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Sample records for n-hexane 2-methylpentane 3-methylpentane

  1. Crystallization of DNA fragments from water-salt solