region of 0-15 mol% concentrations of dimethyl acetamide insufficient enrichment of solvate ion shells by dimethyl acetamide (DMAA) occurs, in the region of 15-40 mol% DMAA compositions enrichment of solvate shells of ions by water occurs, in the region of 40-100 mol% DMAA enrichment of solvate ion shells by the organic component in comparison with mixture compostion occurs. Maximum enrichment of solvate ion shells by mixture components in three above mentioned regions of the mixed solvent occurs at 10, 30 and 80 mol% DMAA concentrations

  11. Thermodynamicy of Catalytic Formation of Dimethyl Ether from Methanol in Acidic Zeolites

    Czech Academy of Sciences Publication Activity Database

    Hyťha, Marek; Štich, I.; Gale, J. D.; Terakura, K.; Payne, M.

    2001-01-01

    Roč. 7, č. 12 (2001), s. 2521-2527 ISSN 0947-6539 Institutional research plan: CEZ:AV0Z1010914 Keywords : dimethyl ether * formation * theoretical study Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.614, year: 2001

  12. 5,5-Dimethyl-2-methylseleno-1,3,2-dioxaphosphorinan-2-one

    Directory of Open Access Journals (Sweden)

    Grzegorz Cholewinski

    2010-04-01

    Full Text Available The title compound, C6H13O3PSe, was obtained in the reaction of 5,5-dimethyl-2-oxo-2-seleno-1,3,2-dioxaphosphorinane potassium salt with methyl iodide. The selenomethyl group is in the axial position in relation to the six-membered dioxaphosphorinane ring.

  13. On-board conversion of methanol to dimethyl ether as an alternative diesel fuel

    Energy Technology Data Exchange (ETDEWEB)

    Armbruster, H; Heinzelmann, G; Struis, R; Stucki, S [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    The catalytic dehydration of methanol to dimethyl ether was investigated for application on-board a methanol fuelled vehicle. Several catalysts have been tested in a fixed bed reactor. Our approach is to develop a small and efficient reactor converting liquid MeOH under pressure and at low reaction temperatures. (author) 2 figs., 5 refs.

  14. On the Origin of Microheterogeneity : A Mass Spectrometric Study of Dimethyl Sulfoxide-Water Binary Mixture

    NARCIS (Netherlands)

    Shin, Dong Nam; Wijnen, Jan W.; Engberts, Jan B.F.N.; Wakisaka, Akihiro

    2001-01-01

    We have studied the microscopic solvent structure of dimethyl sulfoxide-water mixtures and its influence on the solvation structure of solute from a clustering point of View, by means of a specially designed mass spectrometric system. It was observed that the propensity to the cluster formation is

  15. Electrochemical stability and transformations of fluorinated poly(2,6-dimethyl-1,4-phenylene oxide)

    NARCIS (Netherlands)

    Pud, A.A.; Rogalsky, S.P.; Ghapoval, G.S.; Kharitonov, A.P.; Kemperman, Antonius J.B.

    2000-01-01

    Fluorination of poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) leads to narrowing of its window of electrochemical stability in a cathodic range of potentials. It is found this is connected with appearance of both perfluorinated and incompletely fluorinated units in the polymer. The former units are

  16. The industrial production of dimethyl carbonate from methanol and carbon dioxide

    NARCIS (Netherlands)

    De Groot, Frank F T; Lammerink, Roy R G J; Heidemann, Casper; Van Der Werff, Michiel P M; Garcia, Taiga Cafiero; Van Der Ham, Louis A G J; Van Den Berg, Henk

    2014-01-01

    This work discusses the design of a dimethyl carbonate (DMC) production plant based on methanol and CO2 as feed materials, which are a cheap and environment-friendly feedstock. DMC is a good alternative for methyl-tert-butyl ether (MTBE) as a fuel oxygenating agent, due to its low toxicity and fast

  17. Controls of dimethyl sulphide in the Bay of Bengal during BOBMEX-Pilot cruise 1998

    Digital Repository Service at National Institute of Oceanography (India)

    Shenoy, D.M.; DileepKumar, M.; Sarma, V.V.S.S

    The air-sea exchange is one of the main mechanisms maintaining the abundances of trace gases in the atmosphere. Some of these, such as carbon dioxide and dimethyl sulphide (DMS), will have a bearing on the atmospheric heat budget. While the former...

  18. Volatile Organic Sulfur Compounds of Environmental Interest: Dimethyl Sulfide and Methanethiol

    Science.gov (United States)

    Chasteen, Thomas G.; Bentley, Ronald

    2004-01-01

    Volatile organic sulfur compounds (VOSCs) have been assigned environmental roles in global warming, acid precipitation, and cloud formation where two important members dimethyl sulfide (CH3)2 S, DMS, and methanethiol, CH3SH, MT, of VOSC group are involved.

  19. Boltorn-Modified Poly(2,6-dimethyl-1,4,phenylene oxide) Gas Separation Membranes

    NARCIS (Netherlands)

    Sterescu, D.M.; Stamatialis, Dimitrios; Mendes, Eduardo; Kruse, Jan; Rätzke, Klaus; Faupel, Franz; Wessling, Matthias

    2007-01-01

    This paper describes the preparation, characterization and the permeation properties of poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) dense polymer films containing aliphatic hyperbranched polyesters, Boltorn (H20, H30, and H40). The Boltorn are dispersed in PPO at various concentrations. The gas

  20. Fuel Cell and Hydrogen Technologies Program | Hydrogen and Fuel Cells |

    Science.gov (United States)

    NREL Fuel Cell and Hydrogen Technologies Program Fuel Cell and Hydrogen Technologies Program Through its Fuel Cell and Hydrogen Technologies Program, NREL researches, develops, analyzes, and validates fuel cell and hydrogen production, delivery, and storage technologies for transportation

  1. Dynamics of hydrogen in hydrogenated amorphous silicon

    Indian Academy of Sciences (India)

    is mobile and can easily move through the material). Hydrogen diffuses ... The determination of the relationship of light-enhanced hydrogen motion to ... term is negligible, and using the thermodynamic relation given below f(c) = kBT .... device-applications problematic but the normal state can be recovered by a thermal an-.

  2. Handbook of hydrogen energy

    CERN Document Server

    Sherif, SA; Stefanakos, EK; Steinfeld, Aldo

    2014-01-01

    ""This book provides an excellent overview of the hydrogen economy and a thorough and comprehensive presentation of hydrogen production and storage methods.""-Scott E. Grasman, Rochester Institute of Technology, New York, USA

  3. Hydrogen production by Cyanobacteria

    Directory of Open Access Journals (Sweden)

    Chaudhuri Surabhi

    2005-12-01

    Full Text Available Abstract The limited fossil fuel prompts the prospecting of various unconventional energy sources to take over the traditional fossil fuel energy source. In this respect the use of hydrogen gas is an attractive alternate source. Attributed by its numerous advantages including those of environmentally clean, efficiency and renew ability, hydrogen gas is considered to be one of the most desired alternate. Cyanobacteria are highly promising microorganism for hydrogen production. In comparison to the traditional ways of hydrogen production (chemical, photoelectrical, Cyanobacterial hydrogen production is commercially viable. This review highlights the basic biology of cynobacterial hydrogen production, strains involved, large-scale hydrogen production and its future prospects. While integrating the existing knowledge and technology, much future improvement and progress is to be done before hydrogen is accepted as a commercial primary energy source.

  4. Center for Hydrogen Storage.

    Science.gov (United States)

    2013-06-01

    The main goals of this project were to (1) Establish a Center for Hydrogen Storage Research at Delaware State University for the preparation and characterization of selected complex metal hydrides and the determination their suitability for hydrogen ...

  5. The effect of gasses on the viscosity of dimethyl ether

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Jakobsen, Jørgen

    2008-01-01

    media, but their effect on DME viscosity is unknown. Argon (Ar), nitrogen (NA carbon dioxide (CO2), hydrogen (H-2) and propane (C3H8) have been investigated at pressure levels of 12-15 bar. A Cannon-Manning semi-micro capillary glass viscometer, size 25, enclosed in a cylindrical pressure container......, of glass, submerged completely in a constant temperature bath, has been used. A distinct reduction of efflux times was found only for the gas, CO2. The reduction in efflux time was about 9%. The kinematic viscosity of pure DME was determined to be: 0.188 +/- 0.001 cSt, 25 degrees C. A previously reported...... viscosity of pure DME has been corrected for the surface tension effect. Viscosity determination was initially based on a direct comparison of efflux times of DME with that of distilled water. The calculation gave a revised viscosity of 0.186 +/- 0.002 cSt, 25 degrees C, consistent with the above...

  6. Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, and DFT calculations of 1,4-dimethyl-2-oxo-pyrimido[1,2-a]benzimidazole hydrate

    Science.gov (United States)

    El Bakri, Youness; Anouar, El Hassane; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.

    2018-01-01

    Imidazopyrimidine derivatives are organic synthesized compounds with a pyrimido[1,2-a]benzimidazole as basic skeleton. They are known for their various biological properties and as an important class of compounds in medicinal chemistry. A new 1,4-dimethyl-2-oxo-pyrimido[1,2-a]benzimidazole hydrate derivative of the tilted group has been synthesized and characterized by spectroscopic techniques NMR and FT-IR; and by a single crystal X-ray diffraction. The X-ray results showed that the tricyclic core of the title compound, C12H11N3O·H2O, is almost planar. The molecules stack along the a-axis direction in head-to- tail fashion through π-stacking interactions involving all three rings. The stacks are tied together by direct Csbnd H⋯O hydrogen bonds and by Osbnd H⋯O, Osbnd N⋯N and Csbnd H⋯O hydrogen bonds with the lattice water. DFT calculations at B3LYP/6-311++G(d,p) in gas phase an polarizable continuum model have been carried out to predict the spectral and geometrical data of the tilted compound. The obtained results showed relatively good correlations between the predicted and experimental data with correlation coefficients higher than 98%.

  7. (Carbonato-κ(2)O,O')bis-(5,5'-dimethyl-2,2'-bipyridyl-κ(2)N,N')cobalt(III) bromide trihydrate.

    Science.gov (United States)

    Arun Kumar, Kannan; Meera, Parthsarathi; Amutha Selvi, Madhavan; Dayalan, Arunachalam

    2012-04-01

    In the title complex, [Co(CO(3))(C(12)H(12)N(2))(2)]Br·3H(2)O, the Co(III) cation has a distorted octa-hedral coordination environment. It is chelated by four N atoms of two different 5,5'-dimethyl-2,2'-bipyridyl (dmbpy) ligands in axial and equatorial positions, and by two O atoms of a carbonate anion completing the equatorial positions. Although the water mol-ecules are disordered and their H atoms were not located, there are typical O⋯O distances between 2.8 and 3.0 Å, indicating O-H⋯O hydrogen bonding. The crystal packing is consolidated by C-H⋯O and C-H⋯Br hydrogen bonds, as well as π-π stacking inter-actions between adjacent pyridine rings of the dmbpy ligands, with centroid-centroid distances of 3.694 (3) and 3.7053 (3) Å.

  8. Conformational analysis of 2,2'-arylmethylene bis(3-hydroxy-5,5-dimethyl-2-cyclohexene-1-one) by NMR and molecular modeling

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Marcelle de S.; Figueroa-Villar, Jose D., E-mail: jdfv2009@gmail.com [Instituto Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil). Dept. de Quimica. Grupo de Medicina Quimica

    2014-05-15

    2,2'-arylmethylene bis(3-hydroxy-5,5-dimethyl-2-cyclohexene-1-ones) with para and ortho-R groups on the benzene ring were prepared and studied by nuclear magnetic resonance (NMR) and molecular modeling to determine their conformational exchanges. Experimental and calculated results indicated conformational interconversions in these compounds by rotation of benzene ring and slow movement of dimedone rings, leading to intramolecular hydrogen bond length variation. The presence of one R group at the ortho position on the benzene ring modifies conformational exchange, leading to disappearance of one intramolecular hydrogen bond and superposition of diverse NMR signals. The correlation of σ{sub p} values with chemical shifts, angles and atomic charges confirms that para-R groups electronic properties are involved in conformational exchange and chemical shift variance. These results will be used to study the interaction of these compounds with bio-molecules and their use as starting materials for design and synthesis of new bioactive agents. (author)

  9. Nuclear electrolytic hydrogen

    International Nuclear Information System (INIS)

    Barnstaple, A.G.; Petrella, A.J.

    1982-05-01

    An extensive study of hydrogen supply has recently been carried out by Ontario Hydro which indicates that electrolytic hydrogen produced from nuclear electricity could offer the lowest cost option for any future large scale hydrogen supply in the Province of Ontario, Canada. This paper provides a synopsis of the Ontario Hydro study, a brief overview of the economic factors supporting the study conclusion and discussion of a number of issues concerning the supply of electrolytic hydrogen by electric power utilities

  10. Hydrogen Technologies Safety Guide

    Energy Technology Data Exchange (ETDEWEB)

    Rivkin, C. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Burgess, R. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Buttner, W. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2015-01-01

    The purpose of this guide is to provide basic background information on hydrogen technologies. It is intended to provide project developers, code officials, and other interested parties the background information to be able to put hydrogen safety in context. For example, code officials reviewing permit applications for hydrogen projects will get an understanding of the industrial history of hydrogen, basic safety concerns, and safety requirements.

  11. Hydrogen-metal systems

    International Nuclear Information System (INIS)

    Wenzl, H.; Springer, T.

    1976-01-01

    A survey is given on the alloys of metal crystals with hydrogen. The system niobium-hydrogen and its properties are especially dealt with: diffusion and heat of solution of hydrogen in the host crystal, phase diagram, coherent and incoherent phase separation, application of metal-hydrogen systems in technology. Furthermore, examples from research work in IFF (Institut fuer Festkoerperforschung) of the Nuclear Research Plant, Juelich, in the field of metal-H systems are given in summary form. (GSC) [de

  12. Controle da podridão parda do pessegueiro com fungicidas e fosfitos avaliados em pré e pós-colheita Control of peach tree brown rot by fungicides and phosphites evaluated during preharvest and postharvest

    Directory of Open Access Journals (Sweden)

    Luciene Martins Moreira

    2009-04-01

    Full Text Available A podridão parda é a doença mais importante para a cultura do pessegueiro, entretanto, no Brasil são escassos os trabalhos realizados a campo visando o seu controle. Objetivou-se, neste trabalho, selecionar fungicidas em laboratório e avaliar a sua eficiência e de fosfitos a campo, para o controle da podridão parda monitorando as fases de desenvolvimento de frutos e pós-colheita, além de avaliar as características qualitativas dos frutos. O experimento de campo foi realizado com seis tratamentos e quatro repetições: três fungicidas pré-selecionados in vitro (iminoctadine tris albesilate, myclobutanil e iprodione, dois fosfitos (CaB e de K e testemunha. Foi avaliada a incidência de infecções latentes de Monilinia fructicola em frutos em desenvolvimento e em frutos maduros após a colheita. Para os frutos em desenvolvimento observou-se maior incidência nas duas últimas coletas. No campo, o iprodione e o iminoctadine mostraram eficiência no controle da doença durante as avaliações. Após três dias no ambiente o iminoctadine foi melhor que os demais tratamentos mantendo a incidência da podridão parda em 1,0% contra 31,4% no tratamento com iprodione e 91,2% na testemunha. O fosfito de CaB não mostrou diferença em relação à testemunha no decorrer das avaliações, mas o fosfito de K, reduziu em 60 e 28% o número de frutos doentes aos três e cinco dias, respectivamente, em relação à testemunha. Quanto aos parâmetros de qualidade, o peso médio dos frutos, o diâmetro e a firmeza da polpa, não mostraram diferenças significativas em relação à testemunha.Brown rot is the most important disease in peach tree cultivation, but field studies with control methods are currently rare in Brazil. One of the objectives of this study was to select fungicides in the laboratory then test them in the field, additionally to phosphites, for the control of the brown rot. The control was performed by observing the fruit development

  13. Hydrogenation of passivated contacts

    Energy Technology Data Exchange (ETDEWEB)

    Nemeth, William; Yuan, Hao-Chih; LaSalvia, Vincenzo; Stradins, Pauls; Page, Matthew R.

    2018-03-06

    Methods of hydrogenation of passivated contacts using materials having hydrogen impurities are provided. An example method includes applying, to a passivated contact, a layer of a material, the material containing hydrogen impurities. The method further includes subsequently annealing the material and subsequently removing the material from the passivated contact.

  14. CCDC 949811: Experimental Crystal Structure Determination : bis(2,9-Dimethyl-1,10-phenanthroline)-copper hydrogen difluoride monohydrate

    KAUST Repository

    Liu, Yanpin

    2014-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  15. CCDC 949811: Experimental Crystal Structure Determination : bis(2,9-Dimethyl-1,10-phenanthroline)-copper hydrogen difluoride monohydrate

    KAUST Repository

    Liu, Yanpin; Chen, Chaohuang; Li, Huaifeng; Huang, Kuo-Wei; Tan, Jianwei; Weng, Zhiqiang

    2014-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from

  16. One-step synthesis of dimethyl ether from the gas mixture containing CO2 with high space velocity

    International Nuclear Information System (INIS)

    Chen, Wei-Hsin; Lin, Bo-Jhih; Lee, How-Ming; Huang, Men-Han

    2012-01-01

    Highlights: ► A bifunctional catalyst for DME synthesis is prepared using a coprecipitation method. ► The DME synthesis from syngas at a high space velocity of is investigated. ► The reaction is dominated by chemical kinetics at lower reaction temperatures. ► Thermodynamic equilibrium governs the reaction at higher temperatures. ► 0.2 g of ZSM5 is sufficient to be blended with 1 g of the catalyst for DME synthesis. -- Abstract: Dimethyl ether (DME) has been considered as a potential hydrogen carrier used in fuel cells; it can also be consumed as a diesel substitute or chemicals. To develop the technique of DME synthesis, a bifunctional Cu–ZnO–Al 2 O 3 /ZSM5 catalyst is prepared using a coprecipitation method. The reaction characteristics of DME synthesis from syngas at a high space velocity of 15,000 mL (g cat h) −1 are investigated and the effects of reaction temperature, pressure, CO 2 concentration and ZSM5 amount on the synthesis are taken into account. The results suggest that an increase in CO 2 concentration in the feed gas substantially decreases the DME formation. The optimum reaction temperature always occurs at 225 °C, regardless of what the pressure is. It is thus recognized that the DME synthesis is governed by two different mechanisms when the reaction temperature varies. At lower reaction temperatures ( 225 °C). For the CO 2 content of 5 vol.% and the pressure of 40 atm, the maximum DME yield is 1.89 g (g cat h) −1 . It is also found that 0.2 g of ZSM5 is sufficient to be blended with 1 g of the catalyst for DME synthesis.

  17. Triptycene dimethyl-bridgehead dianhydride-based intrinsically microporous hydroxyl-functionalized polyimide for natural gas upgrading

    KAUST Repository

    Alghunaimi, Fahd

    2016-07-28

    The synthesis and gas permeation properties of a high-performance hydroxyl-functionalized PIM-polyimide (TDA1-APAF) prepared from a novel 9,10-dimethyl-2,3,6,7-triptycene tetracarboxylic dianhydride (TDA1) and a commercially available 2,2-bis(3-amino-4-hydroxyphenyl)-hexafluoropropane (APAF) diamine monomer are reported. The microporous polymer had a BET surface area based on nitrogen adsorption of 260 m2 g−1. A freshly prepared sample exhibited excellent gas permeation properties: (i) CO2 permeability of 40 Barrer coupled with a CO2/CH4 selectivity of 55 and (ii) H2 permeability of 94 Barrer with a H2/CH4 selectivity of 129. Physical aging over 250 days resulted in significantly enhanced CO2/CH4 and H2/CH4 selectivities of 75 and 183, respectively with only ~ 25% loss in CO2 and H2 permeability. Aged TDA1-APAF exhibited 5-fold higher pure-gas CO2 permeability (30 Barrer) and two-fold higher CO2/CH4 permselectivity over conventional dense cellulose triacetate membranes at 2 bar. In addition, TDA1-APAF polyimide had a N2/CH4 selectivity of 2.3, thereby making it potentially possible to bring natural gas with low, but unacceptable nitrogen content to pipeline specification. Gas mixture permeation experiments with a 1:1 CO2/CH4 feed mixture demonstrated higher mixed- than pure-gas selectivity and plasticization resistance up to 30 bar. These results suggest that intrinsically microporous hydroxyl-functionalized triptycene-based polyimides are promising candidate membrane materials for removal of CO2 from natural gas and hydrogen purification in petrochemical refinery applications.

  18. Hydrogen separation process

    Science.gov (United States)

    Mundschau, Michael [Longmont, CO; Xie, Xiaobing [Foster City, CA; Evenson, IV, Carl; Grimmer, Paul [Longmont, CO; Wright, Harold [Longmont, CO

    2011-05-24

    A method for separating a hydrogen-rich product stream from a feed stream comprising hydrogen and at least one carbon-containing gas, comprising feeding the feed stream, at an inlet pressure greater than atmospheric pressure and a temperature greater than 200.degree. C., to a hydrogen separation membrane system comprising a membrane that is selectively permeable to hydrogen, and producing a hydrogen-rich permeate product stream on the permeate side of the membrane and a carbon dioxide-rich product raffinate stream on the raffinate side of the membrane. A method for separating a hydrogen-rich product stream from a feed stream comprising hydrogen and at least one carbon-containing gas, comprising feeding the feed stream, at an inlet pressure greater than atmospheric pressure and a temperature greater than 200.degree. C., to an integrated water gas shift/hydrogen separation membrane system wherein the hydrogen separation membrane system comprises a membrane that is selectively permeable to hydrogen, and producing a hydrogen-rich permeate product stream on the permeate side of the membrane and a carbon dioxide-rich product raffinate stream on the raffinate side of the membrane. A method for pretreating a membrane, comprising: heating the membrane to a desired operating temperature and desired feed pressure in a flow of inert gas for a sufficient time to cause the membrane to mechanically deform; decreasing the feed pressure to approximately ambient pressure; and optionally, flowing an oxidizing agent across the membrane before, during, or after deformation of the membrane. A method of supporting a hydrogen separation membrane system comprising selecting a hydrogen separation membrane system comprising one or more catalyst outer layers deposited on a hydrogen transport membrane layer and sealing the hydrogen separation membrane system to a porous support.

  19. Dimethyl Fumarate Protects Neural Stem/Progenitor Cells and Neurons from Oxidative Damage through Nrf2-ERK1/2 MAPK Pathway

    Directory of Open Access Journals (Sweden)

    Qin Wang

    2015-06-01

    Full Text Available Multiple sclerosis (MS is the most common multifocal inflammatory demyelinating disease of the central nervous system (CNS. Due to the progressive neurodegenerative nature of MS, developing treatments that exhibit direct neuroprotective effects are needed. Tecfidera™ (BG-12 is an oral formulation of the fumaric acid esters (FAE, containing the active metabolite dimethyl fumarate (DMF. Although BG-12 showed remarkable efficacy in lowering relapse rates in clinical trials, its mechanism of action in MS is not yet well understood. In this study, we reported the potential neuroprotective effects of dimethyl fumarate (DMF on mouse and rat neural stem/progenitor cells (NPCs and neurons. We found that DMF increased the frequency of the multipotent neurospheres and the survival of NPCs following oxidative stress with hydrogen peroxide (H2O2 treatment. In addition, utilizing the reactive oxygen species (ROS assay, we showed that DMF reduced ROS production induced by H2O2. DMF also decreased oxidative stress-induced apoptosis. Using motor neuron survival assay, DMF significantly promoted survival of motor neurons under oxidative stress. We further analyzed the expression of oxidative stress-induced genes in the NPC cultures and showed that DMF increased the expression of transcription factor nuclear factor-erythroid 2-related factor 2 (Nrf2 at both levels of RNA and protein. Furthermore, we demonstrated the involvement of Nrf2-ERK1/2 MAPK pathway in DMF-mediated neuroprotection. Finally, we utilized SuperArray gene screen technology to identify additional anti-oxidative stress genes (Gstp1, Sod2, Nqo1, Srxn1, Fth1. Our data suggests that analysis of anti-oxidative stress mechanisms may yield further insights into new targets for treatment of multiple sclerosis (MS.

  20. (C2N2H10)[Fe xV1-x(HPO3)F3] (x = 0.44, 0.72): Two new organically templated phosphites

    International Nuclear Information System (INIS)

    Cisneros, Jose L.; Fernandez-Armas, Sergio; Mesa, Jose L.; Pizarro, Jose L.; Arriortua, Maria I.; Rojo, Teofilo

    2006-01-01

    (C 2 N 2 H 10 )[Fe x V 1-x (HPO 3 )F 3 ] (x = 0.44, 0.72) have been synthesized using mild solvothermal conditions under autogenous pressure and the ethylenediamine molecule as templating agent. The crystal structures have been determined from X-ray single-crystal diffraction data. The compounds crystallize in the orthorhombic P2 1 2 1 2 1 space group with Z = 4 and unit-cell parameters a = 12.8494(9), b = 9.5430(6), c = 6.4372(5) A, and a = 12.8578(1), b = 9.5342(1), c = 6.4370(7) A for (C 2 N 2 H 10 )[Fe 0.44 V 0.56 (HPO 3 )F 3 ] and (C 2 N 2 H 10 )[Fe 0.72 V 0.28 (HPO 3 )F 3 ] (1) and (2), respectively. These isostructural compounds exhibit a monodimensional crystal structure formed by pillared double anionic chains with the formula [M(HPO 3 )F 3 ] 2- , extended along the [0 0 1] direction. These doubled ionic chains are the result of the linking of two simple chains in which there are alternating octahedral [MO 3 F 3 ] and tetrahedral groups [HPO 3 ]. The ethylendiammonium cations are placed in the space delimited by three different chains. The metallic ions are interconnected by the pseudo-pyramidal (HPO 3 ) 2- phosphite oxoanions, adopting a slightly distorted octahedral geometry. The IR spectra show bands corresponding to the phosphite oxoanion and the ethylendiamonium cation at 2400 and 1600 cm -1 , respectively. The thermogravimetric analyses show that these phases are stable up to ca. 280 deg. C, at higher temperatures, the decomposition of the crystal structure begins by calcination of the organic cation and the elimination of the fluoride anions. The diffuse reflectance spectra show bands of the V 3+ ion (d 2 ) in octahedral symmetry. The values of the Dq (1540, 1540 cm -1 ), and Racah parameters, B (560, 535 cm -1 ) and C (3055, 3140 cm -1 ) for (1) and (2), respectively, correspond with those usually found for octahedrically coordinated V(III) compounds. Magnetic measurements, performed on a powered sample from 5.0 to 300 K at 1000 G, in the ZFC and

  1. Solar Hydrogen Reaching Maturity

    Directory of Open Access Journals (Sweden)

    Rongé Jan

    2015-09-01

    Full Text Available Increasingly vast research efforts are devoted to the development of materials and processes for solar hydrogen production by light-driven dissociation of water into oxygen and hydrogen. Storage of solar energy in chemical bonds resolves the issues associated with the intermittent nature of sunlight, by decoupling energy generation and consumption. This paper investigates recent advances and prospects in solar hydrogen processes that are reaching market readiness. Future energy scenarios involving solar hydrogen are proposed and a case is made for systems producing hydrogen from water vapor present in air, supported by advanced modeling.

  2. Canada's hydrogen energy sector

    International Nuclear Information System (INIS)

    Kimmel, T.B.

    2009-01-01

    Canada produces the most hydrogen per capita of any Organization of Economic Cooperation and Development (OECD) country. The majority of this hydrogen is produced by steam methane reforming for industrial use (predominantly oil upgrading and fertilizer production). Canada also has a world leading hydrogen and fuel cell sector. This sector is seeking new methods for making hydrogen for its future energy needs. The paper will discuss Canada's hydrogen and fuel cell sector in the context of its capabilities, its demonstration and commercialization activities and its stature on the world stage. (author)

  3. Hydrogen energy assessment

    Energy Technology Data Exchange (ETDEWEB)

    Salzano, F J; Braun, C [eds.

    1977-09-01

    The purpose of this assessment is to define the near term and long term prospects for the use of hydrogen as an energy delivery medium. Possible applications of hydrogen are defined along with the associated technologies required for implementation. A major focus in the near term is on industrial uses of hydrogen for special applications. The major source of hydrogen in the near term is expected to be from coal, with hydrogen from electric sources supplying a smaller fraction. A number of potential applications for hydrogen in the long term are identified and the level of demand estimated. The results of a cost benefit study for R and D work on coal gasification to hydrogen and electrolytic production of hydrogen are presented in order to aid in defining approximate levels of R and D funding. A considerable amount of data is presented on the cost of producing hydrogen from various energy resources. A key conclusion of the study is that in time hydrogen is likely to play a role in the energy system; however, hydrogen is not yet competitive for most applications when compared to the cost of energy from petroleum and natural gas.

  4. Hydrogen energy for beginners

    CERN Document Server

    2013-01-01

    This book highlights the outstanding role of hydrogen in energy processes, where it is the most functional element due to its unique peculiarities that are highlighted and emphasized in the book. The first half of the book covers the great natural hydrogen processes in biology, chemistry, and physics, showing that hydrogen is a trend that can unite all natural sciences. The second half of the book is devoted to the technological hydrogen processes that are under research and development with the aim to create the infrastructure for hydrogen energetics. The book describes the main features of hydrogen that make it inalienable player in processes such as fusion, photosynthesis, and metabolism. It also covers the methods of hydrogen production and storage, highlighting at the same time the exclusive importance of nanotechnologies in those processes.

  5. Hydrogen peroxide safety issues

    International Nuclear Information System (INIS)

    Conner, W.V.

    1993-01-01

    A literature survey was conducted to review the safety issues involved in handling hydrogen peroxide solutions. Most of the information found in the literature is not directly applicable to conditions at the Rocky Flats Plant, but one report describes experimental work conducted previously at Rocky Flats to determine decomposition reaction-rate constants for hydrogen peroxide solutions. Data from this report were used to calculate decomposition half-life times for hydrogen peroxide in solutions containing several decomposition catalysts. The information developed from this survey indicates that hydrogen peroxide will undergo both homogeneous and heterogeneous decomposition. The rate of decomposition is affected by temperature and the presence of catalytic agents. Decomposition of hydrogen peroxide is catalyzed by alkalies, strong acids, platinum group and transition metals, and dissolved salts of transition metals. Depending upon conditions, the consequence of a hydrogen peroxide decomposition can range from slow evolution of oxygen gas to a vapor, phase detonation of hydrogen peroxide vapors

  6. Hydrogen and its challenges

    International Nuclear Information System (INIS)

    Schal, M.

    2008-01-01

    The future of hydrogen as a universal fuel is in jeopardy unless we are able to produce it through an environment-friendly way and at a competitive cost. Today almost all the hydrogen used in the world is produced by steam reforming of natural gas. This process releases 8 tonnes of CO 2 per tonne of hydrogen produced. Other means of producing hydrogen are the hydrolysis, the very high temperature hydrolysis, and the direct chemical dissociation of water, these processes are greener than steam reforming but less efficient. About one hundred buses in the world operate on fuel cells fed by hydrogen, but it appears that the first industrial use of hydrogen at great scale will be for the local generation of electricity. Globally the annual budget for research concerning hydrogen is 4.4 milliard (10 9 ) euros worldwide. (A.C.)

  7. Hydrogen - From hydrogen to energy production

    International Nuclear Information System (INIS)

    Klotz, Gregory

    2005-01-01

    More than a century ago, Jules Verne wrote in 'The Mysterious Island' that water would one day be employed as fuel: 'Hydrogen and oxygen, which constitute it, used singly or together, will furnish an inexhaustible source of heat and light'. Today, the 'water motor' is not entirely the dream of a writer. Fiction is about to become fact thanks to hydrogen, which can be produced from water and when burned in air itself produces water. Hydrogen is now at the heart of international research. So why do we have such great expectations of hydrogen? 'Hydrogen as an energy system is now a major challenge, both scientifically and from an environmental and economic point of view'. Dominated as it is by fossil fuels (oil, gas and coal), our current energy system has left a dual threat hovering over our environment, exposing the planet to the exhaustion of its natural reserves and contributing to the greenhouse effect. If we want sustainable development for future generations, it is becoming necessary to diversify our methods of producing energy. Hydrogen is not, of course, a source of energy, because first it has to be produced. But it has the twofold advantage of being both inexhaustible and non-polluting. So in the future, it should have a very important role to play. (author)

  8. Hydrogen Filling Station

    Energy Technology Data Exchange (ETDEWEB)

    Boehm, Robert F; Sabacky, Bruce; Anderson II, Everett B; Haberman, David; Al-Hassin, Mowafak; He, Xiaoming; Morriseau, Brian

    2010-02-24

    Hydrogen is an environmentally attractive transportation fuel that has the potential to displace fossil fuels. The Freedom CAR and Freedom FUEL initiatives emphasize the importance of hydrogen as a future transportation fuel. Presently, Las Vegas has one hydrogen fueling station powered by natural gas. However, the use of traditional sources of energy to produce hydrogen does not maximize the benefit. The hydrogen fueling station developed under this grant used electrolysis units and solar energy to produce hydrogen fuel. Water and electricity are furnished to the unit and the output is hydrogen and oxygen. Three vehicles were converted to utilize the hydrogen produced at the station. The vehicles were all equipped with different types of technologies. The vehicles were used in the day-to-day operation of the Las Vegas Valley Water District and monitoring was performed on efficiency, reliability and maintenance requirements. The research and demonstration utilized for the reconfiguration of these vehicles could lead to new technologies in vehicle development that could make hydrogen-fueled vehicles more cost effective, economical, efficient and more widely used. In order to advance the development of a hydrogen future in Southern Nevada, project partners recognized a need to bring various entities involved in hydrogen development and deployment together as a means of sharing knowledge and eliminating duplication of efforts. A road-mapping session was held in Las Vegas in June 2006. The Nevada State Energy Office, representatives from DOE, DOE contractors and LANL, NETL, NREL were present. Leadership from the National hydrogen Association Board of Directors also attended. As a result of this session, a roadmap for hydrogen development was created. This roadmap has the ability to become a tool for use by other road-mapping efforts in the hydrogen community. It could also become a standard template for other states or even countries to approach planning for a hydrogen

  9. Noval 1-substituted-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazole derivatives: Synthesis and pharmacological activity

    Directory of Open Access Journals (Sweden)

    Sabir Hussain

    2015-05-01

    Full Text Available Several-1-carbothioamide-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 2a–d, 1-(pyridine-4-ylcarbonyl-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 3a–d, 1-(5-chloro-6-fluoro-1,3-benzothiazole-2-ylthiocarbamoyl-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 4a–d and 1-[(1,2,4-triazole-4-yl carbothioamide]-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 5a–d were synthesized. The structures of the newly synthesized compounds were supported by IR, 1H NMR and mass spectral data. These compounds were investigated for their, anti-inflammatory, analgesic, ulcerogenic, lipid peroxidation, antibacterial and antifungal activities. Some of the synthesized compounds showed potent anti-inflammatory activity along with minimal ulcerogenic effect and lipid peroxidation, compared to ibuprofen and flurbiprofen. Some of the tested compounds also showed moderate antimicrobial activity against tested bacterial and fungal strains.

  10. Ultrafine hydrogen storage powders

    Science.gov (United States)

    Anderson, Iver E.; Ellis, Timothy W.; Pecharsky, Vitalij K.; Ting, Jason; Terpstra, Robert; Bowman, Robert C.; Witham, Charles K.; Fultz, Brent T.; Bugga, Ratnakumar V.

    2000-06-13

    A method of making hydrogen storage powder resistant to fracture in service involves forming a melt having the appropriate composition for the hydrogen storage material, such, for example, LaNi.sub.5 and other AB.sub.5 type materials and AB.sub.5+x materials, where x is from about -2.5 to about +2.5, including x=0, and the melt is gas atomized under conditions of melt temperature and atomizing gas pressure to form generally spherical powder particles. The hydrogen storage powder exhibits improved chemcial homogeneity as a result of rapid solidfication from the melt and small particle size that is more resistant to microcracking during hydrogen absorption/desorption cycling. A hydrogen storage component, such as an electrode for a battery or electrochemical fuel cell, made from the gas atomized hydrogen storage material is resistant to hydrogen degradation upon hydrogen absorption/desorption that occurs for example, during charging/discharging of a battery. Such hydrogen storage components can be made by consolidating and optionally sintering the gas atomized hydrogen storage powder or alternately by shaping the gas atomized powder and a suitable binder to a desired configuration in a mold or die.

  11. Canadian hydrogen safety program

    International Nuclear Information System (INIS)

    MacIntyre, I.; Tchouvelev, A.V.; Hay, D.R.; Wong, J.; Grant, J.; Benard, P.

    2007-01-01

    The Canadian hydrogen safety program (CHSP) is a project initiative of the Codes and Standards Working Group of the Canadian transportation fuel cell alliance (CTFCA) that represents industry, academia, government, and regulators. The Program rationale, structure and contents contribute to acceptance of the products, services and systems of the Canadian Hydrogen Industry into the Canadian hydrogen stakeholder community. It facilitates trade through fair insurance policies and rates, effective and efficient regulatory approval procedures and accommodation of the interests of the general public. The Program integrates a consistent quantitative risk assessment methodology with experimental (destructive and non-destructive) failure rates and consequence-of-release data for key hydrogen components and systems into risk assessment of commercial application scenarios. Its current and past six projects include Intelligent Virtual Hydrogen Filling Station (IVHFS), Hydrogen clearance distances, comparative quantitative risk comparison of hydrogen and compressed natural gas (CNG) refuelling options; computational fluid dynamics (CFD) modeling validation, calibration and enhancement; enhancement of frequency and probability analysis, and Consequence analysis of key component failures of hydrogen systems; and fuel cell oxidant outlet hydrogen sensor project. The Program projects are tightly linked with the content of the International Energy Agency (IEA) Task 19 Hydrogen Safety. (author)

  12. High density hydrogen research

    International Nuclear Information System (INIS)

    Hawke, R.S.

    1977-01-01

    The interest in the properties of very dense hydrogen is prompted by its abundance in Saturn and Jupiter and its importance in laser fusion studies. Furthermore, it has been proposed that the metallic form of hydrogen may be a superconductor at relatively high temperatures and/or exist in a metastable phase at ambient pressure. For ten years or more, laboratories have been developing the techniques to study hydrogen in the megabar region (1 megabar = 100 GPa). Three major approaches to study dense hydrogen experimentally have been used, static presses, shockwave compression, and magnetic compression. Static tchniques have crossed the megabar threshold in stiff materials but have not yet been convincingly successful in very compressible hydrogen. Single and double shockwave techniques have improved the precision of the pressure, volume, temperature Equation of State (EOS) of molecular hydrogen (deuterium) up to near 1 Mbar. Multiple shockwave and magnetic techniques have compressed hydrogen to several megabars and densities in the range of the metallic phase. The net result is that hydrogen becomes conducting at a pressure between 2 and 4 megabars. Hence, the possibility of making a significant amount of hydrogen into a metal in a static press remains a formidable challenge. The success of such experiments will hopefully answer the questions about hydrogen's metallic vs. conducting molecular phase, superconductivity, and metastability. 4 figures, 15 references

  13. The energy carrier hydrogen

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    The potential of hydrogen to be used as a clean fuel for the production of heat and power, as well as for the propulsion of aeroplanes and vehicles, is described, in particular for Germany. First, attention is paid to the application of hydrogen as a basic material for the (petro)chemical industry, as an indirect energy source for (petro)chemical processes, and as a direct energy source for several purposes. Than the importance of hydrogen as an energy carrier in a large-scale application of renewable energy sources is discussed. Next an overview is given of new and old hydrogen production techniques from fossil fuels, biomass, or the electrolysis of water. Energetic applications of hydrogen in the transportation sector and the production of electric power and heat are mentioned. Brief descriptions are given of techniques to store hydrogen safely. Finally attention is paid to hydrogen research in Germany. Two hydrogen projects, in which Germany participates, are briefly dealt with: the Euro-Quebec project (production of hydrogen by means of hydropower), and the HYSOLAR project (hydrogen production by means of solar energy). 18 figs., 1 tab., 7 refs

  14. Dimethyl Ether (DME) Assessment of Viscosity Using the New Volatile Fuel Viscometer (VFVM)

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Sorenson, Spencer C; Jakobsen, J.

    2001-01-01

    This paper describes the development and test of a viscometer capable of handling dimethyl Ether (DME) and other volatile fuels. DME has excellent combustion characteristics in diesel engines but the injection equipment can break down prematurely due to extensive wear when handling this fuel. It ...... is present in very large proportions. It is not believed that reasonably additised DME can reach the same viscosity and lubricity as diesel oil. The solution is rather to design the pumps so they can handle pure DME.......This paper describes the development and test of a viscometer capable of handling dimethyl Ether (DME) and other volatile fuels. DME has excellent combustion characteristics in diesel engines but the injection equipment can break down prematurely due to extensive wear when handling this fuel...

  15. Systems of cerium(3) nitrate-dimethyl amine nitrate-water and cerium(3) nitrate-dimethyl amine nitrate-water

    International Nuclear Information System (INIS)

    Mininkov, N.E.; Zhuravlev, E.F.

    1976-01-01

    Solubility of solid phases in the systems cerium(3)nitrate-water-dimethyl amine nitrate and cerium(3)nitrate-water-dimethyl amine nitrate has been st ed by the method of isothermal sections at 25 and 50 deo. C. It has been shown that one anhydrous compound is formed in each system with a ratio of cerium(3) nitrate to amine nitrate 1:5. The compounds formed in the systems have been separated from the corresponding solutions and studied by microcrystalloscopic, X-ray phase, thermal and infrared spectroscopic methods. On the basis of spectroscopic studies the following formula has been assigned to the compound: [(CH 3 ) 2 NH 2 + ] 5 x[Ce(NO 3 ) 8 ]. The thermal analysis of the compound has shown that its melting point is 106 deg C. The solubility isotherms in the system Ce(NO 3 ) 3 -H 2 O-(C 2 H 5 ) 2 NHxHNO 3 consist of three branches which intersect in two eutonic points

  16. Hydrogen energy applications

    International Nuclear Information System (INIS)

    Okken, P.A.

    1992-10-01

    For the Energy and Material consumption Scenarios (EMS), by which emission reduction of CO 2 and other greenhouse gases can be calculated, calculations are executed by means of the MARKAL model (MARket ALlocation, a process-oriented dynamic linear programming model to minimize the costs of the energy system) for the Netherlands energy economy in the period 2000-2040, using a variable CO 2 emission limit. The results of these calculations are published in a separate report (ECN-C--92-066). The use of hydrogen can play an important part in the above-mentioned period. An overview of several options to produce or use hydrogen is given and added to the MARKAL model. In this report techno-economical data and estimates were compiled for several H 2 -application options, which subsequently also are added to the MARKAL model. After a brief chapter on hydrogen and the impact on the reduction of CO 2 emission attention is paid to stationary and mobile applications. The stationary options concern the mixing of natural gas with 10% hydrogen, a 100% substitution of natural gas by hydrogen, the use of a direct steam generator (combustion of hydrogen by means of pure oxygen, followed by steam injection to produce steam), and the use of fuel cells. The mobile options concern the use of hydrogen in the transportation sector. In brief, attention is paid to a hydrogen passenger car with an Otto engine, and a hydrogen passenger car with a fuel cell, a hybrid (metal)-hydride car, a hydrogen truck, a truck with a methanol fuel cell, a hydrogen bus, an inland canal boat with a hydrogen fuel cell, and finally a hydrogen airplane. 2 figs., 15 tabs., 1 app., 26 refs

  17. Composition and particle size of electrolytic copper powders prepared in water-containing dimethyl sulfoxide electrolytes

    Science.gov (United States)

    Mamyrbekova, Aigul'; Abzhalov, B. S.; Mamyrbekova, Aizhan

    2017-07-01

    The possibility of the electroprecipitation of copper powder via the cathodic reduction of an electrolyte solution containing copper(II) nitrate trihydrate and dimethyl sulfoxide (DMSO) is shown. The effect electrolysis conditions (current density, concentration and temperature of electrolyte) have on the dimensional characteristics of copper powder is studied. The size and shape of the particles of the powders were determined by means of electron microscopy; the qualitative composition of the powders, with X-ray diffraction.

  18. O-methylation of natural phenolic compounds based on green chemistry using dimethyl carbonate

    Science.gov (United States)

    Prakoso, N. I.; Pangestu, P. H.; Wahyuningsih, T. D.

    2016-02-01

    The alkyl aryl ether compounds, of which methyl eugenol and veratraldehyde are the simplest intermediates can be synthesized by reacting eugenol and vanillin with the green reagent dimethyl carbonate (DMC). The reaction was carried out under mild of temperature and pressure. Excellent yields and selective products were obtained (95-96%) after a few hours. In the end of the reaction, the catalysts (base and Phase Transfer Catalyst) can be recovered and regenerated.

  19. Quartz Crystal Microbalance Studies Of Dimethyl Methylphosphonate Sorption Into Trisilanolphenyl-Poss Films

    Science.gov (United States)

    2006-11-06

    QUARTZ CRYSTAL MICROBALANCE STUDIES OF DIMETHYL METHYLPHOSPHONATE SORPTION INTO TRISILANOLPHENYL-POSS FILMS Joshua D. Kittle Thesis ...subsequent DIMP layers form a solid- like phase as a result of nucleated growth around the first layer. Bertilsson et al. studied the adsorption of...of QCMs in liquids,55, 56 opening the door to a variety of applications, including the study of electrodeposition of metals,57,65 electrochemical

  20. Organocatalytic asymmetric michael addition of aldehydes to beta-nitroacroleine dimethyl acetal.

    Science.gov (United States)

    Reyes, Efraim; Vicario, Jose L; Badía, Dolores; Carrillo, Luisa

    2006-12-21

    [Structure: see text] The organocatalytic asymmetric Michael addition of aldehydes to beta-nitroacroleine dimethyl acetal has been studied in detail. The reaction took place with excellent yields and high stereoselectivities when a chiral beta-amino alcohol such as L-prolinol was employed as the catalyst, leaving a formation of highly functionalized enantioenriched compounds containing two differentiated formyl groups together with a nitro moiety.

  1. Nano-Structured Crystalline Te Films by Laser Gas-Phase Pyrolysis of Dimethyl Tellurium

    Czech Academy of Sciences Publication Activity Database

    Pola, Josef; Pokorná, Veronika; Boháček, Jaroslav; Bastl, Zdeněk; Ouchi, A.

    2004-01-01

    Roč. 71, č. 2 (2004), s. 739-746 ISSN 0165-2370 R&D Projects: GA AV ČR IAA4072107; GA MŠk OC 523.60 Institutional research plan: CEZ:AV0Z4072921; CEZ:AV0Z4032918; CEZ:AV0Z4040901 Keywords : dimethyl tellurium * tellurium films * laser Subject RIV: CA - Inorganic Chemistry Impact factor: 1.352, year: 2004

  2. Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sulfide isotopologues: a route toward their astrophysical detection

    Energy Technology Data Exchange (ETDEWEB)

    Puzzarini, C. [Dipartimento di Chimica, " Giacomo Ciamician," Università diBologna, Via F. Selmi 2, I-40126 Bologna (Italy); Senent, M. L. [Departamento de Química y Física Teóricas, Institsuto de Estructura de la Materia, IEM-C.S.I.C., Serrano 121, Madrid E-28006 (Spain); Domínguez-Gómez, R. [Doctora Vinculada IEM-CSIC, Departamento de Ingeniería Civil, Cátedra de Química, E.U.I.T. Obras Públicas, Universidad Politécnica de Madrid (Spain); Carvajal, M. [Departamento de Física Aplicada, Facultad de Ciencias Experimentales, Unidad Asociada IEM-CSIC-U.Huelva, Universidad de Huelva, E-21071 Huelva (Spain); Hochlaf, M. [Université Paris-Est, Laboratoire de Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 boulevard Descartes, F-77454 Marne-la-Vallée (France); Al-Mogren, M. Mogren, E-mail: cristina.puzzarini@unibo.it, E-mail: senent@iem.cfmac.csic.es, E-mail: rosa.dominguez@upm.es, E-mail: miguel.carvajal@dfa.uhu.es, E-mail: majdi.hochlaf@u-pem.fr, E-mail: mmogren@ksu.edu.sa [Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451 (Saudi Arabia)

    2014-11-20

    Using state-of-the-art computational methodologies, we predict a set of reliable rotational and torsional parameters for ethyl mercaptan and dimethyl sulfide monosubstituted isotopologues. This includes rotational, quartic, and sextic centrifugal-distortion constants, torsional levels, and torsional splittings. The accuracy of the present data was assessed from a comparison to the available experimental data. Generally, our computed parameters should help in the characterization and the identification of these organo-sulfur molecules in laboratory settings and in the interstellar medium.

  3. Interomolecular interactions in diluted solutions of potassium iodocuprates (1) in dimethyl ether of diethylene glycol

    International Nuclear Information System (INIS)

    Gorodinskaya, Eh.Ya.; Mel'nikova, N.B.; Yurin, K.V.

    1991-01-01

    The role of donor solvent in the formation of potassium mononuclear iodocuprates (1) in the system CuI-KI-dimethyl ether of diethylene glycol has been considerd. The calculated values of enthalpy, free energy and entropy of viscous flow activation in the range of temperatures 298-318 K for the solutions testify to decomposition of the solvent structure. Negative deviations of mole volumes from the additivity rule characterized strong molecular interaction

  4. Investigation into dimethyl cadmium decomposition proceeding in form of deflagration combustion

    International Nuclear Information System (INIS)

    Mikheev, V.S.; Orlov, A.S.

    1987-01-01

    Results of measuring the maximum explosion pressure of dimethyl cadmium CdMet 2 at 0.1 MPa initial pressure and ∼378 K temperature are presented. The investigation was conducted using the method of constant volume bomb-reactor with central ignition. Experimental value of the pressure increase, equalling to 0.46 MPa, agrees with evaluation, based on reaction adiabatic temperature thrmodynamic calculation. The normal burning rate, determined by the pressure increase, equals to 25±8 cm/s

  5. 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]indane-1,3-dione

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2011-02-01

    Full Text Available The title compound 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]-indane-1,3-dione (3 was synthesized in high yield by reaction of 3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde and indane-1,3-dione in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H NMR, 13C NMR and GC-MS spectral analysis.

  6. Optimal conditions in direct dimethyl ether synthesis from syngas utilizing a dual-type fluidized bed reactor

    International Nuclear Information System (INIS)

    Yousefi, Ahmad; Eslamloueyan, Reza; Kazerooni, Nooshin Moradi

    2017-01-01

    Concerns over environmental pollution and ever-increasing energy demand have urged the global community to tap clean-burning fuels among which dimethyl ether is a promising candidate for contribution in the transportation sector. Direct dimethyl ether synthesis from syngas, in which methanol production and dehydration take place simultaneously, is arguably the preferred route for large scale production. In this study, direct dimethyl ether synthesis is proposed in an industrial dual-type fluidized bed reactor. This configuration involves two fluidized bed reactors operating in different conditions. In the first catalytic reactor (water-cooled reactor), the synthesis gas is partly converted to methanol after being preheated by the reaction heat in the second reactor (gas-cooled reactor). A two-phase generalized comprehensive reactor model, comprised of the flow in three different regimes is applied and a smooth transition between flow regimes is provided based on the probabilistic averaging approach. The optimal operating conditions are sought by employing differential evolution algorithm as a robust optimization strategy. The dimethyl ether mole fraction is considered as the objective function during the optimization. The results show considerable dimethyl ether enhancement by 16% and 14% compared to the conventional direct dimethyl ether synthesis reactor and dual-type fixed bed dimethyl ether reactor arrangements, respectively. - Highlights: • Dual-type catalytic fluidized bed reactors for dimethyl ether synthesis is studied. • A two-phase comprehensive model comprised of flow in three regimes is used. • Probabilistic averaging approach is applied for smooth transitions between regimes. • Differential evolution method is employed to determine optimal operating conditions. • Production capacity is remarkably enhanced compared to conventional reactor.

  7. Synthesis of methyl acetate from dimethyl ether using group VIII metal salts of phosphotungstic acid

    Energy Technology Data Exchange (ETDEWEB)

    Sardesai, A.; Lee, S.; Tartamella, T.

    2002-04-01

    Dimethyl ether (DME) can be produced much more efficiently in a single-stage, liquid-phase process from natural gas-based syngas as compared to the conventional process via dehydration of methanol. This process, based on dual catalysts slurried in inert oil, alleviates the chemical equilibrium limitation governing the methanol synthesis reaction and concurrently improves per-pass syngas conversion and reactor productivity. The potential, therefore, for production of methyl acetate via dimethyl ether carbonylation is of industrial importance. In the present study, conversion of dimethyl ether and carbon monoxide to methyl acetate is investigated over a variety of group VIII metal-substituted phosphotungstic acid salts. Experimental results of this catalytic reaction using rhodium, iridium, ruthenium, and palladium catalysts are evaluated and compared in terms of selectivity toward methyl acetate. The effects of active metal, support types, multiple metal loading, and feed conditions on carbonylation activity of DME are examined. Iridium metal substituted phosphotungstic acid supported on Davisil type 643 (pore size 150 A, surface area 279 m{sup 2}/g, mesh size 230-425) silica gel shows the highest activity for DME carbonylation. (author)

  8. Dimethyl sulfoxide-inducible cytoplasmic factor involved in erythroid differentiation in mouse erythroleukemia (Friend) cells

    International Nuclear Information System (INIS)

    Watanabe, T.; Oishi, M.

    1987-01-01

    A previous report described an intracellular factor (differentiation-inducing factor I, or DIF-I) that seem to play a role in erythroid differentiation in mouse erythroleukemia (MEL) cells. The authors have detected another erythroid-inducing factor in cell-free extracts from dimethyl sulfoxide- or hexamethylenebis(acetamide)-treated MEL cells, which acts synergistically with DIF-I. The partially purified factor (termed DIF-II) triggered erythroid differentiation when introduced into undifferentiated MEL cells that had been potentiated by the induction of DIF-I. The activity in the extracts appeared in an inducible manner after addition of dimethyl sulfoxide or hexamethylenebis(acetamide), reached a maximum at 6 hr, and then rapidly decreased. The induction was inhibited by phorbol 12-myristate 13-acetate and also by cycloheximide. No induction was observed in a mutant MEL cell line defective in erythroid differentiation. These characteristics are consistent with the supposition that DIF-II is one of the putative dimethyl sulfoxide-inducible factors detected in previously reported cell-fusion and cytoplast-fusion experiments. The role of DIF-II in MEL-cell differentiation and in vitro differentiation in general is discussed

  9. Gamma-radiolysis of dimethyl sulfoxide. II. Radiolysis yields and possible mechanisms

    International Nuclear Information System (INIS)

    Gutierrez, M. C.; Barrera, R.

    1978-01-01

    As result of quantitative studies on gamma-radiolysis of DMSO at a dose range of 90-850 Mrads, constant G values have been obtained for the following radiolysis compounds: G(-DMSO) - 6.7 ±0.2; G(dimethyl sulphide) - 3.4 ±0.3; G(methane) - 0,75 ± 0.04; G(dimethyl disulphide) -0.33 ±0,03; G(tri methylsulphonium methanesulphonate) - 0.26 ± 0,01; G(methyl methanethiosulphonate) - 0,25 ±0.02; G(dimethyl sulphona)-0.21±0.02; G(H 2 )-0.18±0.02; and G(propane)--0.0092±0.0007. Initial G values have been obtained for other identified compounds: Gi(ethane)-0,46; Gi(CO)-0.052; and Gi(CO 2 )-0.030. Possible mechanisms on the radiolysis process are proposed. (Author) 17 refs

  10. The synergistic effects of 2,4-D dimethyl amine and propanil herbicides on weed population in rice agroecosystem

    International Nuclear Information System (INIS)

    Nashriyah Mat; Ramli Ishak; Sabri Junoh; Ismail Sahid

    2002-01-01

    Four treatments with the herbicides 2,4-D dimethyl amine and propanil were carried out in two consecutive rice planting seasons, to study the synergistic effect of 2,4-D dimethyl amine and propanil on rice weed populations at Pasir Panjang, the Northwest Selangor Project (PBLS), Projek Barat Laut Selangor) rice granary area. The treatments were control, 1x recommended rate (single dose), 2x recommended rate (double dose) of 2,4-D dimethyl amine and farmer practice. In all plots, propanil herbicide was applied at similar rate. Among the ecological indices measured were Simpson Index of diversity and importance (I.V.). A total number of 19 weed species was identified and the most common important weed was Najas graminae Del. The second most commonly found important weed was Scirpus lateriflorus Gmel. Other important weeds frequently found were Echinochloa crus-galli (L.) Beauv. and Fimbristylis miliacea (L.) Vahl. In the rice agroecosystem, species diversity of weeds was affected but total weed biomass was not affected synergistically by the mixture of 2,4-D dimethyl amine and propanil. The negative synergistic effect of 2,4-D dimethyl amine and propanil was to increase the total biomass of Scirpus lateriflorus, at 2x recommended dose rate of 2,4-D dimethyl amine. (Author)

  11. Hydrogen gains further momentum

    International Nuclear Information System (INIS)

    Anon.

    2017-01-01

    As first industrial production projects should become a reality in the next few years, hydrogen as a source of energy will find important applications with mobility, which momentum is rapid and irresistible. Next steps will be the (large capacity) storage of hydrogen associated to power-to-gas systems and the generalization of renewable energies. This document presents 5 articles, which themes are: Description and explanation of the process of hydrogen production; Presentation of the H2V project for the construction, in Normandy, of the first operational industrial hydrogen production plant using electric power 100 pc generated by renewable energies; The conversion of electric power from renewable energies through hydrogen storage and fuel cells for buildings applications (Sylfen project); The development of a reversible fuel cell at Mines-Paris Tech University, that will be adapted to the storage of renewable electric power; Hydrogen as a lever for the development of zero-emission vehicles, from trucks to cars and bicycles

  12. Hydrogen Fuelling Stations

    DEFF Research Database (Denmark)

    Rothuizen, Erasmus Damgaard

    . A system consisting of one high pressure storage tank is used to investigate the thermodynamics of fuelling a hydrogen vehicle. The results show that the decisive parameter for how the fuelling proceeds is the pressure loss in the vehicle. The single tank fuelling system is compared to a cascade fuelling......This thesis concerns hydrogen fuelling stations from an overall system perspective. The study investigates thermodynamics and energy consumption of hydrogen fuelling stations for fuelling vehicles for personal transportation. For the study a library concerning the components in a hydrogen fuelling...... station has been developed in Dymola. The models include the fuelling protocol (J2601) for hydrogen vehicles made by Society of Automotive Engineers (SAE) and the thermodynamic property library CoolProp is used for retrieving state point. The components in the hydrogen fuelling library are building up...

  13. Fuel Cell and Hydrogen Technology Validation | Hydrogen and Fuel Cells |

    Science.gov (United States)

    NREL Fuel Cell and Hydrogen Technology Validation Fuel Cell and Hydrogen Technology Validation The NREL technology validation team works on validating hydrogen fuel cell electric vehicles; hydrogen fueling infrastructure; hydrogen system components; and fuel cell use in early market applications such as

  14. Hydrogen energy systems studies

    Energy Technology Data Exchange (ETDEWEB)

    Ogden, J.M.; Steinbugler, M.; Dennis, E. [Princeton Univ., NJ (United States)] [and others

    1995-09-01

    For several years, researchers at Princeton University`s Center for Energy and Environmental Studies have carried out technical and economic assessments of hydrogen energy systems. Initially, we focussed on the long term potential of renewable hydrogen. More recently we have explored how a transition to renewable hydrogen might begin. The goal of our current work is to identify promising strategies leading from near term hydrogen markets and technologies toward eventual large scale use of renewable hydrogen as an energy carrier. Our approach has been to assess the entire hydrogen energy system from production through end-use considering technical performance, economics, infrastructure and environmental issues. This work is part of the systems analysis activity of the DOE Hydrogen Program. In this paper we first summarize the results of three tasks which were completed during the past year under NREL Contract No. XR-11265-2: in Task 1, we carried out assessments of near term options for supplying hydrogen transportation fuel from natural gas; in Task 2, we assessed the feasibility of using the existing natural gas system with hydrogen and hydrogen blends; and in Task 3, we carried out a study of PEM fuel cells for residential cogeneration applications, a market which might have less stringent cost requirements than transportation. We then give preliminary results for two other tasks which are ongoing under DOE Contract No. DE-FG04-94AL85803: In Task 1 we are assessing the technical options for low cost small scale production of hydrogen from natural gas, considering (a) steam reforming, (b) partial oxidation and (c) autothermal reforming, and in Task 2 we are assessing potential markets for hydrogen in Southern California.

  15. Hydrogen storage container

    Science.gov (United States)

    Wang, Jy-An John; Feng, Zhili; Zhang, Wei

    2017-02-07

    An apparatus and system is described for storing high-pressure fluids such as hydrogen. An inner tank and pre-stressed concrete pressure vessel share the structural and/or pressure load on the inner tank. The system and apparatus provide a high performance and low cost container while mitigating hydrogen embrittlement of the metal tank. System is useful for distributing hydrogen to a power grid or to a vehicle refueling station.

  16. Hydrogen meter prooftesting

    International Nuclear Information System (INIS)

    McCown, J.J.; Mettler, G.W.

    1976-04-01

    Two diffusion type hydrogen meters have been tested on the Prototype Applications Loop (PAL). The ANL designed unit was used to monitor hydrogen in sodium during FFTF startup and over a wide range of hydrogen concentrations resulting from chemical additions to the sodium and cover gas. A commercially available meter was added and its performance compared with the ANL unit. Details of the test work are described

  17. Photochemical hydrogen production system

    International Nuclear Information System (INIS)

    Copeland, R.J.

    1990-01-01

    Both technical and economic factors affect the cost of producing hydrogen by photochemical processes. Technical factors include the efficiency and the capital and operating costs of the renewable hydrogen conversion system; economic factors include discount rates, economic life, credit for co-product oxygen, and the value of the energy produced. This paper presents technical and economic data for a system that generates on-peak electric power form photochemically produced hydrogen

  18. Hydrogen Fuel Cell Vehicles

    OpenAIRE

    Anton Francesch, Judit

    1992-01-01

    Hydrogen is an especially attractive transportation fuel. It is the least polluting fuel available, and can be produced anywhere there is water and a clean source of electricity. A fuel cycle in which hydrogen is produced by solar-electrolysis of water, or by gasification of renewably grown biomass, and then used in a fuel-cell powered electric-motor vehicle (FCEV), would produce little or no local, regional, or global pollution. Hydrogen FCEVs would combine the best features of bat...

  19. Liquid hydrogen in Japan

    Energy Technology Data Exchange (ETDEWEB)

    Yasumi, S. [Iwatani Corp., Osaka (Japan). Dept. of Overseas Business Development

    2009-07-01

    Japan's Iwatani Corporation has focused its attention on hydrogen as the ultimate energy source in future. Unlike the United States, hydrogen use and delivery in liquid form is extremely limited in the European Union and in Japan. Iwatani Corporation broke through industry stereotypes by creating and building Hydro Edge Co. Ltd., Japan's largest liquid hydrogen plant. It was established in 2006 as a joint venture between Iwatani and Kansai Electric Power Group in Osaka. Hydro Edge is Japan's first combined liquid hydrogen and ASU plant, and is fully operational. Liquid oxygen, liquid nitrogen and liquid argon are separated from air using the cryogenic energy of liquefied natural gas fuel that is used for power generation. Liquid hydrogen is produced efficiently and simultaneously using liquid nitrogen. Approximately 12 times as much hydrogen in liquid form can be transported and supplied as pressurized hydrogen gas. This technology is a significant step forward in the dissemination and expansion of hydrogen in a hydrogen-based economy.

  20. Hydrogen gas detector

    International Nuclear Information System (INIS)

    Bohl, T.L.

    1982-01-01

    A differential thermocouple hydrogen gas detector has one thermocouple junction coated with an activated palladium or palladium-silver alloy catalytic material to allow heated hydrogen gas to react with the catalyst and raise the temperature of that junction. The other juction is covered with inert glass or epoxy resin, and does not experience a rise in temperature in the presence of hydrogen gas. A coil heater may be mounted around the thermocouple junctions to heat the hydrogen, or the gas may be passed through a heated block prior to exposing it to the thermocouples

  1. Sustainable hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Block, D.L.; Linkous, C.; Muradov, N.

    1996-01-01

    This report describes the Sustainable Hydrogen Production research conducted at the Florida Solar Energy Center (FSEC) for the past year. The report presents the work done on the following four tasks: Task 1--production of hydrogen by photovoltaic-powered electrolysis; Task 2--solar photocatalytic hydrogen production from water using a dual-bed photosystem; Task 3--development of solid electrolytes for water electrolysis at intermediate temperatures; and Task 4--production of hydrogen by thermocatalytic cracking of natural gas. For each task, this report presents a summary, introduction/description of project, and results.

  2. Purification of hydrogen sulfide

    International Nuclear Information System (INIS)

    Tsao, U.

    1978-01-01

    A process is described for purifying a hydrogen sulfide gas stream containing carbon dioxide, comprising (a) passing the gas stream through a bed of solid hydrated lime to form calcium hydrosulfide and calcium carbonate and (b) regenerating hydrogen sulfide from said calcium hydrosulfide by reacting the calcium hydrosulfide with additional carbon dioxide. The process is especially applicable for use in a heavy water recovery process wherein deuterium is concentrated from a feed water containing carbon dioxide by absorption and stripping using hydrogen sulfide as a circulating medium, and the hydrogen sulfide absorbs a small quantity of carbon dioxide along with deuterium in each circulation

  3. New hydrogen technologies

    International Nuclear Information System (INIS)

    1992-01-01

    This report presents an overview of the overall hydrogen system. There are separate sections for production, distribution, transport, storage; and applications of hydrogen. The most important methods for hydrogen production are steam reformation of natural gas and electrolysis of water. Of the renewable energy options, production of hydrogen by electrolysis using electricity from wind turbines or by gasification of biomass were found to be the most economic for Finland. Direct use of this electricity or the production of liquid fuels from biomass will be competing alternatives. When hydrogen is produced in the solar belt or where there is cheap hydropower it must be transported over long distances. The overall energy consumed for the transport is from 25 to 40 % of the initial available energy. Hydrogen storage can be divided into stationary and mobile types. The most economic, stationary, large scale hydrogen storage for both long and short periods is underground storage. When suitable sites are not available, then pressure vessels are the best for short period and liquid H 2 for long period. Vehicle storage of hydrogen is by either metal hydrides or liquid H 2 . Hydrogen is a very versatile energy carrier. It can be used to produce heat directly in catalytic burners without flame, to produce electricity in fuel cells with high efficiency for use in vehicles or for peak power shaving, as a fuel component with conventional fuels to reduce emissions, as a way to store energy and as a chemical reagent in reactions

  4. Hydrogen as automotive fuel

    International Nuclear Information System (INIS)

    Ambrosini, G.; Ciancia, A.; Pede, G.; Brighigna, M.

    1993-01-01

    Hydrogen fueled vehicles may just be the answer to the air pollution problem in highly polluted urban environments where the innovative vehicle's air pollution abatement characteristics would justify its high operating costs as compared with those of conventional automotive alternatives. This paper examines the feasibility of hydrogen as an automotive fuel by analyzing the following aspects: the chemical-physical properties of hydrogen in relation to its use in internal combustion engines; the modifications necessary to adapt internal combustion engines to hydrogen use; hydrogen fuel injection systems; current production technologies and commercialization status of hydrogen automotive fuels; energy efficiency ratings; environmental impacts; in-vehicle storage systems - involving the use of hydrides, high pressure systems and liquid hydrogen storage systems; performance in terms of pay-load ratio; autonomous operation; and operating costs. With reference to recent trial results being obtained in the USA, an assessment is also made of the feasibility of the use of methane-hydrogen mixtures as automotive fuels. The paper concludes with a review of progress being made by ENEA (the Italian Agency for New Technology, Energy and the Environment) in the development of fuel storage and electronic fuel injection systems for hydrogen powered vehicles

  5. Hydrogen as automotive fuel

    International Nuclear Information System (INIS)

    Dini, D.; Ciancia, A.; Pede, G.; Sglavo, V.; ENEA, Rome

    1992-01-01

    An assessment of the technical/economic feasibility of the use of hydrogen as an automotive fuel is made based on analyses of the following: the chemical- physical properties of hydrogen in relation to its use in internal combustion engines; the modifications necessary to adapt internal combustion engines to hydrogen use; hydrogen fuel injection systems - with water vapour injection, cryogenic injection, and the low or high pressure injection of hydrogen directly into the combustion chamber; the current commercialization status of hydrogen automotive fuels; energy efficiency ratings; environmental impacts; in-vehicle storage systems - involving the use of hydrides, high pressure systems and liquid hydrogen storage systems; performance in terms of pay-load ratio; autonomous operation; and operating costs. The paper concludes that, considering current costs for hydrogen fuel production, distribution and use, at present, the employment of hydrogen fuelled vehicles is feasible only in highly polluted urban environments where the innovative vehicle's air pollution abatement characteristics would justify its high operating costs as compared with those of conventional automotive alternatives

  6. Palladium Nanoparticle Hydrogen Sensor

    Directory of Open Access Journals (Sweden)

    I. Pavlovsky

    2006-12-01

    Full Text Available An innovative hydrogen sensor based on palladium (Pd nanoparticle networks is described in the article. Made by Applied Nanotech Inc. sensor has a fast response time, in the range of seconds, which is increased at 80 °C due to higher hydrogen diffusion rates into the palladium lattice. The low detection limit of the sensor is 10 ppm of H2, and the high limit is 40,000 ppm. This is 100% of a lowest flammability level of hydrogen. This range of sensitivities complies with the requirements that one would expect for a reliable hydrogen sensor.

  7. Atomic hydrogen reactor

    International Nuclear Information System (INIS)

    Massip de Turville, C.M.D.

    1982-01-01

    Methods are discussed of generating heat in an atomic hydrogen reactor which involve; the production of atomic hydrogen by an electrical discharge, the capture of nascent neutrons from atomic hydrogen in a number of surrounding steel alloy tubes having a high manganese content to produce 56 Mn, the irradiation of atomic hydrogen by the high energy antineutrinos from the beta decay of 56 Mn to yield nascent neutrons, and the removal of the heat generated by the capture of nascent neutrons by 55 Mn and the beta decay of 56 Mn. (U.K.)

  8. Hydrogen/deuterium substitution methods: understanding water structure in solution

    International Nuclear Information System (INIS)

    Soper, A.K.

    1993-01-01

    The hydrogen/deuterium substitution method has been used for different applications, such as the short range order between water molecules in a number of different environments (aqueous solutions of organic molecules), or to study the partial structure factors of water at high pressure and temperature. The absolute accuracy that can be obtained remains uncertain, but important qualitative information can be obtained on the local organization of water in aqueous solution. Some recent results with pure water, methanol and dimethyl sulphoxide (DMSO) solutions are presented. It is shown that the short range water structure is not greatly affected by most solutes except at high concentrations and when the solute species has its own distinctive interaction with water (such as a dissolved small ion). 3 figs., 14 refs

  9. Enhancing hydrogen spillover and storage

    Science.gov (United States)

    Yang, Ralph T [Ann Arbor, MI; Li, Yingwel [Ann Arbor, MI; Lachawiec, Jr., Anthony J.

    2011-05-31

    Methods for enhancing hydrogen spillover and storage are disclosed. One embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the hydrogen receptor to ultrasonification as doping occurs. Another embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the doped hydrogen receptor to a plasma treatment.

  10. Process for exchanging hydrogen isotopes between gaseous hydrogen and water

    International Nuclear Information System (INIS)

    Hindin, S. G.; Roberts, G. W.

    1980-01-01

    A process for exchanging isotopes of hydrogen, particularly tritium, between gaseous hydrogen and water is provided whereby gaseous hydrogen depeleted in tritium and liquid or gaseous water containing tritium are reacted in the presence of a metallic catalyst

  11. Hydrogen assisted diesel combustion

    Energy Technology Data Exchange (ETDEWEB)

    Lilik, Gregory K.; Boehman, Andre L. [The EMS Energy Institute, The Pennsylvania State University, University Park, PA 16802 (United States); Zhang, Hedan; Haworth, Daniel C. [Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, PA 16802 (United States); Herreros, Jose Martin [Escuela Tecnica Superior de Ingenieros Industriales, Universidad de Castilla La-Mancha, Avda. Camilo Jose Cela s/n, 13071 Ciudad Real (Spain)

    2010-05-15

    Hydrogen assisted diesel combustion was investigated on a DDC/VM Motori 2.5L, 4-cylinder, turbocharged, common rail, direct injection light-duty diesel engine, with a focus on exhaust emissions. Hydrogen was substituted for diesel fuel on an energy basis of 0%, 2.5%, 5%, 7.5%, 10% and 15% by aspiration of hydrogen into the engine's intake air. Four speed and load conditions were investigated (1800 rpm at 25% and 75% of maximum output and 3600 rpm at 25% and 75% of maximum output). A significant retarding of injection timing by the engine's electronic control unit (ECU) was observed during the increased aspiration of hydrogen. The retarding of injection timing resulted in significant NO{sub X} emission reductions, however, the same emission reductions were achieved without aspirated hydrogen by manually retarding the injection timing. Subsequently, hydrogen assisted diesel combustion was examined, with the pilot and main injection timings locked, to study the effects caused directly by hydrogen addition. Hydrogen assisted diesel combustion resulted in a modest increase of NO{sub X} emissions and a shift in NO/NO{sub 2} ratio in which NO emissions decreased and NO{sub 2} emissions increased, with NO{sub 2} becoming the dominant NO{sub X} component in some combustion modes. Computational fluid dynamics analysis (CFD) of the hydrogen assisted diesel combustion process captured this trend and reproduced the experimentally observed trends of hydrogen's effect on the composition of NO{sub X} for some operating conditions. A model that explicitly accounts for turbulence-chemistry interactions using a transported probability density function (PDF) method was better able to reproduce the experimental trends, compared to a model that ignores the influence of turbulent fluctuations on mean chemical production rates, although the importance of the fluctuations is not as strong as has been reported in some other recent modeling studies. The CFD results confirm

  12. Preparação de eletrodos de hidroxiapatita por diferentes metodologias de síntese e sua aplicação na determinação de fosfito em fertilizantes líquidos = Different synthesis methods for hydroxyapatite-based electrodes and their application in phosphite determination in fertilizing products

    Directory of Open Access Journals (Sweden)

    Josiane de Lima Souza

    2008-07-01

    Full Text Available A determinação de fosfito em fertilizantes líquidos é muito importante para o controle de qualidade destes produtos. Métodos clássicos de análise incluem principalmente metodologias gravimétricas ou espectrofotométricas que geram resíduos químicos tóxicos. Este trabalho descreve a construção de um eletrodo potenciométrico alternativo baseado em hidroxiapatita na determinação do fosfito. Uma resposta eletroquímica linear foi obtida paraa concentração de fosfito entre os valores de 1 x 10-5 a 1 x 10-1 mol L-1. Os resultados obtidos pelo método proposto estão de acordo com aqueles obtidos pelo método gravimétrico ao nível de confiança de 95% para a determinação direta em fertilizantes líquidos. Phosphite determination in fertilizing products is very important for the quality control of these products. Classical methods of analysis include gravimetric or spectrophotometric methodologies, which create toxic chemical residues. This paper describes an alternative hydroxyapatite-based electrode for phosphite determination. Alinear electrochemical response was obtained from a phosphite concentration of 1 x 10- 5 to 1 x 10-1 mol L-1. The results obtained the by proposed method are in accordance with those obtained by the gravimetric method at a 95% confidence level for directdetermination in liquid fertilizing products.

  13. Hydrogen and fuel cells

    International Nuclear Information System (INIS)

    2006-06-01

    This road-map proposes by the Group Total aims to inform the public on the hydrogen and fuel cells. It presents the hydrogen technology from the production to the distribution and storage, the issues as motor fuel and fuel cells, the challenge for vehicles applications and the Total commitments in the domain. (A.L.B.)

  14. Hydrogen in amorphous silicon

    International Nuclear Information System (INIS)

    Peercy, P.S.

    1980-01-01

    The structural aspects of amorphous silicon and the role of hydrogen in this structure are reviewed with emphasis on ion implantation studies. In amorphous silicon produced by Si ion implantation of crystalline silicon, the material reconstructs into a metastable amorphous structure which has optical and electrical properties qualitatively similar to the corresponding properties in high-purity evaporated amorphous silicon. Hydrogen studies further indicate that these structures will accomodate less than or equal to 5 at.% hydrogen and this hydrogen is bonded predominantly in a monohydride (SiH 1 ) site. Larger hydrogen concentrations than this can be achieved under certain conditions, but the excess hydrogen may be attributed to defects and voids in the material. Similarly, glow discharge or sputter deposited amorphous silicon has more desirable electrical and optical properties when the material is prepared with low hydrogen concentration and monohydride bonding. Results of structural studies and hydrogen incorporation in amorphous silicon were discussed relative to the different models proposed for amorphous silicon

  15. Hydrogen evolution reaction catalyst

    Science.gov (United States)

    Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

    2016-02-09

    Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

  16. Dark hydrogen fermentations

    NARCIS (Netherlands)

    Vrije, de G.J.; Claassen, P.A.M.

    2003-01-01

    The production of hydrogen is a ubiquitous, natural phenomenon under anoxic or anaerobic conditions. A wide variety of bacteria, in swamps, sewage, hot springs, the rumen of cattle etc. is able to convert organic matter to hydrogen, CO2 and metabolites like acetic acid, lactate, ethanol and alanine.

  17. Hydrogen Storage Tank

    CERN Multimedia

    1983-01-01

    This huge stainless steel reservoir,placed near an end of the East Hall, was part of the safety equipment connected to the 2 Metre liquid hydrogen Bubble Chamber. It could store all the hydrogen in case of an emergency. The picture shows the start of its demolition.

  18. Thick film hydrogen sensor

    Science.gov (United States)

    Hoffheins, Barbara S.; Lauf, Robert J.

    1995-01-01

    A thick film hydrogen sensor element includes an essentially inert, electrically-insulating substrate having deposited thereon a thick film metallization forming at least two resistors. The metallization is a sintered composition of Pd and a sinterable binder such as glass frit. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors.

  19. Hydrogen pellet injection device

    International Nuclear Information System (INIS)

    Kanno, Masahiro.

    1992-01-01

    In a hydrogen pellet injection device, a nozzle block having a hydrogen gas supply channel is disposed at the inner side of a main cryogenic housing, and an electric resistor is attached to the block. Further, a nozzle block and a hydrogen gas introduction pipe are attached by way of a thermal insulating spacer. Electric current is supplied to the resistor to positively heat the nozzle block and melt remaining solid hydrogen in the hydrogen gas supply channel. Further, the effect of temperature elevation due to the resistor is prevented from reaching the side of the hydrogen gas introduction pipe by the thermal insulation spacer. That is, the temperature of the nozzle block is directly and positively elevated, to melt the solid hydrogen rapidly. Preparation operation from the injection of the hydrogen pellet to the next injection can be completed in a shorter period of time compared with a conventional case thereby enabling to make the test more efficient. Further, only the temperature of the nozzle block is elevated with no effect of temperature elevation due to the resistor to other components by the thermal insulation flange. (N.H.)

  20. Hydrogen from biomass

    NARCIS (Netherlands)

    Claassen, P.A.M.; Vrije, de G.J.

    2006-01-01

    Hydrogen is generally regarded as the energy carrier of the future. The development of a process for hydrogen production from biomass complies with the policy of the Dutch government to obtain more renewable energy from biomass. This report describes the progress of the BWP II project, phase 2 of

  1. Potentiometric investigation of acid dissociation and anionic homoconjugation equilibria of substituted phenols in dimethyl sulfoxide[Substituted phenols; Acid-base equilibria; Dimethyl sulfoxide (DMSO); Potentiometry

    Energy Technology Data Exchange (ETDEWEB)

    Czaja, Malgorzata; Kozak, Anna; Makowski, Mariusz; Chmurzynski, Lech. E-mail: lech@chemik.chem.univ.gda.pl

    2003-10-01

    Standard acidity constants, K{sub a}{sup DMSO} (HA), expressed as pK{sub a}{sup DMSO} (HA) values, and anionic homoconjugation constants, K{sup DMSO}{sub AHA{sup -}}, (in the form of lg K{sup DMSO}{sub AHA{sup -}} values) have been determined for 11 substituted phenol-phenolate systems a polar protophilic aprotic solvent, dimethyl sulfoxide (DMSO) with a potentiometric titration. A linear relationship has been determined between lg K{sup DMSO}{sub AHA{sup -}} and pK{sub a}{sup DMSO} (HA). The tendency towards anionic homoconjugation in these systems increases with increasing pK{sub a}{sup DMSO} (HA) that is with declining phenol acidity. The pK{sub a}{sup DMSO} (HA) are correlated with both pK{sub a}{sup W} (HA) water and other polar non-aqeous solvents.

  2. Dimethyl sulfoxide (DMSO) waste residues and municipal waste water odor by dimethyl sulfide (DMS): the north-east WPCP plant of Philadelphia.

    Science.gov (United States)

    Glindemann, Dietmar; Novak, John; Witherspoon, Jay

    2006-01-01

    This study shows for the first time that overlooked mg/L concentrations of industrial dimethyl sulfoxide (DMSO) waste residues in sewage can cause "rotten cabbage" odor problems bydimethyl sulfide (DMS) in conventional municipal wastewater treatment. In laboratory studies, incubation of activated sludge with 1-10 mg/L DMSO in bottles produced dimethyl sulfide (DMS) at concentrations that exceeded the odor threshold by approximately 4 orders of magnitude in the headspace gas. Aeration at a rate of 6 m3 air/m3 sludge resulted in emission of the DMS into the exhaust air in a manner analogous to that of an activated sludge aeration tank. A field study atthe NEWPCP sewage treatment plant in Philadelphia found DMSO levels intermittently peaking as high as 2400 mg/L in sewage near an industrial discharger. After 3 h, the DMSO concentration in the influent to the aeration tank rose from a baseline level of less than 0.01 mg/L to a level of 5.6 mg/L and the DMS concentration in the mixed liquor rose from less than 0.01 to 0.2 mg/L. Finding this link between the intermittent occurrence of DMSO residues in influent of the treatment plant and the odorant DMS in the aeration tank was the keyto understanding and eliminating the intermittent "canned corn" or "rotten cabbage" odor emissions from the aeration tank that had randomly plagued this plant and its city neighborhood for two decades. Sewage authorities should consider having wastewater samples analyzed for DMSO and DMS to check for this possible odor problem and to determine whether DMSO emission thresholds should be established to limit odor generation at sewage treatment plants.

  3. Measures for removing hydrogen

    International Nuclear Information System (INIS)

    Baukal, W.; Koehling, A.; Langer, G.; Poeschel, E.

    1984-01-01

    Basis for the investigation is a 1300-MW-PWR. The evolution of hydrogen was studied in design-basis and three hypothetical accident scenarios, the loss-of-coolant accident, the failure of emergency cooling system and core meltdown. It was shown that in the case of release rates of 4m 3 H 2 /h, the known post-accident hydrogen removal systems can be used and at medium rates up to 80 m 3 H 2 /h recombines of nuclear and non-nuclear industries are suitable under certain conditions. In the case of larger release rates it appears useful to apply a small recombiner of the type of the post-accident hydrogen removal system combined with an other hydrogen countermeasures. Recommendations are being made for the installation of an accident-proof hydrogen measuring system. (DG) [de

  4. Liquid hydrogen properties

    International Nuclear Information System (INIS)

    Choi, Jung Woon; Kim, Y. J.; Lee, K. H.; Kim, H. I.; Han, K. Y.; Park, J.H.

    2004-03-01

    The purpose of this report is to provide the input data, whose characteristic is thermodynamic and transport, in the form of equation for the thermo-hydraulic calculations using hydrogen as a working substance. The considered data in this report are particularly focused on the properties of para-hydrogen and of equilibrium-hydrogen around the working temperature range of the HANARO-CNS. The discussed properties of hydrogen are, in turn, the pressure of saturated vapors, the density, the heat of vaporization, thermal conductivity, viscosity, and heat capacity. Several equations to fit the above-mentioned experimental data allow calculating the various properties of liquid hydrogen with high accuracy at all considered temperatures

  5. Electrochemical Hydrogen Compressor

    Energy Technology Data Exchange (ETDEWEB)

    Lipp, Ludwig [FuelCell Energy, Inc., Torrington, CT (United States)

    2016-01-21

    Conventional compressors have not been able to meet DOE targets for hydrogen refueling stations. They suffer from high capital cost, poor reliability and pose a risk of fuel contamination from lubricant oils. This project has significantly advanced the development of solid state hydrogen compressor technology for multiple applications. The project has achieved all of its major objectives. It has demonstrated capability of Electrochemical Hydrogen Compression (EHC) technology to potentially meet the DOE targets for small compressors for refueling sites. It has quantified EHC cell performance and durability, including single stage hydrogen compression from near-atmospheric pressure to 12,800 psi and operation of EHC for more than 22,000 hours. Capital cost of EHC was reduced by 60%, enabling a path to meeting the DOE cost targets for hydrogen compression, storage and delivery ($2.00-2.15/gge by 2020).

  6. Hydrogen production methods

    International Nuclear Information System (INIS)

    Hammerli, M.

    1982-07-01

    Old, present and new proceses for producing hydrogen are assessed critically. The emphasis throughout is placed on those processes which could be commercially viable before the turn of the century for large-scale hydrogen manufacture. Electrolysis of water is the only industrial process not dependent on fossil resources for large-scale hydrogen production and is likely to remain so for the next two or three decades. While many new processes, including those utilizing sunlight directly or indirectly, are presently not considered to be commercially viable for large-scale hydrogen production, research and development effort is needed to enhance our understanding of the nature of these processes. Water vapour electrolysis is compared with thermochemical processes: the former has the potential for displacing all other processes for producing hydrogen and oxygen from water

  7. Hydrogen storage using borohydrides

    International Nuclear Information System (INIS)

    Bernard BONNETOT; Laetitia LAVERSENNE

    2006-01-01

    The possibilities of hydrogen storage using borohydrides are presented and discussed specially in regard of the recoverable hydrogen amount and related to the recovering conditions. A rapid analysis of storage possibilities is proposed taking in account the two main ways for hydrogen evolution: the dehydrogenation obtained through thermal decomposition or the hydrolysis of solids or solutions. The recoverable hydrogen is related to the dehydrogenation conditions and the real hydrogen useful percentage is determined for each case of use. The high temperature required for dehydrogenation even when using catalyzed compounds lead to poor outlooks for this storage way. The hydrolysis conditions direct the chemical yield of the water consuming, and this must be related to the experimental conditions which rule the storage capacity of the 'fuel' derived from the borohydride. (authors)

  8. Efecto del Fosfito de Potasio en Combinación con el Fungicida Metalaxyl + Mancozeb en el Control de Mildeo Velloso (Peronospora destructor Berk en Cebolla de Bulbo (Allium cepa L. Effect of the Potasium Phosphite in Combination with the Fungicide Metalaxyl plus Mancozeb on the Control of Downy Mildew (Peronospora destructor Berk in Onion Bulb (Allium cepa L.

    Directory of Open Access Journals (Sweden)

    Jorge Velandia Monsalve

    2012-06-01

    Full Text Available Resumen. El hongo Peronospora destructor causa considerables pérdidas en la producción de cebolla de bulbo en el mundo. Fosfito de potasio en combinación con el fungicida Metalaxyl + Mancozeb, fue evaluado por su eficiencia en el control de este patógeno en el híbrido de cebolla de bulbo Yellow Granex. Los tratamientos consistieron en una aplicación de fosfito (5 mL L-1 alternada con una de fungicida (2 g L-1; dos y tres aplicaciones consecutivas de fosfito alternadas con una de fungicida; una aplicación de fungicida alternada con una de fosfito; dos y tres aplicaciones consecutivas de fungicida alternadas con una de fosfito; aplicaciones de sólo fosfito y sólo fungicida y un testigo. Se utilizó el diseño experimental de bloques completos al azar con tres repeticiones. Se evaluó la incidencia y severidad de la enfermedad, el número, tamaño y peso de bulbos de primera, segunda, tercera y peso total de bulbos. Los resultados mostraron que las aplicaciones de fosfito de potasio durante dos semanas consecutivas alternadas en la tercera semana con una de fungicida y las aplicaciones semanales de sólo fosfito, tuvieron efectos altamente significativos en el control de la incidencia y severidad de P. destructor y diferencias significativas en el peso de los bulbos de primera (28,1 y 27,9 t ha-1 y peso total de bulbos (55,5 y 52,1 t ha-1, representando en relación al testigo, un incremento de 200 y 196% en el peso de los bulbos de primera y de 55 y 45,7% en el peso total de bulbos, respectivamente. Se concluye que con el fosfito de potasio se reduce la aplicación de fungicidas y ello es una alternativa viable para el manejo ecológico de P. destructor en la producción de cebolla de bulbo.Abstract. Peronospora destructor fungi causes considerable loses in the production of onion bulb in the world. Potassium phosphite in combination with the fungicide Metalaxyl + Mancozeb was evaluated for its efficiency in the control of this pathogen

  9. 40 CFR 721.10055 - 1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-soya acyl derivs., inner salts.

    Science.gov (United States)

    2010-07-01

    ...-(carboxymethyl)-N,N-dimethyl-, N-soya acyl derivs., inner salts. 721.10055 Section 721.10055 Protection of...-amino-N-(carboxymethyl)-N,N-dimethyl-, N-soya acyl derivs., inner salts. (a) Chemical substance and...-(carboxymethyl)-N,N-dimethyl-, N-soya acyl derivs., inner salts (PMN P-03-46; CAS No. 136504-87-5) is subject to...

  10. Hydrogen molecules and hydrogen-related defects in crystalline silicon

    Science.gov (United States)

    Fukata, N.; Sasaki, S.; Murakami, K.; Ishioka, K.; Nakamura, K. G.; Kitajima, M.; Fujimura, S.; Kikuchi, J.; Haneda, H.

    1997-09-01

    We have found that hydrogen exists in molecular form in crystalline silicon treated with hydrogen atoms in the downstream of a hydrogen plasma. The vibrational Raman line of hydrogen molecules is observed at 4158 cm-1 for silicon samples hydrogenated between 180 and 500 °C. The assignment of the Raman line is confirmed by its isotope shift to 2990 cm-1 for silicon treated with deuterium atoms. The Raman intensity has a maximum for hydrogenation at 400 °C. The vibrational Raman line of the hydrogen molecules is broad and asymmetric. It consists of at least two components, possibly arising from hydrogen molecules in different occupation sites in crystalline silicon. The rotational Raman line of hydrogen molecules is observed at 590 cm-1. The Raman band of Si-H stretching is observed for hydrogenation temperatures between 100 and 500 °C and the intensity has a maximum for hydrogenation at 250 °C.

  11. Crystal structure of diaquabis(7-diethylamino-3-formyl-2-oxo-2H-chromen-4-olato-κ2O3,O4zinc(II dimethyl sulfoxide disolvate

    Directory of Open Access Journals (Sweden)

    Aaron B. Davis

    2016-07-01

    Full Text Available The structure of the title coordination complex, [Zn(C14H14NO42(H2O2]·2C2H6OS, shows that the ZnII cation adopts an octahedral geometry and lies on an inversion center. Two organic ligands occupy the equatorial positions of the coordination sphere, forming a chelate ring motif via the O atom on the formyl group and another O atom of the carbonyl group (a pseudo-β-diketone motif. Two water molecules occupy the remaining coordination sites of the ZnII cation in the axial positions. The water molecules are each hydrogen bonded to a single dimethyl sulfoxide molecule that has been entrapped in the crystal lattice.

  12. Synthesis, Physico-chemical Characterization, Crystal Structure and Influence on Microbial and Tumor Cells of Some Co(II Complexes with 5,7-Dimethyl-1,2,4-triazolo[1,5-a]pyrimidine

    Directory of Open Access Journals (Sweden)

    Luminiţa Măruţescu

    2017-07-01

    Full Text Available Three complexes, namely [Co(dmtp2(OH24][CoCl4] (1, [Co(dmtp2Cl2] (2 and [Co(dmtp2(OH24]Cl2∙2H2O (3 (dmtp: 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine, were synthesized and characterized by spectral (IR, UV-Vis-NIR, and magnetic measurements at room temperature, as well as single crystal X-ray diffraction. Complex (1 crystallizes in monoclinic system (space group C2/c, complex (2 adopts an orthorhombic system (space group Pbca, and complex (3 crystallizes in triclinic system (space group P1. Various types of extended hydrogen bonds and π–π interactions provide a supramolecular architecture for all complexes. All species were evaluated for antimicrobial activity towards planktonic and biofilm-embedded microbial cells and influence on HEp-2 cell viability, cellular cycle and gene expression.

  13. Methyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-d][1,3]dioxol-5-yl-4-oxo-4H-chromene-3-carboxylate

    Directory of Open Access Journals (Sweden)

    Devadasan Velmurugan

    2013-08-01

    Full Text Available In the title molecule, C18H16O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The furan ring is almost coplanar with the pyran ring, with a dihedral angle of 1.04 (10° between the planes, and it makes a dihedral angle of 67.97 (11° with the mean plane of the dioxolane ring. The latter makes a dihedral angle of 67.15 (10° with the pyran ring. The O atom attached to the pyran ring deviates by −0.009 (1 Å. The crystal packing features C—H...O hydrogen bonds, forming a three-dimensional structure. The methoxycarbonyl atoms are disordered over two positions, with a refined occupancy ratio of 0.508 (18:0.492 (18.

  14. Partial oxidation of dimethyl ether using the structured catalyst Rh/Al2O3/Al prepared through the anodic oxidation of aluminum.

    Science.gov (United States)

    Yu, B Y; Lee, K H; Kim, K; Byun, D J; Ha, H P; Byun, J Y

    2011-07-01

    The partial oxidation of dimethyl ether (DME) was investigated using the structured catalyst Rh/Al2O3/Al. The porous Al2O3 layer was synthesized on the aluminum plate through anodic oxidation in an oxalic-acid solution. It was observed that about 20 nm nanopores were well developed in the Al2O3 layer. The thickness of Al2O3 layer can be adjusted by controlling the anodizing time and current density. After pore-widening and hot-water treatment, the Al2O3/Al plate was calcined at 500 degrees C for 3 h. The obtained delta-Al2O3 had a specific surface area of 160 m2/g, making it fit to be used as a catalyst support. A microchannel reactor was designed and fabricated to evaluate the catalytic activity of Rh/Al2O3/Al in the partial oxidation of DME. The structured catalyst showed an 86% maximum hydrogen yield at 450 degrees C. On the other hand, the maximum syngas yield by a pack-bed-type catalyst could be attained by using a more than fivefold Rh amount compared to that used in the structured Rh/Al2O3/Al catalyst.

  15. Crystal structure of tetraaqua(5,5′-dimethyl-2,2′-bipyridyl-κ2N,N′iron(II sulfate

    Directory of Open Access Journals (Sweden)

    Yamine Belamri

    2014-12-01

    Full Text Available In the title compound, [Fe(C12H12N2(H2O4]SO4, the central FeII ion is coordinated by two N atoms from the 5,5′-dimethyl-2,2′-bipyridine ligand and four water O atoms in a distorted octahedral geometry. The Fe—O coordination bond lengths vary from 2.080 (3 to 2.110 (3 Å, while the two Fe—N coordination bonds have practically identical lengths [2.175 (3 and 2.177 (3 Å]. The chelating N—Fe—N angle of 75.6 (1° shows the largest deviation from an ideal octahedral geometry; the other coordination angles deviate from ideal values by 0.1 (1 to 9.1 (1°. O—H...O hydrogen bonding between the four aqua ligands of the cationic complex and four O-atom acceptors of the anion leads to the formation of layers parallel to the ab plane. Neighbouring layers further interact by means of C—H...O and π–π interactions involving the laterally positioned bipyridine rings. The perpendicular distance between π–π interacting rings is 3.365 (2 Å, with a centroid–centroid distance of 3.702 (3 Å.

  16. Synthesis and spectroscopic characterization of some lanthanide(III nitrate complexes of ethyl 2-[2-(1-acetyl-2-oxopropylazo]-4,5-dimethyl-3-thiophenecarboxyate

    Directory of Open Access Journals (Sweden)

    CHEMPAKAM JANARDHANAN ATHIRA

    2011-02-01

    Full Text Available Ethyl 2-[2-(1-acetyl-2-oxopropylazo]-4,5-dimethyl-3-thiophenecarboxyate was synthesized by coupling diazotized ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate with acetylacetone. Based on various spectral studies and elemental analysis, an intramolecularly hydrogen-bonded azo-enol structural form was assigned for the ligand. This ligand is versatile in forming a series of lanthanide(III complexes, viz., lanthanum(III, cerium(III, praseodymium(III, neodymium(III, samarium(III and gadolinium(III, which were characterized through various spectral studies, elemental analysis, magnetic susceptibility measurements, molar conductance and thermal analysis. The spectral data revealed that the ligand acted as a neutral tridentate, coordinating to the metal ion through one of the azo nitrogen atoms, the ester carbonyl and the enolic oxygen of the acetylacetone moiety, without deprotonation. Molar conductance values adequately supported their non-electrolytic nature. The ligand and lanthanum(III complex were subjected to X-ray diffraction studies. In addition, the lanthanum(III complex underwent a facile transesterification reaction on refluxing with methanol for a long period. The thermal behaviour of the lanthanum(III complex was also examined

  17. Vibrational study, crystal structure and quantum calculations of 2,2'-azobipyridine and 4,4'-dimethyl-3,3'-dinitro-2,2'-azobipyridine

    International Nuclear Information System (INIS)

    Kucharska, E.; Hanuza, J.; Waskowska, A.; Talik, Z.

    2004-01-01

    Synthesis of 2,2'-azobipyridine and 4,4'-dimethyl-3,3'-dinitro-2,2'-azobipyridine is described. The X-ray structure of the later compound is reported and discussed in terms of its molecular structure with a particular attention to the conformation of the azo-bond and intermolecular C-H?O bonds. The crystal is monoclinic, space group P2 1 /c, with the unit cell parameters a = 12.388(2), b = 14.983(3), c 7.370(1) A, and β = 102.49(3) deg . The asymmetric unit consists of two 3-nitro-4-methyl-pyridine units linked by the -N=N- diazene bond. The pyridine rings are planar. The methyl carbon and the N atom of the nitro groups, substituted to the ring, are lying approximately in the plane. In the crystal structure the molecules are arranged in dimers due to the hydrogen bonding between the methyl group and the oxygen of the nitro group of the molecule related by a centre of symmetry. Fourier transform IR and Raman spectra of this compound have been measured and compared to the spectra of 2,2'-azobipyridine. The 6-31G basis set with the B3LYP and MPW1PW31 functionals have been used to discuss the structure and dynamics of the compounds studied

  18. How do glycerol and dimethyl sulphoxide affect local tetrahedral structure of water around a nonpolar solute at low temperature? Importance of preferential interaction

    Science.gov (United States)

    Daschakraborty, Snehasis

    2018-04-01

    Glycerol and dimethyl sulphoxide (DMSO) have vital roles in cryoprotection of living cells, tissues, etc. The above action has been directly linked with disruption of hydrogen (H-) bond structure and dynamics of water by these cosolvents at bulk region and around various complex units, such as peptide, amino acid, protein, and lipid membrane. However, the disruption of the local structure of the water solvent around a purely hydrophobic solute is still not studied extensively. The latter is also important in the context of stabilization of protein from cold denaturation. Through all-atom molecular dynamics simulation, we have investigated the comparative effect of glycerol and DMSO on the orientational order of water around a nonpolar solute at -5 °C. A steady reduction of the tetrahedral order of water is observed at bulk (>10 Å distance from the solute) and solute interface (structure of the interfacial water more than that of the bulk water, glycerol affects the water structure almost uniformly at all regions around the solute. Furthermore, while glycerol helps to retain water molecules at the interface, DMSO significantly reduces the water content in that region. We have put forward a plausible mechanism for these contrasting roles of these cosolvents. The solute-cosolvent hydrophobic-interaction-induced orientational alignment of an interfacial cosolvent molecule determines whether the involvement of the cosolvent molecules in H-bonding with solvent water in the interface is akin to the bulk region or not.

  19. pH-Dependent isotope exchange and hydrogenation catalysed by water-soluble NiRu complexes as functional models for [NiFe]hydrogenases

    OpenAIRE

    Kure, Bunsho; Matsumoto, Takahiro; Ichikawa, Koji; Fukuzumi, Shunichi; Higuchi, Yoshiki; Yagi, Tatsuhiko; Ogo, Seiji

    2008-01-01

    The pH-dependent hydrogen isotope exchange reaction between gaseous isotopes and medium isotopes and hydrogenation of the carbonyl compounds have been investigated with water-soluble bis(mu-thiolate)(mu-hydride)NiRu complexes, Ni(II)(mu-SR)(2)(mu-H)Ru(II) {(mu-SR)(2) = N,N'-dimethyl-N,N'-bis(2-mercaptoethyl)-1,3-propanediamine}, as functional models for [NiFe]hydrogenases. In acidic media (at pH 4-6), the mu-H ligand of the Ni(II)(mu-SR)(2)(mu-H)Ru(II) complexes has H(+) properties, and the c...

  20. Two new two-dimensional organically templated phosphite compounds: (C6H16N2)0.5[M(HPO3)F], M=Fe(II) and Co(II): Solvothermal synthesis, crystal structures, thermal, spectroscopic, and magnetic properties

    International Nuclear Information System (INIS)

    Fernandez-Armas, Sergio; Mesa, Jose L.; Pizarro, Jose L.; Chung, U-Chan; Arriortua, Maria I.; Rojo, Teofilo

    2005-01-01

    The organically templated (C 6 H 16 N 2 ) 0.5 [M(HPO 3 )F] [M(II)=Fe (1) and Co (2)] compounds have been synthesized by using mild hydrothermal conditions under autogeneous pressure. The crystal structures have been determined from X-ray single-crystal diffraction data. The compounds are isostructural and crystallize in the C2/c monoclinic space group. The unit-cell parameters are a=5.607(1), b=21.276(4), c=11.652(1)A, β=93.74(1) deg. for the iron phase and a=5.5822(7), b=21.325(3), c=11.4910(1)A, β=93.464(9) o for the cobalt compound with Z=4. The crystal structure of these compounds consists of [M(HPO 3 )F] - anionic sheets. The layers are constructed from chains which contain [M 2 O 6 F 3 ] dimeric units linked by fluoride ions. The trans-1,4-diaminocyclohexane cations are placed in the interlayer space. The IR and Raman spectra show the bands corresponding to the phosphite oxoanion and organic dication. The Dq and Racah (B and C) parameters have been calculated from the diffuse reflectance spectra in the visible region. Dq parameter is 790cm -1 for compound (1). For phase (2) the Dq value is 725cm -1 and B and C are 930 and 4100cm -1 , respectively. The thermal evolution of the molar magnetic susceptibilities of these compounds show maxima at 20.0 and 6.0K for the iron(II) and cobalt(II) phases, respectively. These results indicate the existence of antiferromagnetic interactions in both compounds

  1. Ax(H3O)2-xMn5(HPO3)6 (A = Li, Na, K and NH4): open-framework manganese(ii) phosphites templated by mixed cationic species.

    Science.gov (United States)

    Orive, Joseba; Fernández de Luis, Roberto; Fernández, Jesús Rodríguez; Lezama, Luis; Arriortua, María I

    2016-07-26

    Ax(H3O)2-xMn5(HPO3)6 (A = Li, x = 0.55 (1-Li); A = Na, x = 0.72 (2-Na); A = K, x = 0.30 (3-K); A = NH4, x = 0.59 (4-NH4)) phases were synthesized by employing mild hydrothermal conditions. 1-Li was studied by single crystal X-ray diffraction, while sodium, potassium and ammonium containing analogues were obtained as polycrystalline samples and characterized by powder X-ray diffraction. The four compounds were characterized by ICP-Q-MS, thermal analysis and XPS, IR, UV/Vis and EPR spectroscopy. Single crystal data indicate that 1-Li crystallizes in the P3[combining macron]c1 space group with lattice parameters a = 10.3764(1) Å and c = 9.4017(1) Å with Z = 2. The crystal structure of these phases is constituted by a three-dimensional [Mn(ii)5(HPO3)6](2-) anionic skeleton templated by alkali metal and ammonium cations together with protonated water molecules. Such an inorganic framework is formed by layers of edge-sharing MnO6 octahedra placed in the ab plane and joined along the c direction through phosphite pseudotetrahedra. The sheets display 12-membered ring channels parallel to the c-axis, ca. 5 Å in diameter, where the extraframework species display a strong disorder. EPR measurements point to the existence of short range ferromagnetic interactions around 12 K. Magnetic susceptibility and heat capacity measurements show that all the compounds exhibit long range antiferromagnetic order below circa 4 K, with a significant magnetocaloric effect around the Neel temperature.

  2. Improved high-voltage performance of LiNi1/3Co1/3Mn1/3O2 cathode with Tris(2,2,2-trifluoroethyl) phosphite as electrolyte additive

    International Nuclear Information System (INIS)

    Wang, Long; Ma, Yulin; Li, Qin; Cui, Yingzhi; Wang, Panpan; Cheng, Xinqun; Zuo, Pengjian; Du, Chunyu; Gao, Yunzhi

    2017-01-01

    Tris(2,2,2-trifluoroethyl) phosphite (TTFEP) is investigated as an electrolyte additive to improve the electrochemical performance of LiNi 1/3 Co 1/3 Mn 1/3 O 2 cathode at high operating voltage (4.6 V). Charge/discharge measurements demonstrate that TTFEP is effective to improve the cycling stability and rate capability of LiNi 1/3 Co 1/3 Mn 1/3 O 2 cathode. The capacity retention of LiNi 1/3 Co 1/3 Mn 1/3 O 2 /Li cell with 1% TTFEP-containing electrolyte reaches up to 85.4% after 100 cycles at 0.5C (1C = 160 mA g −1 ), while that of the cell with the baseline electrolyte (1 M LiPF 6 in EC/DMC electrolyte) only remains 74.2%. Moreover, the discharge capacity of the cathode with 1% TTFEP-containing electrolyte could maintain around 112.0 mAh g −1 at 4C. Based on the characterization of electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS), a protective interphase film formed on the cathode surface can be found due to the preferential oxidation of TTFEP, which inhibits the electrolyte decomposition and mitigates the cathode structural destruction, leading to the improved electrochemical performance of LiNi 1/3 Co 1/3 Mn 1/3 O 2 cathode at high voltage.

  3. Three-body dissociations: The photodissociation of dimethyl sulfoxide at 193 nm

    Energy Technology Data Exchange (ETDEWEB)

    Blank, D.A.; North, S.W.; Stranges, D. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    When a molecule with two equivalent chemical bonds is excited above the threshold for dissociation of both bonds, how the rupture of the two bonds is temporally coupled becomes a salient question. Following absorption at 193 nm dimethyl sulfoxide (CH{sub 3}SOCH{sub 3}) contains enough energy to rupture both C-S bonds. This can happen in a stepwise (reaction 1) or concerted (reaction 2) fashion where the authors use rotation of the SOCH{sub 3} intermediate prior to dissociation to define a stepwise dissociation: (1) CH{sub 3}SOCH{sub 3} {r_arrow} 2CH{sub 3} + SO; (2a) CH{sub 3}SOCH{sub 3} {r_arrow} CH{sub 3} + SOCH{sub 3}; and (2b) SOCH{sub 3} {r_arrow} SO + CH{sub 3}. Recently, the dissociation of dimethyl sulfoxide following absorption at 193 nm was suggested to involve simultaneous cleavage of both C-S bonds on an excited electronic surface. This conclusion was inferred from laser induced fluorescence (LIF) and resonant multiphoton ionization (2+1 REMPI) measurements of the internal energy content in the CH{sub 3} and SO photoproducts and a near unity quantum yield measured for SO. Since this type of concerted three body dissociation is very interesting and a rather rare event in photodissociation dynamics, the authors chose to investigate this system using the technique of photofragment translational spectroscopy at beamline 9.0.2.1. The soft photoionization provided by the VUV undulator radiation allowed the authors to probe the SOCH{sub 3} intermediate which had not been previously observed and provided good evidence that the dissociation of dimethyl sulfoxide primarily proceeds via a two step dissociation, reaction 2.

  4. Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate

    International Nuclear Information System (INIS)

    Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; Lill, Daniel T. de

    2015-01-01

    Dimethyl-3,4-furandicarboxylate undergoes hydrolysis under hydrothermal conditions with lanthanide (Ln) ions to form two-dimensional coordination polymers, [Ln(C 6 H 2 O 5 )(C 6 H 3 O 5 )(H 2 O)] n (Ln=Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu). The resulting materials exhibit luminescent properties with quantum yields and lifetimes for the Eu(III) and Tb(III) compounds of 1.1±0.3% and 0.387±0.0001 ms, and 3.3±0.8% and 0.769±0.006 ms, respectively. Energy values for the singlet and triplet states were determined for dimethyl-3,4-furandicarboxylate and 3,4-furandicarboxylic acid. Excited state dynamics and structural features are examined to explicate the reported quantum yields. A series of other FDC structures is briefly presented. - Graphical abstract: A new two-dimensional coordination polymer derived from the in-situ hydrolysis of a furan dimethyl ester with lanthanide(III) ions was obtained in order to study its photophysical behavior when constructed from trivalent Eu and Tb. Quantum yields, lifetime measurements, and singlet/triplet state energies values were obtained. The nature of the material's excited state dynamics is examined and correlated to its structure in order to explain the overall luminescent efficiency of the system. - Highlights: • A new lanthanide–furandicarboxylate coordination polymer is presented. • Eu and Tb compounds display luminescent properties, albeit with low quantum yields. • Photophysical behavior explained through the compound's triplet state and structure. • Nonradiative deactivation of luminescence through high-energy oscillators was noted. • Molecular modeling of the organic moiety was conducted

  5. Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate

    Energy Technology Data Exchange (ETDEWEB)

    Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E. [Department of Chemistry & Biochemistry, Florida Atlantic University, 777 Glades Road, Boca Raton, FL 33431 (United States); Chan, Benny C. [Department of Chemistry, The College of New Jersey, 2000 Pennington Road, Ewing, NJ 08628 (United States); Lill, Daniel T. de, E-mail: ddelill@fau.edu [Department of Chemistry & Biochemistry, Florida Atlantic University, 777 Glades Road, Boca Raton, FL 33431 (United States)

    2015-05-15

    Dimethyl-3,4-furandicarboxylate undergoes hydrolysis under hydrothermal conditions with lanthanide (Ln) ions to form two-dimensional coordination polymers, [Ln(C{sub 6}H{sub 2}O{sub 5})(C{sub 6}H{sub 3}O{sub 5})(H{sub 2}O)]{sub n} (Ln=Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu). The resulting materials exhibit luminescent properties with quantum yields and lifetimes for the Eu(III) and Tb(III) compounds of 1.1±0.3% and 0.387±0.0001 ms, and 3.3±0.8% and 0.769±0.006 ms, respectively. Energy values for the singlet and triplet states were determined for dimethyl-3,4-furandicarboxylate and 3,4-furandicarboxylic acid. Excited state dynamics and structural features are examined to explicate the reported quantum yields. A series of other FDC structures is briefly presented. - Graphical abstract: A new two-dimensional coordination polymer derived from the in-situ hydrolysis of a furan dimethyl ester with lanthanide(III) ions was obtained in order to study its photophysical behavior when constructed from trivalent Eu and Tb. Quantum yields, lifetime measurements, and singlet/triplet state energies values were obtained. The nature of the material's excited state dynamics is examined and correlated to its structure in order to explain the overall luminescent efficiency of the system. - Highlights: • A new lanthanide–furandicarboxylate coordination polymer is presented. • Eu and Tb compounds display luminescent properties, albeit with low quantum yields. • Photophysical behavior explained through the compound's triplet state and structure. • Nonradiative deactivation of luminescence through high-energy oscillators was noted. • Molecular modeling of the organic moiety was conducted.

  6. Chamber simulation of photooxidation of dimethyl sulfide and isoprene in the presence of NOx

    Directory of Open Access Journals (Sweden)

    M. Jang

    2012-11-01

    Full Text Available To improve the model prediction for the formation of H2SO4 and methanesulfonic acid (MSA, aerosol-phase reactions of gaseous dimethyl sulfide (DMS oxidation products [e.g., dimethyl sulfoxide (DMSO] in aerosol have been included in the DMS kinetic model with the recently reported gas-phase reactions and their rate constants. To determine the rate constants of aerosol-phase reactions of both DMSO and its major gaseous products [e.g., dimethyl sulfone (DMSO2 and methanesulfinic acid (MSIA], DMSO was photooxidized in the presence of NOx using a 2 m3 Teflon film chamber. The rate constants tested in the DMSO kinetic mechanisms were then incorporated into the DMS photooxidation mechanism. The model simulation using the newly constructed DMS oxidation mechanims was compared to chamber data obtained from the phototoxiation of DMS in the presence of NOx. Within 120-min simulation, the predicted concentrations of MSA increase by 200–400% and those of H2SO4, by 50–200% due to aerosol-phase chemistry. This was well substantiated with experimental data. To study the effect of coexisting volatile organic compounds, the photooxidation of DMS in the presence of isoprene and NOx has been simulated using the newly constructed DMS kinetic model integrated with the Master Chemical Mechanism (MCM for isoprene oxidation, and compared to chamber data. With the high concentrations of DMS (250 ppb and isoprene (560–2248 ppb, both the model simulation and experimental data showed an increase in the yields of MSA and H2SO4 as the isoprene concentration increased.

  7. Three-body dissociations: The photodissociation of dimethyl sulfoxide at 193 nm

    International Nuclear Information System (INIS)

    Blank, D.A.; North, S.W.; Stranges, D.

    1997-01-01

    When a molecule with two equivalent chemical bonds is excited above the threshold for dissociation of both bonds, how the rupture of the two bonds is temporally coupled becomes a salient question. Following absorption at 193 nm dimethyl sulfoxide (CH 3 SOCH 3 ) contains enough energy to rupture both C-S bonds. This can happen in a stepwise (reaction 1) or concerted (reaction 2) fashion where the authors use rotation of the SOCH 3 intermediate prior to dissociation to define a stepwise dissociation: (1) CH 3 SOCH 3 → 2CH 3 + SO; (2a) CH 3 SOCH 3 → CH 3 + SOCH 3 ; and (2b) SOCH 3 → SO + CH 3 . Recently, the dissociation of dimethyl sulfoxide following absorption at 193 nm was suggested to involve simultaneous cleavage of both C-S bonds on an excited electronic surface. This conclusion was inferred from laser induced fluorescence (LIF) and resonant multiphoton ionization (2+1 REMPI) measurements of the internal energy content in the CH 3 and SO photoproducts and a near unity quantum yield measured for SO. Since this type of concerted three body dissociation is very interesting and a rather rare event in photodissociation dynamics, the authors chose to investigate this system using the technique of photofragment translational spectroscopy at beamline 9.0.2.1. The soft photoionization provided by the VUV undulator radiation allowed the authors to probe the SOCH 3 intermediate which had not been previously observed and provided good evidence that the dissociation of dimethyl sulfoxide primarily proceeds via a two step dissociation, reaction 2

  8. The hydrogen highway

    International Nuclear Information System (INIS)

    Grigg, A.

    2004-01-01

    'Full text:' The Hydrogen Highway in British Columbia, Canada, is a coordinated, large-scale demonstration and deployment program aimed at accelerating the commercialization of hydrogen and fuel cell technologies and products. It will be a showcase for fuel cell vehicles, refuelling stations and stationary power systems leading up to the 2010 Olympic and Paralympic Winter Games in Whistler, BC. The Hydrogen Highway is designed to help address many of the challenges to commercialization identified in the Canadian Fuel Cell Commercialization Roadmap. The project will create an early adopter network of hydrogen and fuel cell microenvironments where technology developers and users can learn about the technical, economic, environmental and social impacts of products. The Hydrogen Highway will give the public and potential purchasers an opportunity to feel, touch and see the new technology, as well as provide the industry with a venue in which to develop industry standards and supply chains of materials and components. While demonstration and deployment programs are a recognized and necessary component in the process to commercialize hydrogen and fuel cell technologies, there is no handbook describing how it should be done. This paper will describe the history, objectives, project details and some of the challenges associated with establishing Canada's Hydrogen Highway. (author)

  9. The hydrogen highway

    Energy Technology Data Exchange (ETDEWEB)

    Grigg, A. [Fuel Cells Canada, Vancouver, British Columbia (Canada)

    2004-07-01

    'Full text:' The Hydrogen Highway in British Columbia, Canada, is a coordinated, large-scale demonstration and deployment program aimed at accelerating the commercialization of hydrogen and fuel cell technologies and products. It will be a showcase for fuel cell vehicles, refuelling stations and stationary power systems leading up to the 2010 Olympic and Paralympic Winter Games in Whistler, BC. The Hydrogen Highway is designed to help address many of the challenges to commercialization identified in the Canadian Fuel Cell Commercialization Roadmap. The project will create an early adopter network of hydrogen and fuel cell microenvironments where technology developers and users can learn about the technical, economic, environmental and social impacts of products. The Hydrogen Highway will give the public and potential purchasers an opportunity to feel, touch and see the new technology, as well as provide the industry with a venue in which to develop industry standards and supply chains of materials and components. While demonstration and deployment programs are a recognized and necessary component in the process to commercialize hydrogen and fuel cell technologies, there is no handbook describing how it should be done. This paper will describe the history, objectives, project details and some of the challenges associated with establishing Canada's Hydrogen Highway. (author)

  10. Crystal structure of di-μ-chlorido-bis[chloridobis(1,2-dimethyl-5-nitro-1H-imidazole-κN3copper(II] acetonitrile disolvate

    Directory of Open Access Journals (Sweden)

    Patrick J. Quinlivan

    2016-11-01

    Full Text Available 1,2-Dimethyl-5-nitroimidazole (dimetridazole, dimet is a compound that belongs to a class of nitroimidazole drugs that are effective at inhibiting the activity of certain parasites and bacteria. However, there are few reports that describe structures of compounds that feature metals complexed by dimet. Therefore, we report here that dimet reacts with CuCl2·H2O to yield a chloride-bridged copper(II dimer, [Cu2Cl4(C5H7N3O24] or [Cu(μ-ClCl(dimet2]2. In this molecule, the CuII ions are coordinated in an approximately trigonal–bipyramidal manner, and the molecule lies across an inversion center. The dihedral angle between the imidazole rings in the asymmetric unit is 4.28 (7°. Compared to metronidazole, dimetridazole lacks the hydroxyethyl group, and thus cannot form intermolecular O...H hydrogen-bonding interactions. Instead, [Cu(μ-ClCl(dimet2]2 exhibits weak intermolecular interactions between the hydrogen atoms of C—H groups and (i oxygen in the nitro groups, and (ii the terminal and bridging chloride ligands. The unit cell contains four disordered acetonitrile molecules. These were modeled as providing a diffuse contribution to the overall scattering by SQUEEZE [Spek (2015. Acta Cryst. C71, 9–18], which identified two voids, each with a volume of 163 Å3 and a count of 46 electrons, indicative of a total of four acetonitrile molecules. These acetonitrile molecules are included in the chemical formula to give the expected calculated density and F(000.

  11. A green hydrogen economy

    Energy Technology Data Exchange (ETDEWEB)

    Clark, W.W. II [Clark Communications, Beverly Hills, CA (United States). Green Hydrogen Scientific Advisory Committee; Rifkin, J. [The Foundation on Economic Trends (United States)

    2006-11-15

    This paper is the result of over a dozen scholars and practitioners who strongly felt that a hydrogen economy and hence the future is closer than some American politicians and bureaucrats state. Moreover, when seen internationally, there is strong evidence, the most recent and obvious ones are the proliferation of hybrid vehicles, that for any nation-state to be energy independent it must seek a renewable or green hydrogen future in the near term. The State of California has once again taken the lead in this effort for both an energy-independent future and one linked strongly to the hydrogen economy. Then why a hydrogen economy in the first instance? The fact is that hydrogen most likely will not be used for refueling of vehicles in the near term. The number of vehicles to make hydrogen commercially viable will not be in the mass market by almost all estimates until 2010. However, it is less than a decade away. The time frame is NOT 30-40 years as some argue. The hydrogen economy needs trained people, new ventures and public-private partnerships now. The paper points out how the concerns of today, including higher costs and technologies under development, can be turned into opportunities for both the public and private sectors. It was not too long ago that the size of a mobile phone was that of a briefcase, and then almost 10 years ago, the size of a shoe box. Today, they are not only the size of a man's wallet but also often given away free to consumers who subscribe or contract for wireless services. While hydrogen may not follow this technological commercialization exactly, it certainly will be on a parallel path. International events and local or regional security dictate that the time for a hydrogen must be close at hand. (author)

  12. A green hydrogen economy

    International Nuclear Information System (INIS)

    Clark, Woodrow W.; Rifkin, Jeremy

    2006-01-01

    This paper is the result of over a dozen scholars and practitioners who strongly felt that a hydrogen economy and hence the future is closer than some American politicians and bureaucrats state. Moreover, when seen internationally, there is strong evidence, the most recent and obvious ones are the proliferation of hybrid vehicles, that for any nation-state to be energy independent it must seek a renewable or green hydrogen future in the near term. The State of California has once again taken the lead in this effort for both an energy-independent future and one linked strongly to the hydrogen economy. Then why a hydrogen economy in the first instance? The fact is that hydrogen most likely will not be used for refueling of vehicles in the near term. The number of vehicles to make hydrogen commercially viable will not be in the mass market by almost all estimates until 2010. However, it is less than a decade away. The time frame is NOT 30-40 years as some argue. The hydrogen economy needs trained people, new ventures and public-private partnerships now. The paper points out how the concerns of today, including higher costs and technologies under development, can be turned into opportunities for both the public and private sectors. It was not too long ago that the size of a mobile phone was that of a briefcase, and then almost 10 years ago, the size of a shoe box. Today, they are not only the size of a man's wallet but also often given away free to consumers who subscribe or contract for wireless services. While hydrogen may not follow this technological commercialization exactly, it certainly will be on a parallel path. International events and local or regional security dictate that the time for a hydrogen must be close at hand

  13. The Italian hydrogen programme

    International Nuclear Information System (INIS)

    Raffaele Vellone

    2001-01-01

    Hydrogen could become an important option in the new millennium. It provides the potential for a sustainable energy system as it can be used to meet most energy needs without harming the environment. In fact, hydrogen has the potential for contributing to the reduction of climate-changing emissions and other air pollutants as it exhibits clean combustion with no carbon or sulphur oxide emissions and very low nitrogen oxide emissions. Furthermore, it is capable of direct conversion to electricity in systems such as fuel cells without generating pollution. However, widespread use of hydrogen is not feasible today because of economic and technological barriers. In Italy, there is an ongoing national programme to facilitate the introduction of hydrogen as an energy carrier. This programme aims to promote, in an organic frame, a series of actions regarding the whole hydrogen cycle. It foresees the development of technologies in the areas of production, storage, transport and utilisation. Research addresses the development of technologies for separation and sequestration of CO 2 , The programme is shared by public organisations (research institutions and universities) and national industry (oil companies, electric and gas utilities and research institutions). Hydrogen can be used as a fuel, with significant advantages, both for electric energy generation/ co-generation (thermo-dynamic cycles and fuel cells) and transportation (internal combustion engine and fuel cells). One focus of research will be the development of fuel cell technologies. Fuel cells possess all necessary characteristics to be a key technology in a future economy based on hydrogen. During the initial phase of the project, hydrogen will be derived from fossil sources (natural gas), and in the second phase it will be generated from renewable electricity or nuclear energy. The presentation will provide a review of the hydrogen programme and highlight future goals. (author)

  14. A generalized model for the air-sea transfer of dimethyl sulfide at high wind speeds

    Science.gov (United States)

    Vlahos, Penny; Monahan, Edward C.

    2009-11-01

    The air-sea exchange of dimethyl sulfide (DMS) is an important component of ocean biogeochemistry and global climate models. Both laboratory experiments and field measurements of DMS transfer rates have shown that the air-sea flux of DMS is analogous to that of other significant greenhouse gases such as CO2 at low wind speeds (10 m/s. The result is an attenuation of the dimensionless Henry's Law constant (H) where (Heff = H/(1 + (Cmix/Cw) ΦB) by a solubility enhancement Cmix/Cw, and the fraction of bubble surface area per m2 surface ocean.

  15. Conformational cooling and conformation selective aggregation in dimethyl sulfite isolated in solid rare gases

    OpenAIRE

    Borba, Ana; Gómez-Zavaglia, Andrea; Fausto, Rui

    2006-01-01

    Dimethyl sulfite has three conformers of low energy, GG, GT and GG0, which have significant populations in the gas phase at room temperature. According to theoretical predictions, the GT and GG0 conformers are higher in energy than the GG conformer by 0.83 and 1.18 kJ molK1, respectively, while the barriers associated with the GG0/GT and GT/GG isomerizations are 1.90 and 9.64 kJ molK1, respectively. Experimental data obtained for the compound isolated in solid argon, krypton and xenon demonst...

  16. Role of dimethyl fumarate in oxidative stress of multiple sclerosis: A review.

    Science.gov (United States)

    Suneetha, A; Raja Rajeswari, K

    2016-04-15

    Multiple sclerosis (MS) is a chronic inflammatory disease of the CNS affecting both white and grey matter. Inflammation and oxidative stress are also thought to promote tissue damage in multiple sclerosis. Recent data point at an important role of anti-oxidative pathways for tissue protection in chronic MS, particularly involving the transcription factor nuclear factor (erythroid-derived 2)-related factor 2 (Nrf2). Thus, novel therapeutics enhancing cellular resistance to free radicals could prove useful for MS treatment. Oxidative stress and anti-oxidative pathways are important players in MS pathophysiology and constitute a promising target for future MS therapy with dimethyl fumarate. The clinical utility of DMF in multiple sclerosis is being explored through phase III trials with BG-12, which is an oral therapeutic agent. Currently a wide research is going on to find out the exact mechanism of DMF, till date it is not clear. Based on strong signals of nephrotoxicity in non-humans and the theoretical risk of renal cell cancer from intracellular accumulation of fumarate, post-marketing study of a large population of patients will be necessary to fully assess the long-term safety of dimethyl fumarate. The current treatment goals are to shorten the duration and severity of relapses, prolong the time between relapses, and delay progression of disability. In this regard, dimethyl fumarate offers a promising alternative to orally administered fingolimod (GILENYA) or teriflunomide (AUBAGIO), which are currently marketed in the United States under FDA-mandated Risk Evaluation and Mitigation Strategy (REMS) programs because of serious safety concerns. More clinical experience with all three agents will be necessary to differentiate the tolerability of long-term therapy for patients diagnosed with multiple sclerosis. This write-up provides the detailed information of dimethyl fumarate in treating the neuro disease, multiple sclerosis and its mechanism involved via

  17. Dimethyl ether reviewed: New results on using this gas in a high-precision drift chamber

    International Nuclear Information System (INIS)

    Basile, M.; Bonvicini, G.; Cara Romeo, G.; Cifarelli, L.; Contin, A.; D'Ali, G.; Del Papa, C.; Maccarrone, G.; Massam, T.; Motta, F.; Nania, R.; Palmonari, F.; Rinaldi, G.; Sartorelli, G.; Spinetti, M.; Susinno, G.; Villa, F.; Voltano, L.; Zichichi, A.

    1985-01-01

    Two years ago, dimethyl ether (DME) was presented, for the first time, as a suitable gas for high-precision drift chambers. In fact our tests show that resolutions can be obtained which are better by at least a factor of 2 compared to what one can get with conventional gases. Moreover, DME is very well quenched. The feared formation of whiskers on the wires has not occurred, at least after months of use with a 10 μCi 106 Ru source. (orig.)

  18. Potentiometric investigations of molecular heteroconjugation equilibria of substituted phenol+n-butylamine systems in dimethyl sulfoxide

    International Nuclear Information System (INIS)

    Czaja, MaIgorzata; Baginska, Katarzyna; Kozak, Anna; Makowski, Mariusz; Chmurzynski, Lech

    2005-01-01

    Molecular heteroconjugation constants, K BHA DMSO and K AHB DMSO , expressed as their logarithms, have been determined by potentiometric titration for eleven substituted phenol+n-butylamine systems in a polar protophilic aprotic solvent, dimethyl sulfoxide (DMSO). An increasing tendency towards molecular heteroconjugation in these systems without proton transfer has been found with increasing pK a DMSO (HA), i.e., with decreasing phenol acidity. Moreover, a linear correlation has been established between the determined lgK BHA DMSO values and pK a DMSO (HA). Furthermore, overall stability constants, lgK o DMSO , could be correlated linearly with pK a DMSO (HA) values

  19. Effect of dimethyl sulfoxide (DMSO) on radiation-induced heteroallelic reversion in diploid yeast

    International Nuclear Information System (INIS)

    Singh, D.R.; Mahajan, J.M.; Krishnan, D.

    1976-01-01

    Dimethyl sulfoxide has cryoprotective and radioprotective properties. It is also an efficient scavenger of radicals produced by radiolysis of water. Gamma-induced reversion of diploid yeast in the presence of this chemical during irradiation have been studied. The dose-modifying factor was in the same range as for survival. When the yeast was irradiated in the frozen state, the observed protection by DMSO disappeared. The results are discussed in terms of direct and indirect actions of radiations and the radical-scavenging ability of this chemical

  20. DFT investigation on the adsorption behavior of dimethyl and trimethyl amine molecules on borophene nanotube

    Science.gov (United States)

    Bhuvaneswari, R.; Chandiramouli, R.

    2018-06-01

    The electronic properties of borophene nanotube (BNT) are witnessed and the adsorption properties of dimethyl amine (DMA) and trimethyl amine (TMA) molecules on borophene nanotube are explored through non-equilibrium Green's function (NEGF) and density functional theory (DFT) method. The device density of states spectrum interprets the change in peak maxima, thus indicating the electron transition between DMA, TMA molecules and BNT base material. I-V characteristics strengthen the adsorption property of DMA and TMA on BNT by pointing out the variation in the current. The present work assures that borophene nanotube (BNT) can be employed as DMA and TMA sensor.

  1. Dependence of crystallinity degree with induced grafting by gamma radiation of N,N'-dimethyl acrylamide

    International Nuclear Information System (INIS)

    Queiroz, A.A.A.; Higa, O.Z.; Barrak, E.R.; Giolito, I.

    1991-01-01

    N,N' -dimethyl acrylamide (DMAA) graft copolymerization onto polyethylene films was carried out, using a organic solvent as a reaction medium and gamma rays from a 60 Co source for surface activation. Thermal analysis revealed the crystallinity and the grafting inversely proportional. The DSC curves fusion peaks decreased with grafting rate increase, the peak almost disappearing in the curve of PE 440% grafted. It was concluded that the graft occurs not only on the surface but also in the substrate bulk, being the PE absorption of DMAA an important factor for build up of grafted mass. (author)

  2. Enthalpy of solution of potassium iodide in the water-formamide-dimethyl sulfoxide mixtures

    International Nuclear Information System (INIS)

    Belova, L.N.; Solov'ev, S.N.; Vorob'ev, A.F.

    1985-01-01

    Solution enthalpies are measured for potassium iodide in the water-formamide-dimethyl sulfoxide mixtures in a sealed oscillating calorimeter with an isothermal shell at a constant water molar fraction equal to 0.3; 0.5 and 0.7 at 298.15 K. A diagram of the dependence of solution enthalpies on the of mixed solvent composition is plotted. Deviations of experimental solution enthalpies from the calculated ones are negative over the entire concentration range studied, which testifies to the preferable solvatation of electrolyte by the formid and dimthyl sulfoxide molecules

  3. Transient shielded liquid hydrogen containers

    International Nuclear Information System (INIS)

    Varghese, A.P.; Herring, R.H.

    1990-01-01

    The storage of hydrogen in the liquid phase has been limited in duration due to the thermal performance constraints of conventional Liquid Hydrogen containers available. Conventional Liquid Hydrogen containers lose hydrogen because of their relatively high heat leak and variations in usage pattern of hydrogen due to shutdowns. Local regulations also discourage venting of hydrogen. Long term storage of Liquid Hydrogen without product loss was usually accomplished using Liquid Nitrogen sacrificial shields. This paper reports on a new low heat leak container developed and patented that will extend the storage time of liquid hydrogen by five hundred percent. The principle of operation of the Transient Shields which makes the extraordinary performance of this container feasible is described in this paper. Also covered are the impact of this new container on present applications of hydrogen and the new opportunities afforded to Liquid hydrogen in the world hydrogen market

  4. Bis[N-(2-aminoethylethane-1,2-diamine-κ3N,N′,N′′]copper(II tris[diamminetetrakis(thiocyanato-κNchromate(III] thiocyanate dimethyl sulfoxide tetradecasolvate monohydrate

    Directory of Open Access Journals (Sweden)

    Vitalina M. Nikitina

    2011-08-01

    Full Text Available The ionic title complex, [Cu(C4H13N32]2[Cr(NCS4(NH32]3(NCS·14C2H6OS·H2O, consists of complex [Cu(dien2]2+ cations [dien is N-(2-aminoethylethane-1,2-diamine], complex [Cr(NCS4(NH32]− anions, an NCS− counter-anion and uncoordinated dimethyl sulfoxide (DMSO and water solvent molecules. One of the Cr atoms lies on an inversion center, while the second Cr atom and the Cu atom lie in general positions. The thiocyanate counter-anion and water molecule are disordered over two positions close to an inversion center. There are several types of hydrogen-bond interactions present in the title compound, which connect the complex cations and anions into bulky [Cu2Cr3] polynuclear species. The four NH3 groups of the complex anions and six bridging DMSO O atoms link the three complex anions via hydrogen bonding into the anionic polynuclear species [Cr(NCS4(NH32]3·6DMSO. The last one is connected by four bridging DMSO O atoms with the two complex copper cations through N—H... O hydrogen bonds between the terminal NH3 groups of the anionic polynuclear species and the NH and NH2 groups of the dien ligand. One additional DMSO molecule is connected via hydrogen bonding to one of the terminal NH3 groups of the anionic polynuclear species. Another DMSO molecule is connected via hydrogen bonding to each Cu(dien2]2+ cation.

  5. Color Changing Hydrogen Sensors

    Science.gov (United States)

    Roberson, Luke B.; Williams, Martha; Captain, Janine E.; Mohajeri, Nahid; Raissi, Ali

    2015-01-01

    During the Space Shuttle Program, one of the most hazardous operation that occurred was the loading of liquid hydrogen (LH2) during fueling operations of the spacecraft. Due to hydrogen's low explosive limit, any amount leaked could lead to catastrophic event. Hydrogen's chemical properties make it ideal as a rocket fuel; however, the fuel is deemed unsafe for most commercial use because of the inability to easily detect the gas leaking. The increased use of hydrogen over traditional fossil fuels would reduce greenhouse gases and America's dependency on foreign oil. Therefore a technology that would improve safety at NASA and in the commercial sector while creating a new economic sector would have a huge impact to NASA's mission. The Chemochromic Detector for sensing hydrogen gas leakage is a color-changing detector that is useful in any application where it is important to know not only the presence but also the location of the hydrogen gas leak. This technology utilizes a chemochromicpigment and polymer matrix that can be molded or spun into rigid or pliable shapes useable in variable temperature environments including atmospheres of inert gas, hydrogen gas, or mixtures of gases. A change in color of the detector material indicates where gaseous hydrogen leaks are occurring. The irreversible sensor has a dramatic color change from beige to dark grey and remains dark grey after exposure. A reversible pigment changes from white to blue in the presence of hydrogen and reverts back to white in the presence of oxygen. Both versions of the sensor's pigments were comprised of a mixture of a metal oxide substrate and a hydro-chromic compound (i.e., the compound that changed color in the presence of hydrogen) and immediately notified the operator of the presence of low levels of hydrogen. The detector can be used in a variety of formats including paint, tape, caulking, injection molded parts, textiles and fabrics, composites, and films. This technology brings numerous

  6. Magnesium for Hydrogen Storage

    DEFF Research Database (Denmark)

    Vigeholm, B.; Kjøller, John; Larsen, Bent

    1980-01-01

    The reaction of hydrogen with commercially pure magnesium powder (above 99.7%) was investigated in the temperature range 250–400 °C. Hydrogen is readily sorbed above the dissociation pressure. During the initial exposure the magnesium powder sorbs hydrogen slowly below 400 °C but during the second...... that the particles do not disintegrate is explained by a sintering process at the working temperatures. Exposure to air does not impair the sorption ability; on the contrary, it appears that surface oxidation plays an important role in the reaction. Some handling problems, e.g. the reaction of the hydride with water...

  7. Photobiological hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Seibert, M; Lien, S; Weaver, P F

    1979-01-01

    Hydrogen production by phototrophic organisms, which has been known since the 1930's, occurs at the expense of light energy and electron-donating substrates. Three classes of organisms, namely, photosynthetic bacteria, cyanobacteria, and algae carry out this function. The primary hydrogen-producing enzyme systems, hydrogenase and nitrogenase, will be discussed along with the manner in which they couple to light-driven electron transport. In addition, the feasibility of using in vivo and in vitro photobiological hydrogen producing systems in future solar energy conversion applications will be examined.

  8. Photobiological hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Seibert, M.; Lien, S.; Weaver, P.F.

    1979-01-01

    Hydrogen production by phototrophic organisms, which has been known since the 1930's, occurs at the expense of light energy and electron-donating substrates. Three classes of organisms, namely, photosynthetic bacteria, cyanobacteria, and algae carry out this function. The primary hydrogen-producing enzyme systems, hydrogenase and nitrogenase, will be discussed along with the manner in which they couple to light-driven electron transport. In addition, the feasibility of using in vivo and in vitro photobiological hydrogen producing systems in future solar energy conversion applications will be examined.

  9. Chromatographic hydrogen isotope separation

    International Nuclear Information System (INIS)

    Aldridge, F.T.

    1983-01-01

    Intermetallic compounds with the CaCu5 type of crystal structure, particularly LaNiCo and CaNi5, exhibit high separation factors and fast equilibrium times and therefore are useful for packing a chromatographic hydrogen isotope separation column. The addition of an inert metal to dilute the hydride improves performance of the column. A large scale multi-stage chromatographic separation process run as a secondary process off a hydrogen feedstream from an industrial plant which uses large volumes of hydrogen can produce large quantities of heavy water at an effective cost for use in heavy water reactors

  10. National hydrogen energy roadmap

    Energy Technology Data Exchange (ETDEWEB)

    None, None

    2002-11-01

    This report was unveiled by Energy Secretary Spencer Abraham in November 2002 and provides a blueprint for the coordinated, long-term, public and private efforts required for hydrogen energy development. Based on the results of the government-industry National Hydrogen Energy Roadmap Workshop, held in Washington, DC on April 2-3, 2002, it displays the development of a roadmap for America's clean energy future and outlines the key barriers and needs to achieve the hydrogen vision goals defined in

  11. Chromatographic hydrogen isotope separation

    International Nuclear Information System (INIS)

    Aldridge, F.T.

    1981-01-01

    Intermetallic compounds with the CaCu5 type of crystal structure , particularly LaNiCo and CaNi5, exhibit high separation factors and fast equilibrium times and therefore are useful for packing a chromatographic hydrogen isotope separation colum. The addition of an inert metal to dilute the hydride improves performance of the column. A large scale mutli-stage chromatographic separation process run as a secondary process off a hydrogen feedstream from an industrial plant which uses large volumes of hydrogen can produce large quantities of heavy water at an effective cost for use in heavy water reactors

  12. Uncertainties in hydrogen combustion

    International Nuclear Information System (INIS)

    Stamps, D.W.; Wong, C.C.; Nelson, L.S.

    1988-01-01

    Three important areas of hydrogen combustion with uncertainties are identified: high-temperature combustion, flame acceleration and deflagration-to-detonation transition, and aerosol resuspension during hydrogen combustion. The uncertainties associated with high-temperature combustion may affect at least three different accident scenarios: the in-cavity oxidation of combustible gases produced by core-concrete interactions, the direct containment heating hydrogen problem, and the possibility of local detonations. How these uncertainties may affect the sequence of various accident scenarios is discussed and recommendations are made to reduce these uncertainties. 40 references

  13. Chemochromic Hydrogen Leak Detectors

    Science.gov (United States)

    Roberson, Luke; Captain, Janine; Williams, Martha; Smith, Trent; Tate, LaNetra; Raissi, Ali; Mohajeri, Nahid; Muradov, Nazim; Bokerman, Gary

    2009-01-01

    At NASA, hydrogen safety is a key concern for space shuttle processing. Leaks of any level must be quickly recognized and addressed due to hydrogen s lower explosion limit. Chemo - chromic devices have been developed to detect hydrogen gas in several embodiments. Because hydrogen is odorless and colorless and poses an explosion hazard, there is an emerging need for sensors to quickly and accurately detect low levels of leaking hydrogen in fuel cells and other advanced energy- generating systems in which hydrogen is used as fuel. The device incorporates a chemo - chromic pigment into a base polymer. The article can reversibly or irreversibly change color upon exposure to hydrogen. The irreversible pigment changes color from a light beige to a dark gray. The sensitivity of the pigment can be tailored to its application by altering its exposure to gas through the incorporation of one or more additives or polymer matrix. Furthermore, through the incorporation of insulating additives, the chemochromic sensor can operate at cryogenic temperatures as low as 78 K. A chemochromic detector of this type can be manufactured into any feasible polymer part including injection molded plastic parts, fiber-spun textiles, or extruded tapes. The detectors are simple, inexpensive, portable, and do not require an external power source. The chemochromic detectors were installed and removed easily at the KSC launch pad without need for special expertise. These detectors may require an external monitor such as the human eye, camera, or electronic detector; however, they could be left in place, unmonitored, and examined later for color change to determine whether there had been exposure to hydrogen. In one type of envisioned application, chemochromic detectors would be fabricated as outer layers (e.g., casings or coatings) on high-pressure hydrogen storage tanks and other components of hydrogen-handling systems to provide visible indications of hydrogen leaks caused by fatigue failures or

  14. Biological hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Benemann, J.R. [Univ. of California, Berkeley, CA (United States)

    1995-11-01

    Biological hydrogen production can be accomplished by either thermochemical (gasification) conversion of woody biomass and agricultural residues or by microbiological processes that yield hydrogen gas from organic wastes or water. Biomass gasification is a well established technology; however, the synthesis gas produced, a mixture of CO and H{sub 2}, requires a shift reaction to convert the CO to H{sub 2}. Microbiological processes can carry out this reaction more efficiently than conventional catalysts, and may be more appropriate for the relatively small-scale of biomass gasification processes. Development of a microbial shift reaction may be a near-term practical application of microbial hydrogen production.

  15. The liquid–liquid coexistence curves of {x dimethyl adipate + (1 − x) n-hexane} and {x dimethyl adipate + (1 − x) n-heptane} in the critical region

    International Nuclear Information System (INIS)

    Chen Zhiyun; Cai Li; Huang Meijun; Yin Tianxiang; An Xueqin; Shen Weiguo

    2012-01-01

    Highlights: ► Coexistence curves of (dimethyl adipate + n-hexane) (+n-heptane) were measured. ► The critical exponent β are consistent with the 3D-Ising value. ► The asymmetry of the coexistence curves were discussed by complete scaling theory. - Abstract: The liquid–liquid coexistence curves for (dimethyl adipate + n-hexane), (dimethyl adipate + n-heptane) have been measured, from which the critical amplitudes and the critical exponents are deduced. The critical exponent β corresponding to the coexistence curves are consistent with the 3D-Ising value. The experimental results have also been analyzed to determine the critical amplitudes of Wegner-correction terms when β and Δ are fixed at their theoretical values, and to examine the asymmetry of the diameters for the coexistence curves.

  16. Biomimetic hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Krassen, Henning

    2009-05-15

    Hydrogenases catalyze the reduction of protons to molecular hydrogen with outstanding efficiency. An electrode surface which is covered with active hydrogenase molecules becomes a promising alternative to platinum for electrochemical hydrogen production. To immobilize the hydrogenase on the electrode, the gold surface was modified by heterobifunctional molecules. A thiol headgroup on one side allowed the binding to the gold surface and the formation of a self-assembled monolayer. The other side of the molecules provided a surface with a high affinity for the hydrogenase CrHydA1 from Chlamydomonas reinhardtii. With methylviologen as a soluble energy carrier, electrons were transferred from carboxy-terminated electrodes to CrHydA1 and conducted to the active site (H-cluster), where they reduce protons to molecular hydrogen. A combined approach of surface-enhanced infrared absorption spectroscopy, gas chromatography, and surface plasmon resonance allowed quantifying the hydrogen production on a molecular level. Hydrogen was produced with a rate of 85 mol H{sub 2} min{sup -1} mol{sup -1}. On a 1'- benzyl-4,4'-bipyridinum (BBP)-terminated surface, the electrons were mediated by the monolayer and no soluble electron carrier was necessary to achieve a comparable hydrogen production rate (approximately 50% of the former system). The hydrogen evolution potential was determined to be -335 mV for the BBP-bound hydrogenase and -290 mV for the hydrogenase which was immobilized on a carboxy-terminated mercaptopropionic acid SAM. Therefore, both systems significantly reduce the hydrogen production overpotential and allow electrochemical hydrogen production at an energy level which is close to the commercially applied platinum electrodes (hydrogen evolution potential of -270 mV). In order to couple hydrogen production and photosynthesis, photosystem I (PS1) from Synechocystis PCC 6803 and membrane-bound hydrogenase (MBH) from Ralstonia eutropha were bound to each other

  17. Production of hydrogen from organic waste via hydrogen sulfide

    International Nuclear Information System (INIS)

    McMahon, M.; Davis, B.R.; Roy, A.; Daugulis, A.

    2007-01-01

    In this paper an integrated process is proposed that converts organic waste to hydrogen via hydrogen sulphide. The designed bioreactor has achieved high volumetric productivities comparable to methanogenic bioreactors. Proposed process has advantages of bio-methane production and is more resilient to process upset. Thermochemical conversion of hydrogen sulphide to hydrogen is exothermic and also requires smaller plant infrastructure

  18. Dimethyl Fumarate

    Science.gov (United States)

    ... memory, or awareness that leads to confusion and personality changes extreme tiredness, loss of appetite, pain in ... to your pharmacist or contact your local garbage/recycling department to learn about take-back programs in ...

  19. Hydrogen by water electrolysis

    International Nuclear Information System (INIS)

    Anon.

    1995-01-01

    Hydrogen production by water electrolysis (aqueous solution of potassium hydroxide) is shortly presented with theoretical aspects (thermodynamics and kinetics), and components of the electrolytic cell (structural materials, cathodes, anodes, diaphragms), and examples of industrial processes. (A.B.). 4 figs

  20. Nanomaterials for Hydrogen Storage

    Indian Academy of Sciences (India)

    concepts transferred from the gaseous state. Separation of a ... molecular mass to that calculated by colligative methods. It is important in ... namics is vital in the design and optimization of the materials for hydrogen ... vehicular applications.

  1. Hydrogen storage compositions

    Science.gov (United States)

    Li, Wen; Vajo, John J.; Cumberland, Robert W.; Liu, Ping

    2011-04-19

    Compositions for hydrogen storage and methods of making such compositions employ an alloy that exhibits reversible formation/deformation of BH.sub.4.sup.- anions. The composition includes a ternary alloy including magnesium, boron and a metal and a metal hydride. The ternary alloy and the metal hydride are present in an amount sufficient to render the composition capable of hydrogen storage. The molar ratio of the metal to magnesium and boron in the alloy is such that the alloy exhibits reversible formation/deformation of BH.sub.4.sup.- anions. The hydrogen storage composition is prepared by combining magnesium, boron and a metal to prepare a ternary alloy and combining the ternary alloy with a metal hydride to form the hydrogen storage composition.

  2. Hydrogen Fire Spectroscopy Issues

    Data.gov (United States)

    National Aeronautics and Space Administration — The detection of hydrogen fires is important to the aerospace community. The National Aeronautics and Space Administration (NASA) has devoted significant effort to...

  3. Canadian hydrogen strategies

    International Nuclear Information System (INIS)

    Fairlie, M.; Scepanovic, V.; Dube, J.; Hammerli, M.; Taylor, J.

    2004-01-01

    'Full text:' In May of 2004, industry and government embarked on a process to create a strategic plan for development of the 'hydrogen economy' in Canada. The process was undertaken to determine how the development and commercialization of hydrogen technologies could be accelerated to yield a 'visible' reduction in greenhouse gases within the timeframe of Kyoto, while establishing a direction that addresses the necessity of far greater reductions in the future. Starting with a meeting of twenty seven experts drawn from the hydrogen technology, energy and transportation industries and government, a vision and mission for the planning process was developed. Two months later a second meeting was held with a broader group of stakeholders to develop hydrogen transition strategies that could achieve the mission, and from identifying the barriers and enablers for these strategies, an action plan was created. This paper reviews the results from this consultation process and discusses next steps. (author)

  4. Hydrogen in titanium alloys

    International Nuclear Information System (INIS)

    Wille, G.W.; Davis, J.W.

    1981-04-01

    The titanium alloys that offer properties worthy of consideration for fusion reactors are Ti-6Al-4V, Ti-6Al-2Sn-4Zr-2Mo-Si (Ti-6242S) and Ti-5Al-6Sn-2Zr-1Mo-Si (Ti-5621S). The Ti-6242S and Ti-5621S are being considered because of their high creep resistance at elevated temperatures of 500 0 C. Also, irradiation tests on these alloys have shown irradiation creep properties comparable to 20% cold worked 316 stainless steel. These alloys would be susceptible to slow strain rate embrittlement if sufficient hydrogen concentrations are obtained. Concentrations greater than 250 to 500 wppm hydrogen and temperatures lower than 100 to 150 0 C are approximate threshold conditions for detrimental effects on tensile properties. Indications are that at the elevated temperature - low hydrogen pressure conditions of the reactors, there would be negligible hydrogen embrittlement

  5. Florida Hydrogen Initiative

    Energy Technology Data Exchange (ETDEWEB)

    Block, David L

    2013-06-30

    The Florida Hydrogen Initiative (FHI) was a research, development and demonstration hydrogen and fuel cell program. The FHI program objectives were to develop Florida?s hydrogen and fuel cell infrastructure and to assist DOE in its hydrogen and fuel cell activities The FHI program funded 12 RD&D projects as follows: Hydrogen Refueling Infrastructure and Rental Car Strategies -- L. Lines, Rollins College This project analyzes strategies for Florida's early stage adaptation of hydrogen-powered public transportation. In particular, the report investigates urban and statewide network of refueling stations and the feasibility of establishing a hydrogen rental-car fleet based in Orlando. Methanol Fuel Cell Vehicle Charging Station at Florida Atlantic University ? M. Fuchs, EnerFuel, Inc. The project objectives were to design, and demonstrate a 10 kWnet proton exchange membrane fuel cell stationary power plant operating on methanol, to achieve an electrical energy efficiency of 32% and to demonstrate transient response time of less than 3 milliseconds. Assessment of Public Understanding of the Hydrogen Economy Through Science Center Exhibits, J. Newman, Orlando Science Center The project objective was to design and build an interactive Science Center exhibit called: ?H2Now: the Great Hydrogen Xchange?. On-site Reformation of Diesel Fuel for Hydrogen Fueling Station Applications ? A. Raissi, Florida Solar Energy Center This project developed an on-demand forecourt hydrogen production technology by catalytically converting high-sulfur hydrocarbon fuels to an essentially sulfur-free gas. The removal of sulfur from reformate is critical since most catalysts used for the steam reformation have limited sulfur tolerance. Chemochromic Hydrogen Leak Detectors for Safety Monitoring ? N. Mohajeri and N. Muradov, Florida Solar Energy Center This project developed and demonstrated a cost-effective and highly selective chemochromic (visual) hydrogen leak detector for safety

  6. Hydrogen environment embrittlement

    International Nuclear Information System (INIS)

    Donovan, J.A.

    1975-01-01

    Exposure of many metals to gaseous hydrogen causes losses in elongation, reduction of area, and fracture toughness, and causes increases in slow crack growth rate or fatigue life compared with values obtained in air or vacuum. Hydrogen pressure, temperature, and purity significantly influence deleterious effects. The strength and structural characteristics of the metal influence the degradation of its properties by hydrogen. Several theories have been proposed to explain the loss of properties in hydrogen, but none has gained wide acceptance. The embrittlement mechanism and the role of diffusion are, therefore, open questions and need more quantitative experimental data both to test the proposed theories and to allow the development of realistic preventive measures. (U.S.)

  7. Hydrogen perspectives in Japan

    International Nuclear Information System (INIS)

    Furutani, H.

    2000-01-01

    Hydrogen energy is considered to present a potential effective options for achieving the greenhouse gas minimization. The MITI (Ministry of International Trade and Industry) of Japanese Government is promoting the WE-NET (World Energy Network System) Project which envisions (1) construction of a global energy network for effective supply, transportation, storage and utilization of renewable energy using hydrogen as an energy carrier as a long-term options of sustainable energy economy, and (2) promotion of market entry of hydrogen energy in near and/or mid future even before construction of a WE-NET system. In this paper, I would like to report how far the hydrogen energy technology development addressed under Phase I has progressed, and describe the outline of the Phase II Plan. (author)

  8. Hydrogen permeability through metals

    International Nuclear Information System (INIS)

    Pisarev, A.A.; Tsvetkov, I.V.; Marenkov, E.D.; Yarko, S.S.

    2011-01-01

    The mechanisms of hydrogen permeability through one-layer and multi-layer membranes are considered. The effect of surface roughness, crystal defects, cracks and pores is described. Mathematical description of the processes is given [ru

  9. Photoelectrochemical hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Rocheleau, R.E.; Miller, E.; Misra, A. [Univ. of Hawaii, Honolulu, HI (United States)

    1996-10-01

    The large-scale production of hydrogen utilizing energy provided by a renewable source to split water is one of the most ambitious long-term goals of the U.S. Department of Energy`s Hydrogen Program. One promising option to meet this goal is direct photoelectrolysis in which light absorbed by semiconductor-based photoelectrodes produces electrical power internally to split water into hydrogen and oxygen. Under this program, direct solar-to-chemical conversion efficiencies as high as 7.8 % have been demonstrated using low-cost, amorphous-silicon-based photoelectrodes. Detailed loss analysis models indicate that solar-to-chemical conversion greater than 10% can be achieved with amorphous-silicon-based structures optimized for hydrogen production. In this report, the authors describe the continuing progress in the development of thin-film catalytic/protective coatings, results of outdoor testing, and efforts to develop high efficiency, stable prototype systems.

  10. Hydrogenizing oils, asphalts, etc

    Energy Technology Data Exchange (ETDEWEB)

    1925-03-14

    The hydrogenation of carbonaceous solids in presence of combined sulfur, e.g., sulfides as described in the parent specification is applied to the treatment of rock oils, shale oils, resins, ozokerite, asphalt, and the like, or fractions, residues, or acid sludge or other conversion products thereof, alone or mixed. Preferably the hydrogen or other reducing gas is in excess and under pressure, and is either circuited or led through a series of treatment vessels, hydrogen being added for that used. In an example, residues from American crude oil are passed continuously with hydrogen at 200 atmospheres and 450 to 500/sup 0/C over pressed precipitated cobalt sulfide, the issuing gases being cooled to condense the light oil produced.

  11. Qualitative and quantitative analysis of light hydrocarbons produced by radiation degradation of N, N-dimethyl hydroxylamine

    International Nuclear Information System (INIS)

    Wang Jinhua; Bao Borong; Wu Minghong; Sun Xilian; Zhang Xianye; Hu Jingxin; Ye Guoan

    2004-01-01

    This paper reports the qualitative and quantitative analysis of light hydrocarbons produced by radiation degradation of N, N-dimethyl hydroxylamine. These analyses were performed on the gas chromatograph, in which porous layer open tubular column coated with aluminum oxide and flame-ionization detector are used. For the doses between 10 and 1000 kGy, the light hydrocarbons produced by radiation degradation of N,N-dimethyl hydroxylamine are methane, ethane, ethene, propane, propene and n-butane. When the concentration of N,N-dimethyl hydroxylamine is 0.2 mol/L, the volume fraction of methane is (9.996-247.5) x 10 -6 , the volume fraction of ethane, propane and n-butane is lower and that of ethene and propene is much lower. With the increase of dose the volume fraction of methane is increased but the volume fraction of ethane, ethene, propane, propene and n-butane is not obviously changed. (authors)

  12. The hydrogen issue.

    Science.gov (United States)

    Armaroli, Nicola; Balzani, Vincenzo

    2011-01-17

    Hydrogen is often proposed as the fuel of the future, but the transformation from the present fossil fuel economy to a hydrogen economy will need the solution of numerous complex scientific and technological issues, which will require several decades to be accomplished. Hydrogen is not an alternative fuel, but an energy carrier that has to be produced by using energy, starting from hydrogen-rich compounds. Production from gasoline or natural gas does not offer any advantage over the direct use of such fuels. Production from coal by gasification techniques with capture and sequestration of CO₂ could be an interim solution. Water splitting by artificial photosynthesis, photobiological methods based on algae, and high temperatures obtained by nuclear or concentrated solar power plants are promising approaches, but still far from practical applications. In the next decades, the development of the hydrogen economy will most likely rely on water electrolysis by using enormous amounts of electric power, which in its turn has to be generated. Producing electricity by burning fossil fuels, of course, cannot be a rational solution. Hydroelectric power can give but a very modest contribution. Therefore, it will be necessary to generate large amounts of electric power by nuclear energy of by renewable energies. A hydrogen economy based on nuclear electricity would imply the construction of thousands of fission reactors, thereby magnifying all the problems related to the use of nuclear energy (e.g., safe disposal of radioactive waste, nuclear proliferation, plant decommissioning, uranium shortage). In principle, wind, photovoltaic, and concentrated solar power have the potential to produce enormous amounts of electric power, but, except for wind, such technologies are too underdeveloped and expensive to tackle such a big task in a short period of time. A full development of a hydrogen economy needs also improvement in hydrogen storage, transportation and distribution

  13. Use of nuclear magnetic resonance of hydrogen in the characterization of saturated hydrocarbonic chains

    International Nuclear Information System (INIS)

    Costa Neto, A.; Soares, V.L.P.; Costa Neto, C.

    1979-01-01

    Alkanes and cycloalkanes are characterized by a methyl-methylene-methine groups proportion, the percentual absorption in prefixed regions and the pattern of the spectrum of nuclear magnetic resonance of hydrogen. The GPI is calculated from the contribution of the areas corresponding to prefixed regions of the hydrogen magnetic resonance spectra (60 Mc). These regions are (for the saturated hydrocarbons): 0,5-1,05ppm (X), 1,05ppm (Y) and 1,50-2,00ppm (Z). The validity of the index was verified for the homologous series of linear hydrocarbons and methyl-, dimethyl-, ethyl-, cyclopentyl- and cyclohexyl-branched hydrocarbons. Its application to shale oil chemistry (xistoquimica) is discussed. (author) [pt

  14. Biasing hydrogen bond donating host systems towards chemical warfare agent recognition.

    Science.gov (United States)

    Hiscock, Jennifer R; Wells, Neil J; Ede, Jayne A; Gale, Philip A; Sambrook, Mark R

    2016-10-12

    A series of neutral ditopic and negatively charged, monotopic host molecules have been evaluated for their ability to bind chloride and dihydrogen phosphate anions, and neutral organophosphorus species dimethyl methylphosphonate (DMMP), pinacolyl methylphosphonate (PMP) and the chemical warfare agent (CWA) pinacolyl methylphosphonofluoridate (GD, soman) in organic solvent via hydrogen bonding. Urea, thiourea and boronic acid groups are shown to bind anions and neutral guests through the formation of hydrogen bonds, with the urea and thiourea groups typically exhibiting higher affinity interactions. The introduction of a negative charge on the host structure is shown to decrease anion affinity, whilst still allowing for high stability host-GD complex formation. Importantly, the affinity of the host for the neutral CWA GD is greater than for anionic guests, thus demonstrating the potential for selectivity reversal based on charge repulsion.

  15. Nuclear power and hydrogen

    International Nuclear Information System (INIS)

    Welch, Robert.

    1982-06-01

    Ontario has been using CANDU reactors to produce electricity since 1962. The province does not have an electricity shortage, but it does have a shortage of liquid fuels. The government of Ontario is encouraging research into the production of hydrogen using electricity generated by a dedicated nuclear plant, and the safe and economical use of hydrogen both in the production of synthetic petroleum fuels and as a fuel in its own right

  16. Purdue Hydrogen Systems Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Jay P Gore; Robert Kramer; Timothee L Pourpoint; P. V. Ramachandran; Arvind Varma; Yuan Zheng

    2011-12-28

    The Hydrogen Systems Laboratory in a unique partnership between Purdue University's main campus in West Lafayette and the Calumet campus was established and its capabilities were enhanced towards technology demonstrators. The laboratory engaged in basic research in hydrogen production and storage and initiated engineering systems research with performance goals established as per the USDOE Hydrogen, Fuel Cells, and Infrastructure Technologies Program. In the chemical storage and recycling part of the project, we worked towards maximum recycling yield via novel chemical selection and novel recycling pathways. With the basic potential of a large hydrogen yield from AB, we used it as an example chemical but have also discovered its limitations. Further, we discovered alternate storage chemicals that appear to have advantages over AB. We improved the slurry hydrolysis approach by using advanced slurry/solution mixing techniques. We demonstrated vehicle scale aqueous and non-aqueous slurry reactors to address various engineering issues in on-board chemical hydrogen storage systems. We measured the thermal properties of raw and spent AB. Further, we conducted experiments to determine reaction mechanisms and kinetics of hydrothermolysis in hydride-rich solutions and slurries. We also developed a continuous flow reactor and a laboratory scale fuel cell power generation system. The biological hydrogen production work summarized as Task 4.0 below, included investigating optimal hydrogen production cultures for different substrates, reducing the water content in the substrate, and integrating results from vacuum tube solar collector based pre and post processing tests into an enhanced energy system model. An automated testing device was used to finalize optimal hydrogen production conditions using statistical procedures. A 3 L commercial fermentor (New Brunswick, BioFlo 115) was used to finalize testing of larger samples and to consider issues related to scale up

  17. A Rechargeable Hydrogen Battery.

    Science.gov (United States)

    Christudas Dargily, Neethu; Thimmappa, Ravikumar; Manzoor Bhat, Zahid; Devendrachari, Mruthunjayachari Chattanahalli; Kottaichamy, Alagar Raja; Gautam, Manu; Shafi, Shahid Pottachola; Thotiyl, Musthafa Ottakam

    2018-04-27

    We utilize proton-coupled electron transfer in hydrogen storage molecules to unlock a rechargeable battery chemistry based on the cleanest chemical energy carrier molecule, hydrogen. Electrochemical, spectroscopic, and spectroelectrochemical analyses evidence the participation of protons during charge-discharge chemistry and extended cycling. In an era of anthropogenic global climate change and paramount pollution, a battery concept based on a virtually nonpolluting energy carrier molecule demonstrates distinct progress in the sustainable energy landscape.

  18. Hydrogen recovery process

    Science.gov (United States)

    Baker, Richard W.; Lokhandwala, Kaaeid A.; He, Zhenjie; Pinnau, Ingo

    2000-01-01

    A treatment process for a hydrogen-containing off-gas stream from a refinery, petrochemical plant or the like. The process includes three separation steps: condensation, membrane separation and hydrocarbon fraction separation. The membrane separation step is characterized in that it is carried out under conditions at which the membrane exhibits a selectivity in favor of methane over hydrogen of at least about 2.5.

  19. Purdue Hydrogen Systems Laboratory

    International Nuclear Information System (INIS)

    Gore, Jay P.; Kramer, Robert; Pourpoint, Timothee L.; Ramachandran, P.V.; Varma, Arvind; Zheng, Yuan

    2011-01-01

    The Hydrogen Systems Laboratory in a unique partnership between Purdue University's main campus in West Lafayette and the Calumet campus was established and its capabilities were enhanced towards technology demonstrators. The laboratory engaged in basic research in hydrogen production and storage and initiated engineering systems research with performance goals established as per the USDOE Hydrogen, Fuel Cells, and Infrastructure Technologies Program. In the chemical storage and recycling part of the project, we worked towards maximum recycling yield via novel chemical selection and novel recycling pathways. With the basic potential of a large hydrogen yield from AB, we used it as an example chemical but have also discovered its limitations. Further, we discovered alternate storage chemicals that appear to have advantages over AB. We improved the slurry hydrolysis approach by using advanced slurry/solution mixing techniques. We demonstrated vehicle scale aqueous and non-aqueous slurry reactors to address various engineering issues in on-board chemical hydrogen storage systems. We measured the thermal properties of raw and spent AB. Further, we conducted experiments to determine reaction mechanisms and kinetics of hydrothermolysis in hydride-rich solutions and slurries. We also developed a continuous flow reactor and a laboratory scale fuel cell power generation system. The biological hydrogen production work summarized as Task 4.0 below, included investigating optimal hydrogen production cultures for different substrates, reducing the water content in the substrate, and integrating results from vacuum tube solar collector based pre and post processing tests into an enhanced energy system model. An automated testing device was used to finalize optimal hydrogen production conditions using statistical procedures. A 3 L commercial fermentor (New Brunswick, BioFlo 115) was used to finalize testing of larger samples and to consider issues related to scale up. Efforts

  20. Nanostructured materials for hydrogen storage

    Science.gov (United States)

    Williamson, Andrew J.; Reboredo, Fernando A.

    2007-12-04

    A system for hydrogen storage comprising a porous nano-structured material with hydrogen absorbed on the surfaces of the porous nano-structured material. The system of hydrogen storage comprises absorbing hydrogen on the surfaces of a porous nano-structured semiconductor material.

  1. Hydrogen Delivery Technical Team Roadmap

    Energy Technology Data Exchange (ETDEWEB)

    None

    2013-06-01

    The mission of the Hydrogen Delivery Technical Team (HDTT) is to enable the development of hydrogen delivery technologies, which will allow for fuel cell competitiveness with gasoline and hybrid technologies by achieving an as-produced, delivered, and dispensed hydrogen cost of $2-$4 per gallon of gasoline equivalent of hydrogen.

  2. Diffusion of hydrogen in yttrium

    International Nuclear Information System (INIS)

    Vorobyov, V.V.; Ryabchikov, L.N.

    1966-01-01

    In this work the diffusion coefficients of hydrogen in yttrium were determined from the rate at which the hydrogen was released from yttrium samples under a vacuum at temperatures of 450 to 850 0 C and from the quantity of hydrogen retained by yttrium at hydrogen pressures below 5 x 10 - 4 mm Hg in the same temperature range

  3. Examining hydrogen transitions.

    Energy Technology Data Exchange (ETDEWEB)

    Plotkin, S. E.; Energy Systems

    2007-03-01

    This report describes the results of an effort to identify key analytic issues associated with modeling a transition to hydrogen as a fuel for light duty vehicles, and using insights gained from this effort to suggest ways to improve ongoing modeling efforts. The study reported on here examined multiple hydrogen scenarios reported in the literature, identified modeling issues associated with those scenario analyses, and examined three DOE-sponsored hydrogen transition models in the context of those modeling issues. The three hydrogen transition models are HyTrans (contractor: Oak Ridge National Laboratory), MARKAL/DOE* (Brookhaven National Laboratory), and NEMS-H2 (OnLocation, Inc). The goals of these models are (1) to help DOE improve its R&D effort by identifying key technology and other roadblocks to a transition and testing its technical program goals to determine whether they are likely to lead to the market success of hydrogen technologies, (2) to evaluate alternative policies to promote a transition, and (3) to estimate the costs and benefits of alternative pathways to hydrogen development.

  4. Hydrogen and nuclear power

    International Nuclear Information System (INIS)

    Holt, D.J.

    1976-12-01

    This study examines the influence that the market demand for hydrogen might have on the development of world nuclear capacity over the next few decades. In a nuclear economy, hydrogen appears to be the preferred energy carrier over electricity for most purposes, due to its ready substitution and usage for all energy needs, as well as its low transmission costs. The economic factors upon which any transition to hydrogen fuelling will be largely based are seen to be strongly dependent on the form of future energy demand, the energy resource base, and on the status of technology. Accordingly, the world energy economy is examined to identify the factors which might affect the future demand price structure for energy, and a survey of current estimates of world energy resources, particularly oil, gas, nuclear, and solar, is presented. Current and projected technologies for production and utilization of hydrogen are reviewed, together with rudimentary cost estimates. The relative economics are seen to favour production of hydrogen from fossil fuels far into the foreseeable future, and a clear case emerges for high temperature nuclear reactors in such process heat applications. An expanding industrial market for hydrogen, and near term uses in steelmaking and aircraft fuelling are foreseen, which would justify an important development effort towards nuclear penetration of that market. (author)

  5. Electrochemical hydrogen Storage Systems

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Digby Macdonald

    2010-08-09

    As the global need for energy increases, scientists and engineers have found a possible solution by using hydrogen to power our world. Although hydrogen can be combusted as a fuel, it is considered an energy carrier for use in fuel cells wherein it is consumed (oxidized) without the production of greenhouse gases and produces electrical energy with high efficiency. Chemical storage of hydrogen involves release of hydrogen in a controlled manner from materials in which the hydrogen is covalently bound. Sodium borohydride and aminoborane are two materials given consideration as chemical hydrogen storage materials by the US Department of Energy. A very significant barrier to adoption of these materials as hydrogen carriers is their regeneration from 'spent fuel,' i.e., the material remaining after discharge of hydrogen. The U.S. Department of Energy (DOE) formed a Center of Excellence for Chemical Hydrogen Storage, and this work stems from that project. The DOE has identified boron hydrides as being the main compounds of interest as hydrogen storage materials. The various boron hydrides are then oxidized to release their hydrogen, thereby forming a 'spent fuel' in the form of a lower boron hydride or even a boron oxide. The ultimate goal of this project is to take the oxidized boron hydrides as the spent fuel and hydrogenate them back to their original form so they can be used again as a fuel. Thus this research is essentially a boron hydride recycling project. In this report, research directed at regeneration of sodium borohydride and aminoborane is described. For sodium borohydride, electrochemical reduction of boric acid and sodium metaborate (representing spent fuel) in alkaline, aqueous solution has been investigated. Similarly to literature reports (primarily patents), a variety of cathode materials were tried in these experiments. Additionally, approaches directed at overcoming electrostatic repulsion of borate anion from the cathode, not

  6. Metallic hydrogen research

    International Nuclear Information System (INIS)

    Burgess, T.J.; Hawke, R.S.

    1978-01-01

    Theoretical studies predict that molecular hydrogen can be converted to the metallic phase at very high density and pressure. These conditions were achieved by subjecting liquid hydrogen to isentropic compression in a magnetic-flux compression device. Hydrogen became electrically conducting at a density of about 1.06 g/cm 3 and a calculated pressure of about 2 Mbar. In the experimental device, a cylindrical liner, on implosion by high explosive, compresses a magnetic flux which in turn isentropically compresses a hydrogen sample; coaxial conical anvils prevent escape of the sample during compression. One anvil contains a coaxial cable that uses alumina ceramic as an insulator; this probe allows continuous measurement of the electrical conductivity of the hydrogen. A flash x-ray radiograph exposed during the experiment records the location of the sample-tube boundaries and permits calculation of the sample density. The theoretical underpinnings of the metallic transition of hydrogen are briefly summarized, and the experimental apparatus and technique, analytical methods, and results are described. 9 figures

  7. Hydrogen isotope technology

    International Nuclear Information System (INIS)

    Anon.

    1980-01-01

    Hydrogen pumping speeds on panels of molecular sieve types 5A and Na-Y were compared for a variety of sieve (and chevron) temperatures between 10 and 30 K. Although pumping speeds declined with time, probably because of the slow diffusion of hydrogen from the surface of the sieve crystals into the internal regions, the different sieve materials and operating conditions could be compared using time-averaged pump speeds. The (average) pumping speeds declined with increasing temperature. Under some conditions, the Na-Y sieve performed much better than the 5A sieve. Studies of the effect of small concentrations (approx. 4%) of hydrogen on helium pumping indicate that compound cryopumps in fusion reactors will not have to provide complete screening of hydrogen from helium panels. The concentrations of hydrogen did not lower effective helium pumping speeds or shorten the helium operating period between instabilities. Studies of tritium recovery from blankets of liquid lithium focused on design and construction of a flowing-lithium test system and on ultimate removal of tritium from yttrium sorbents. At 505 0 C, tritium release from yttrium behaves as a diffusion-controlled process, but the release rates are very low. Apparently, higher temperatures will be required for effective sorbent regeneration. An innovative technique for separating hydrogen isotopes by using bipolar electrolysis with permeable electrodes was analyzed to determine its potential usefulness in multistage separation

  8. Electrochemical hydrogen Storage Systems

    International Nuclear Information System (INIS)

    Macdonald, Digby

    2010-01-01

    As the global need for energy increases, scientists and engineers have found a possible solution by using hydrogen to power our world. Although hydrogen can be combusted as a fuel, it is considered an energy carrier for use in fuel cells wherein it is consumed (oxidized) without the production of greenhouse gases and produces electrical energy with high efficiency. Chemical storage of hydrogen involves release of hydrogen in a controlled manner from materials in which the hydrogen is covalently bound. Sodium borohydride and aminoborane are two materials given consideration as chemical hydrogen storage materials by the US Department of Energy. A very significant barrier to adoption of these materials as hydrogen carriers is their regeneration from 'spent fuel,' i.e., the material remaining after discharge of hydrogen. The U.S. Department of Energy (DOE) formed a Center of Excellence for Chemical Hydrogen Storage, and this work stems from that project. The DOE has identified boron hydrides as being the main compounds of interest as hydrogen storage materials. The various boron hydrides are then oxidized to release their hydrogen, thereby forming a 'spent fuel' in the form of a lower boron hydride or even a boron oxide. The ultimate goal of this project is to take the oxidized boron hydrides as the spent fuel and hydrogenate them back to their original form so they can be used again as a fuel. Thus this research is essentially a boron hydride recycling project. In this report, research directed at regeneration of sodium borohydride and aminoborane is described. For sodium borohydride, electrochemical reduction of boric acid and sodium metaborate (representing spent fuel) in alkaline, aqueous solution has been investigated. Similarly to literature reports (primarily patents), a variety of cathode materials were tried in these experiments. Additionally, approaches directed at overcoming electrostatic repulsion of borate anion from the cathode, not described in the

  9. Catalyst activity maintenance study for the liquid phase dimethyl ether process

    Energy Technology Data Exchange (ETDEWEB)

    Peng, X.D.; Toseland, B.A.; Underwood, R.P. [Air Products and Chemicals, Inc., Allentown, PA (United States)

    1995-12-31

    The co-production of dimethyl ether (DME) and methanol from syngas is a process of considerable commercial attractiveness. DME coproduction can double the productivity of a LPMEOH process when using coal-derived syngas. This in itself may offer chemical producers and power companies increased flexibility and more profitable operation. DME is also known as a clean burning liquid fuel; Amoco and Haldor-Topsoe have recently announced the use of DME as an alternative diesel fuel. Moreover, DME can be an interesting intermediate in the production of chemicals such as olefins and vinyl acetate. The current APCl liquid phase dimethyl ether (LPDME) process utilizes a physical mixture of a commercial methanol synthesis catalyst and a dehydration catalyst (e.g., {gamma}-alumina). While this arrangement provides a synergy that results in much higher syngas conversion per pass compared to the methanol-only process, the stability of the catalyst system suffers. The present project is aimed at reducing catalyst deactivation both by understanding the cause(s) of catalyst deactivation and by developing modified catalyst systems. This paper describes the current understanding of the deactivation mechanism.

  10. "Sizing" Heterogeneous Chemistry in the Conversion of Gaseous Dimethyl Sulfide to Atmospheric Particles.

    Science.gov (United States)

    Enami, Shinichi; Sakamoto, Yosuke; Hara, Keiichiro; Osada, Kazuo; Hoffmann, Michael R; Colussi, Agustín J

    2016-02-16

    The oxidation of biogenic dimethyl sulfide (DMS) emissions is a global source of cloud condensation nuclei. The amounts of the nucleating H2SO4(g) species produced in such process, however, remain uncertain. Hydrophobic DMS is mostly oxidized in the gas phase into H2SO4(g) + DMSO(g) (dimethyl sulfoxide), whereas water-soluble DMSO is oxidized into H2SO4(g) in the gas phase and into SO4(2-) + MeSO3(-) (methanesulfonate) on water surfaces. R = MeSO3(-)/(non-sea-salt SO4(2-)) ratios would therefore gauge both the strength of DMS sources and the extent of DMSO heterogeneous oxidation if Rhet = MeSO3(-)/SO4(2-) for DMSO(aq) + ·OH(g) were known. Here, we report that Rhet = 2.7, a value obtained from online electrospray mass spectra of DMSO(aq) + ·OH(g) reaction products that quantifies the MeSO3(-) produced in DMSO heterogeneous oxidation on aqueous aerosols for the first time. On this basis, the inverse R dependence on particle radius in size-segregated aerosol collected over Syowa station and Southern oceans is shown to be consistent with the competition between DMSO gas-phase oxidation and its mass accommodation followed by oxidation on aqueous droplets. Geographical R variations are thus associated with variable contributions of the heterogeneous pathway to DMSO atmospheric oxidation, which increase with the specific surface area of local aerosols.

  11. Asymmetric Arginine dimethylation of Epstein-Barr virus nuclear antigen 2 promotes DNA targeting

    International Nuclear Information System (INIS)

    Gross, Henrik; Barth, Stephanie; Palermo, Richard D.; Mamiani, Alfredo; Hennard, Christine; Zimber-Strobl, Ursula; West, Michelle J.; Kremmer, Elisabeth; Graesser, Friedrich A.

    2010-01-01

    The Epstein-Barr virus (EBV) growth-transforms B-lymphocytes. The virus-encoded nuclear antigen 2 (EBNA2) is essential for transformation and activates gene expression by association with DNA-bound transcription factors such as RBPJκ (CSL/CBF1). We have previously shown that EBNA2 contains symmetrically dimethylated Arginine (sDMA) residues. Deletion of the RG-repeat results in a reduced ability of the virus to immortalise B-cells. We now show that the RG repeat also contains asymmetrically dimethylated Arginines (aDMA) but neither non-methylated (NMA) Arginines nor citrulline residues. We demonstrate that only aDMA-containing EBNA2 is found in a complex with DNA-bound RBPJκ in vitro and preferentially associates with the EBNA2-responsive EBV C, LMP1 and LMP2A promoters in vivo. Inhibition of methylation in EBV-infected cells results in reduced expression of the EBNA2-regulated viral gene LMP1, providing additional evidence that methylation is a prerequisite for DNA-binding by EBNA2 via association with the transcription factor RBPJκ.

  12. γ-ray dosimetry using pararosaniline cyanide in dimethyl sulfoxide solutions

    International Nuclear Information System (INIS)

    El-Assy, N.B.; Roushdy, H.M.; Rageh, M.; McLaughlin, W.L.; Levine, H.

    1982-01-01

    A chemical radiochromic dosimeter using pararosaniline cyanide in dimethyl sulfoxide can be used over a wide absorbed dose range. Experiments show that the dosimeter has a main optical absorption maximum at 554nm, which is 5nm higher than that of other polar solvents. Millimolar solutions of leucodye containing small amounts of carboxylic acid or nitrobenzene show a linear response for absorbed doses up to 11.75kGy. The yield of dye is linear with concentration up to 5mM. At that concentration the upper limit of linear response range can be extended to about 40kGy. The lower dose limit for 50mM concentration of the dye precursor hexahydroxyethyl pararosaniline (lambdasub(max)=608nm) is about 3Gy, with +-5%SD at a 95% confidence level, when using a 5cm pathlength cell. Dye formation yield varies not only with concentration of the leucocyanide, but also with type of oxidizing agent and temperature during irradiation. The latter parameter is especially critical, as dimethyl sulfoxide freezes at 17 0 C. The effect of storage temperature on the color produced after irradiation at different dose levels was also studied. (author)

  13. N-(4-Bromobenzyl-2-(5,6-dimethyl-1H-benzo[d]imid-azol-2-ylbenzeneamine

    Directory of Open Access Journals (Sweden)

    Monika Dziełak

    2018-01-01

    Full Text Available N-(4-Bromobenzyl-2-(5,6-dimethyl-1H-benzo[d]imidazol-2-ylbenzeneamine was obtained by condensation of N-(4-bromobenzyl-3,1-benzoxazine-2,4-dione (N-(4-bromobenzylisatoic anhydride with 4,5-dimethyl-1,2-phenylenediamine in refluxing acetic acid. This is a rare example of condensation of N-substituted 3,1-benzoxazine-2,4-dione with 1,2-phenylenediamine, which resulted in the formation of a benzimidazole derivative with a moderate yield. Crystallographic studies and initial biological screening were performed for the obtained product.

  14. The conversion of dimethyl ether over Pt/H-ZSM5. A bifunctional catalyzed reaction

    NARCIS (Netherlands)

    Engelen, C.W.R.; Wolthuizen, J.P.; Hooff, van J.H.C.; Imelik, B.; Naccache, C.; Coudurier, G.

    1985-01-01

    At low temperatures dimethylether mixed with hydrogen reacts over a platinum loaded H-ZSM5 catalyst selectivity to methane. Two successive steps can be distinguished; first the acid-catalyzed formation of a trimethyloxoniumion, followed by a metal-catalyzed hydrogenation to methane. Experiments with

  15. Presence of hydrogen peroxide, a source of hydroxyl radicals, in acid electrolyzed water.

    Directory of Open Access Journals (Sweden)

    Takayuki Mokudai

    Full Text Available BACKGROUND: Acid electrolyzed water (AEW, which is produced through the electrolysis of dilute sodium chloride (NaCl or potassium chloride solution, is used as a disinfectant in various fields because of its potent antimicrobial activity. The hydroxyl radical, an oxygen radical species, is often suggested as a putative active ingredient for AEW antimicrobial activity. METHODOLOGY/PRINCIPAL FINDINGS: The aim of the present study is to detect hydroxyl radicals in AEW. The hydroxyl radicals in AEW prepared under different conditions were determined using an electron spin resonance (ESR technique. A signal from 5,5-dimethyl-1-pyrroline N-oxide (DMPO-OH, an adduct of DMPO and the hydroxyl radical, was detected in AEW prepared by double or triple electrolyses of 1% NaCl but not of 0.1% NaCl solution. Then the presence of hydrogen peroxide as a proposed source of hydroxyl radicals was examined using a combination of ESR and a Fenton reaction. The DMPO-OH signal was clearly detected, even in AEW prepared by single electrolysis of 0.1% NaCl solution, when ferrous sulfate was added to induce a Fenton reaction, indicating the presence of hydrogen peroxide in the AEW. Since sodium formate, a hydroxyl radical scavenger, did not affect the bactericidal activity of AEW, it is concluded that the radical is unlikely to contribute to the antimicrobial activity of AEW, although a small amount of the radical is produced from hydrogen peroxide. Dimethyl sulfoxide, the other hydroxyl radical scavenger used in the present study, canceled the bactericidal activity of AEW, accompanied by complete depletion of free available chlorine, suggesting that hypochlorous acid is probably a major contributor to the antimicrobial activity. CONCLUSIONS: It is strongly suggested that although hydrogen peroxide is present in AEW as a source of hydroxyl radicals, the antimicrobial activity of AEW does not depend on these radicals.

  16. Hydrogen Storage In Nanostructured Materials

    OpenAIRE

    Assfour, Bassem

    2011-01-01

    Hydrogen is an appealing energy carrier for clean energy use. However, storage of hydrogen is still the main bottleneck for the realization of an energy economy based on hydrogen. Many materials with outstanding properties have been synthesized with the aim to store enough amount of hydrogen under ambient conditions. Such efforts need guidance from material science, which includes predictive theoretical tools. Carbon nanotubes were considered as promising candidates for hydrogen storag...

  17. Hydrogen storage and generation system

    Science.gov (United States)

    Dentinger, Paul M.; Crowell, Jeffrey A. W.

    2010-08-24

    A system for storing and generating hydrogen generally and, in particular, a system for storing and generating hydrogen for use in an H.sub.2/O.sub.2 fuel cell. The hydrogen storage system uses the beta particles from a beta particle emitting material to degrade an organic polymer material to release substantially pure hydrogen. In a preferred embodiment of the invention, beta particles from .sup.63Ni are used to release hydrogen from linear polyethylene.

  18. California Hydrogen Infrastructure Project

    Energy Technology Data Exchange (ETDEWEB)

    Heydorn, Edward C

    2013-03-12

    Air Products and Chemicals, Inc. has completed a comprehensive, multiyear project to demonstrate a hydrogen infrastructure in California. The specific primary objective of the project was to demonstrate a model of a real-world retail hydrogen infrastructure and acquire sufficient data within the project to assess the feasibility of achieving the nation's hydrogen infrastructure goals. The project helped to advance hydrogen station technology, including the vehicle-to-station fueling interface, through consumer experiences and feedback. By encompassing a variety of fuel cell vehicles, customer profiles and fueling experiences, this project was able to obtain a complete portrait of real market needs. The project also opened its stations to other qualified vehicle providers at the appropriate time to promote widespread use and gain even broader public understanding of a hydrogen infrastructure. The project engaged major energy companies to provide a fueling experience similar to traditional gasoline station sites to foster public acceptance of hydrogen. Work over the course of the project was focused in multiple areas. With respect to the equipment needed, technical design specifications (including both safety and operational considerations) were written, reviewed, and finalized. After finalizing individual equipment designs, complete station designs were started including process flow diagrams and systems safety reviews. Material quotes were obtained, and in some cases, depending on the project status and the lead time, equipment was placed on order and fabrication began. Consideration was given for expected vehicle usage and station capacity, standard features needed, and the ability to upgrade the station at a later date. In parallel with work on the equipment, discussions were started with various vehicle manufacturers to identify vehicle demand (short- and long-term needs). Discussions included identifying potential areas most suited for hydrogen fueling

  19. Hydrogen, energy of the future?

    International Nuclear Information System (INIS)

    Alleau, Th.

    2007-01-01

    A cheap, non-polluting energy with no greenhouse gas emissions and unlimited resources? This is towards this fantastic future that this book brings us, analyzing the complex but promising question of hydrogen. The scientific and technical aspects of production, transport, storage and distribution raised by hydrogen are thoroughly reviewed. Content: I) Energy, which solutions?: 1 - hydrogen, a future; 2 - hydrogen, a foreseeable solution?; II) Hydrogen, an energy vector: 3 - characteristics of hydrogen (physical data, quality and drawbacks); 4 - hydrogen production (from fossil fuels, from water, from biomass, bio-hydrogen generation); 5 - transport, storage and distribution of hydrogen; 6 - hydrogen cost (production, storage, transport and distribution costs); III) Fuel cells and ITER, utopias?: 7 - molecular hydrogen uses (thermal engines and fuel cells); 8 - hydrogen and fusion (hydrogen isotopes, thermonuclear reaction, ITER project, fusion and wastes); IV) Hydrogen acceptability: 9 - risk acceptability; 10 - standards and regulations; 11 - national, European and international policies about hydrogen; 12 - big demonstration projects in France and in the rest of the world; conclusion. (J.S.)

  20. Future hydrogen markets for large-scale hydrogen production systems

    International Nuclear Information System (INIS)

    Forsberg, Charles W.

    2007-01-01

    The cost of delivered hydrogen includes production, storage, and distribution. For equal production costs, large users (>10 6 m 3 /day) will favor high-volume centralized hydrogen production technologies to avoid collection costs for hydrogen from widely distributed sources. Potential hydrogen markets were examined to identify and characterize those markets that will favor large-scale hydrogen production technologies. The two high-volume centralized hydrogen production technologies are nuclear energy and fossil energy with carbon dioxide sequestration. The potential markets for these technologies are: (1) production of liquid fuels (gasoline, diesel and jet) including liquid fuels with no net greenhouse gas emissions and (2) peak electricity production. The development of high-volume centralized hydrogen production technologies requires an understanding of the markets to (1) define hydrogen production requirements (purity, pressure, volumes, need for co-product oxygen, etc.); (2) define and develop technologies to use the hydrogen, and (3) create the industrial partnerships to commercialize such technologies. (author)

  1. Ionization of Interstellar Hydrogen

    Science.gov (United States)

    Whang, Y. C.

    1996-09-01

    Interstellar hydrogen can penetrate through the heliopause, enter the heliosphere, and may become ionized by photoionization and by charge exchange with solar wind protons. A fluid model is introduced to study the flow of interstellar hydrogen in the heliosphere. The flow is governed by moment equations obtained from integration of the Boltzmann equation over the velocity space. Under the assumption that the flow is steady axisymmetric and the pressure is isotropic, we develop a method of solution for this fluid model. This model and the method of solution can be used to study the flow of neutral hydrogen with various forms of ionization rate β and boundary conditions for the flow on the upwind side. We study the solution of a special case in which the ionization rate β is inversely proportional to R2 and the interstellar hydrogen flow is uniform at infinity on the upwind side. We solve the moment equations directly for the normalized density NH/NN∞, bulk velocity VH/VN∞, and temperature TH/TN∞ of interstellar hydrogen as functions of r/λ and z/λ, where λ is the ionization scale length. The solution is compared with the kinetic theory solution of Lallement et al. The fluid solution is much less time-consuming than the kinetic theory solutions. Since the ionization rate for production of pickup protons is directly proportional to the local density of neutral hydrogen, the high-resolution solution of interstellar neutral hydrogen obtained here will be used to study the global distribution of pickup protons.

  2. Hydrogen concentration control utilizing a hydrogen permeable membrane

    International Nuclear Information System (INIS)

    Keating, S.J. Jr.

    1976-01-01

    The concentration of hydrogen in a fluid mixture is controlled to a desired concentration by flowing the fluid through one chamber of a diffusion cell separated into two chambers by a hydrogen permeable membrane. A gradient of hydrogen partial pressure is maintained across the membrane to cause diffusion of hydrogen through the membrane to maintain the concentration of hydrogen in the fluid mixture at the predetermined level. The invention has particular utility for the purpose of injecting into and/or separating hydrogen from the reactor coolant of a nuclear reactor system

  3. Hydrogen molecules and hydrogen-related defects in crystalline silicon

    OpenAIRE

    Fukata, N.; Sasak, S.; Murakami, K.; Ishioka, K.; Nakamura, K. G.; Kitajima, M.; Fujimura, S.; Kikuchi, J.; Haneda, H.

    1997-01-01

    We have found that hydrogen exists in molecular form in crystalline silicon treated with hydrogen atoms in the downstream of a hydrogen plasma. The vibrational Raman line of hydrogen molecules is observed at 4158cm-1 for silicon samples hydrogenated between 180 and 500 °C. The assignment of the Raman line is confirmed by its isotope shift to 2990cm-1 for silicon treated with deuterium atoms. The Raman intensity has a maximum for hydrogenation at 400 °C. The vibrational Raman line of the hydro...

  4. Magnetic liquefier for hydrogen

    International Nuclear Information System (INIS)

    1992-01-01

    This document summarizes work done at the Astronautics Technology Center of the Astronautics Corporation of America (ACA) in Phase 1 of a four phase program leading to the development of a magnetic liquefier for hydrogen. The project involves the design, fabrication, installation, and operation of a hydrogen liquefier providing significantly reduced capital and operating costs, compared to present liquefiers. To achieve this goal, magnetic refrigeration, a recently developed, highly efficient refrigeration technology, will be used for the liquefaction process. Phase 1 project tasks included liquefier conceptual design and analysis, preliminary design of promising configurations, design selection, and detailed design of the selected design. Fabrication drawings and vendor specifications for the selected design were completed during detailed design. The design of a subscale, demonstration magnetic hydrogen liquefier represents a significant advance in liquefaction technology. The cost reductions that can be realized in hydrogen liquefaction in both the subscale and, more importantly, in the full-scale device are expected to have considerable impact on the use of liquid hydrogen in transportation, chemical, and electronic industries. The benefits to the nation from this technological advance will continue to have importance well into the 21st century

  5. The hydrogen laminar jet

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-Sanz, M. [Departamento de Motopropulsion y Termofluidomecanica, ETSI Aeronauticos, Universidad Politecnica de Madrid, 28040 Madrid (Spain); Rosales, M. [Department Ingenieria Termica y de Fluidos, Universidad Carlos III de Madrid, 28911, Leganes (Spain); Instituto de Innovacion en Mineria y Metalurgia, Avenida del Valle 738, Santiago (Chile); Sanchez, A.L. [Department Ingenieria Termica y de Fluidos, Universidad Carlos III de Madrid, 28911, Leganes (Spain)

    2010-04-15

    Numerical and asymptotic methods are used to investigate the structure of the hydrogen jet discharging into a quiescent air atmosphere. The analysis accounts in particular for the variation of the density and transport properties with composition. The Reynolds number of the flow R{sub j}, based on the initial jet radius a, the density {rho}{sub j} and viscosity {mu}{sub j} of the jet and the characteristic jet velocity u{sub j}, is assumed to take moderately large values, so that the jet remains slender and stable, and can be correspondingly described by numerical integration of the continuity, momentum and species conservation equations written in the boundary-layer approximation. The solution for the velocity and composition in the jet development region of planar and round jets, corresponding to streamwise distances of order R{sub j}a, is computed numerically, along with the solutions that emerge both in the near field and in the far field. The small value of the hydrogen-to-air molecular weight ratio is used to simplify the solution by considering the asymptotic limit of vanishing jet density. The development provides at leading-order explicit analytical expressions for the far-field velocity and hydrogen mass fraction that describe accurately the hydrogen jet near the axis. The information provided can be useful in particular to characterize hydrogen discharge processes from holes and cracks. (author)

  6. Hydrogen Contractors Meeting

    Energy Technology Data Exchange (ETDEWEB)

    Fitzsimmons, Tim [Dept. of Energy (DOE), Washington DC (United States). Office of Basic Energy Sciences. Division of Materials Sciences and Engineering

    2006-05-16

    This volume highlights the scientific content of the 2006 Hydrogen Contractors Meeting sponsored by the Division of Materials Sciences and Engineering (DMS&E) on behalf of the Office of Basic Energy Sciences (BES) of the U. S. Department of Energy (DOE). Hydrogen Contractors Meeting held from May 16-19, 2006 at the Crystal Gateway Marriott Hotel Arlington, Virginia. This meeting is the second in a series of research theme-based Contractors Meetings sponsored by DMS&E held in conjunction with our counterparts in the Office of Energy Efficiency and Renewable Energy (EERE) and the first with the Hydrogen, Fuel Cells and Infrastructure Technologies Program. The focus of this year’s meeting is BES funded fundamental research underpinning advancement of hydrogen storage. The major goals of these research efforts are the development of a fundamental scientific base in terms of new concepts, theories and computational tools; new characterization capabilities; and new materials that could be used or mimicked in advancing capabilities for hydrogen storage.

  7. Hot Hydrogen Test Facility

    International Nuclear Information System (INIS)

    W. David Swank

    2007-01-01

    The core in a nuclear thermal rocket will operate at high temperatures and in hydrogen. One of the important parameters in evaluating the performance of a nuclear thermal rocket is specific impulse, ISp. This quantity is proportional to the square root of the propellant's absolute temperature and inversely proportional to square root of its molecular weight. Therefore, high temperature hydrogen is a favored propellant of nuclear thermal rocket designers. Previous work has shown that one of the life-limiting phenomena for thermal rocket nuclear cores is mass loss of fuel to flowing hydrogen at high temperatures. The hot hydrogen test facility located at the Idaho National Lab (INL) is designed to test suitability of different core materials in 2500 C hydrogen flowing at 1500 liters per minute. The facility is intended to test non-uranium containing materials and therefore is particularly suited for testing potential cladding and coating materials. In this first installment the facility is described. Automated Data acquisition, flow and temperature control, vessel compatibility with various core geometries and overall capabilities are discussed

  8. Microfabricated hydrogen sensitive membranes

    Energy Technology Data Exchange (ETDEWEB)

    Naddaf, A.; Kraetz, L. [Lehrstuhl fuer Thermische Verfahrenstechnik, Technische Universitaet Kaiserslautern (Germany); Detemple, P.; Schmitt, S.; Hessel, V. [Institut fuer Mikrotechnik Mainz GmbH, Mainz (Germany); Faqir, N. [University of Jordan, Amman (Jordan); Bart, H.J.

    2009-01-15

    Thin, defect-free palladium, palladium/copper and palladium/silver hydrogen absorbing membranes were microfabricated. A dual sputtering technique was used to deposit the palladium alloy membranes of only 1 {mu}m thickness on a nonporous silicon substrate. Advanced silicon etching (ASE) was applied on the backside to create a mechanically stable support structure for the thin films. Performance evaluation was carried out for different gases in a temperature range of 20 C to 298 C at a constant differential pressure of 110 kPa at the two sides of the membrane. The composite membranes show an excellent permeation rate of hydrogen, which appears to be 0.05 Pa m{sup 3} s{sup -1} and 0.01.10{sup -3} Pa m{sup 3} s{sup -1} at 20 C for the microfabricated 23 % silver and the 53 % copper composite membranes, respectively. The selectivity to hydrogen over a gas mixture containing, in addition to hydrogen, carbon monoxide, carbon dioxide and nitrogen was measured. The mass spectrometer did not detect any CO{sub 2} or CO, showing that the membrane is completely hydrogen selective. The microfabricated membranes exhibit both high mechanical strength (they easily withstand pressures up to 4 bar) and high thermal stability (up to 650 C). (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  9. Possibilities of hydrogen removal

    International Nuclear Information System (INIS)

    Langer, G.; Koehling, A.; Nikodem, H.

    1982-12-01

    In the event of hypothetical severe accidents in light-water reactors, considerable amounts of hydrogen may be produced and released into the containment. Combustion of the hydrogen may jeopardize the integrity of the containment. The study reported here aimed to identify methods to mitigate the hydrogen problem. These methods should either prevent hydrogen combustion, or limit its effects. The following methods have been investigated: pre-inerting; chemical oxygen absorption; removal of oxygen by combustion; post-inerting with N 2 , CO 2 , or halon; aqueous foam; water fog; deliberate ignition; containment purging; and containment venting. The present state of the art in both nuclear and non-nuclear facilities, has been identified. The assessment of the methods was based on accident scenarios assuming significant release of hydrogen and the spectrum of requirements derived from these scenarios was used to determine the advantages and drawbacks of the various methods, assuming their application in a pressurized-water reactor of German design. (orig.) [de

  10. Saga of hydrogen civilization

    Energy Technology Data Exchange (ETDEWEB)

    Veziroglu, T.N. [Univ. of Miami, Coral Gables, FL (United States). Clean Energy Research Institute

    2008-09-30

    In the 1960s, air pollution in cities became an important issue hurting the health of people. The author became interested in environmental issues in general and air pollution in particular. He started studying possible vehicle fuels, with a view of determining the fuel which would cause little or no pollution. He particularly studied methanol, ethanol, ammonia and hydrogen as well as the gasohols (i.e., the mixtures of gasoline and methanol and/or ethanol). His investigation of fuels for transportation lasted five years (1967-1972). The result was that hydrogen is the cleanest fuel, and it is also the most efficient one. It would not produce CO (carbon monoxide), CO{sub 2} (carbon dioxide), SO{sub x}, hydrocarbons, soot and particulates. If hydrogen was burned in oxygen, it would not produce NO{sub x} either. If it burned in air, there would then be some NO{sub x} produced. Since the author has always believed that engineers and scientists should strive to find solutions to the problems facing humankind and the world, he established the Clean Energy Research Institute (CERI) at the University of Miami in 1973. The mission of the Institute was to find a solution or solutions to the energy problem, so the world economy can function properly and provide humankind with high living standards. To find clean forms of energy was also the mission of the Institute, so that they would not produce pollution and damage the health of flora, fauna and humans, as well as the environment of the planet Earth as a whole. CERI looked at all of the possible primary energy sources, including solar, wind, currents, waves, tides, geothermal, nuclear breeders and thermonuclear. Although they are much cleaner and would last much longer than fossil fuels, these sources were not practical for use. They were not storable or transportable by themselves, except nuclear. They could not be used as a fuel for transportation by themselves, except nuclear for marine transportation. In order to solve

  11. Hydrogen in energy transition

    International Nuclear Information System (INIS)

    2016-02-01

    This publication proposes a rather brief overview of challenges related to the use of hydrogen as an energy vector in the fields of transports and of energy storage to valorise renewable energies. Processes (steam reforming of natural gas or bio-gas, alkaline or membrane electrolysis, biological production), installation types (centralised or decentralised), raw materials and/or energy (natural gas, water, bio-gas, electricity, light), and their respective industrial maturity are indicated. The role of hydrogen to de-carbonate different types of transports is described (complementary energy for internal combustion as well as electrical vehicles) as well as its role in the valorisation and integration of renewable energies. The main challenges faced by the hydrogen sector are identified and discussed, and actions undertaken by the ADEME are indicated

  12. 40 CFR 721.10056 - Benzenemethanaminium, N-(3-aminopropyl)-N,N-dimethyl-, N-soya acyl derivs., chlorides.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzenemethanaminium, N-(3-aminopropyl...-aminopropyl)-N,N-dimethyl-, N-soya acyl derivs., chlorides. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzenemethanaminium, N-(3-aminopropyl)-N,N...

  13. Optimizing the Performance of a 50cc Compression Ignition Two-Stroke Engine Operating on Dimethyl Ether

    DEFF Research Database (Denmark)

    Hansen, Kim Rene; Dolriis, J.D.; Hansson, C.

    2011-01-01

    The paper describes the optimization of a 50cc crankcase scavenged two-stroke diesel engine operating on dimethyl ether (DME). The optimization is primarily done with respect to engine efficiency. The underlying idea behind the work is that the low weight, low internal friction and low engine...

  14. Evaluation of the binding interaction between bovine serum albumin and dimethyl fumarate, an anti-inflammatory drug by multispectroscopic methods

    Science.gov (United States)

    Jattinagoudar, Laxmi; Meti, Manjunath; Nandibewoor, Sharanappa; Chimatadar, Shivamurti

    2016-03-01

    The information of the quenching reaction of bovine serum albumin with dimethyl fumarate is obtained by multi-spectroscopic methods. The number of binding sites, n and binding constants, KA were determined at different temperatures. The effect of increasing temperature on Stern-Volmer quenching constants (KD) indicates that a dynamic quenching mechanism is involved in the interaction. The analysis of thermodynamic quantities namely, ∆H° and ∆S° suggested hydrophobic forces playing a major role in the interaction between dimethyl fumarate and bovine serum albumin. The binding site of dimethyl fumarate on bovine serum albumin was determined by displacement studies, using the site probes viz., warfarin, ibuprofen and digitoxin. The determination of magnitude of the distance of approach for molecular interactions between dimethyl fumarate and bovine serum albumin is calculated according to the theory of Förster energy transfer. The CD, 3D fluorescence spectra, synchronous fluorescence measurements and FT-IR spectral results were indicative of the change in secondary structure of the protein. The influence of some of the metal ions on the binding interaction was also studied.

  15. Notochord in Tilapia nilotica Exposed to Sublethal Dose of Malathion, S[1, 2-Di(EthoxycarbonylEthyl] Dimethyl Phosphorothiolothionate

    Directory of Open Access Journals (Sweden)

    Edna Amparado

    1992-06-01

    Full Text Available Exposure of Tilapia nilotica embryos to sublethal dose of 1.0 ppm commercial grade malathion, S[1,2-di(ethoxycarbonylethyl] dimethyl phosphorothiolothionate from day-10 post fertilization resulted in notochordal aberrations. Pesticide-treated fishes exhibited constriction of the notochordal sheath, folding at the posterior sections and larger notochord than those of the control group.

  16. Voltammetric Determination of N,N-Dimethyl-4-amine-carboxyazobenzene at a Silver Solid Amalgam Electrode

    Czech Academy of Sciences Publication Activity Database

    Barek, J.; Dodova, E.; Navrátil, Tomáš; Josypčuk, Bohdan; Novotný, Ladislav; Zima, J.

    2003-01-01

    Roč. 15, č. 22 (2003), s. 1778-1781 ISSN 1040-0397 Grant - others:GIT(AR) 101/02/U111/CZ Institutional research plan: CEZ:AV0Z4040901 Keywords : N,N-dimethyl-4-amino-carboxyazobenzene * differential pulse voltammetry * silver solid amalgam electrode Subject RIV: CG - Electrochemistry Impact factor: 1.811, year: 2003

  17. 16,16-dimethyl prostaglandin E2 increases survival of murine intestinal stem cells when given before photon radiation

    International Nuclear Information System (INIS)

    Hanson, W.R.; Thomas, C.

    1983-01-01

    A variety of prostaglandins (PG) protect the gastric and intestinal mucosa when given before damaging agents as absolute ethanol, acidified taurocholate, boiling water, or nonsteroidal anti-inflammatory agents (NSAI). A synthetic prostaglandin, 16,16-dimethyl PGE 2 , shown to be cytoprotective at physiologic levels to the above agents was given to mice 1 h before or 15 min after 137 Cs gamma(γ) whole-body irradiation. The survival of intestinal stem cells measured by their ability to form in situ colonies of regenerating epithelium was increased stem cells measured by their ability to form in situ colonies of regenerating epithelium was increased when 16,16-dimethyl PGE 2 was given before but not after 137 Cs γ irradiation. The maximum degree of 16,16-dimethyl PGE 2 -induced radioprotection was seen when the drug was given 1 h before irradiation. No radioprotection was seen when the interval between drug and irradiation was 3 h or longer. When the time between 16,16-dimethyl PGE 2 and irradiation was kept at 1 h, the degree of radioprotection was dependent on the PG drug dose. There was a steep rise in the number of surviving cells at low doses of PG. These results imply that tumors which secrete PGE 2 may in part be protected from the lethal effects of ionizing photon radiation

  18. Perfluoroalkylation of Aryl-N,N-dimethyl Hydrazones Using Hypervalent Iodine(III) Reagents or Perfluoroalkyl Iodides.

    Science.gov (United States)

    Janhsen, Benjamin; Studer, Armido

    2017-11-17

    Radical trifluoromethylation of aryl N,N-dimethyl hydrazones using TBAI as an initiator and Togni's reagent as a trifluoromethyl radical source is described. Cascades proceed via electron-catalysis; this approach is generally more applicable to hydrazone perfluoroalkylation using perfluoroalkyl iodides as the radical precursors in combination with a base under visible-light initiation.

  19. Hydrogen vehicle fueling station

    Energy Technology Data Exchange (ETDEWEB)

    Daney, D.E.; Edeskuty, F.J.; Daugherty, M.A. [Los Alamos National Lab., NM (United States)] [and others

    1995-09-01

    Hydrogen fueling stations are an essential element in the practical application of hydrogen as a vehicle fuel, and a number of issues such as safety, efficiency, design, and operating procedures can only be accurately addressed by a practical demonstration. Regardless of whether the vehicle is powered by an internal combustion engine or fuel cell, or whether the vehicle has a liquid or gaseous fuel tank, the fueling station is a critical technology which is the link between the local storage facility and the vehicle. Because most merchant hydrogen delivered in the US today (and in the near future) is in liquid form due to the overall economics of production and delivery, we believe a practical refueling station should be designed to receive liquid. Systems studies confirm this assumption for stations fueling up to about 300 vehicles. Our fueling station, aimed at refueling fleet vehicles, will receive hydrogen as a liquid and dispense it as either liquid, high pressure gas, or low pressure gas. Thus, it can refuel any of the three types of tanks proposed for hydrogen-powered vehicles -- liquid, gaseous, or hydride. The paper discusses the fueling station design. Results of a numerical model of liquid hydrogen vehicle tank filling, with emphasis on no vent filling, are presented to illustrate the usefulness of the model as a design tool. Results of our vehicle performance model illustrate our thesis that it is too early to judge what the preferred method of on-board vehicle fuel storage will be in practice -- thus our decision to accommodate all three methods.

  20. Hydrogen: Fueling the Future

    International Nuclear Information System (INIS)

    Leisch, Jennifer

    2007-01-01

    As our dependence on foreign oil increases and concerns about global climate change rise, the need to develop sustainable energy technologies is becoming increasingly significant. Worldwide energy consumption is expected to double by the year 2050, as will carbon emissions along with it. This increase in emissions is a product of an ever-increasing demand for energy, and a corresponding rise in the combustion of carbon containing fossil fuels such as coal, petroleum, and natural gas. Undisputable scientific evidence indicates significant changes in the global climate have occurred in recent years. Impacts of climate change and the resulting atmospheric warming are extensive, and know no political or geographic boundaries. These far-reaching effects will be manifested as environmental, economic, socioeconomic, and geopolitical issues. Offsetting the projected increase in fossil energy use with renewable energy production will require large increases in renewable energy systems, as well as the ability to store and transport clean domestic fuels. Storage and transport of electricity generated from intermittent resources such as wind and solar is central to the widespread use of renewable energy technologies. Hydrogen created from water electrolysis is an option for energy storage and transport, and represents a pollution-free source of fuel when generated using renewable electricity. The conversion of chemical to electrical energy using fuel cells provides a high efficiency, carbon-free power source. Hydrogen serves to blur the line between stationary and mobile power applications, as it can be used as both a transportation fuel and for stationary electricity generation, with the possibility of a distributed generation energy infrastructure. Hydrogen and fuel cell technologies will be presented as possible pollution-free solutions to present and future energy concerns. Recent hydrogen-related research at SLAC in hydrogen production, fuel cell catalysis, and hydrogen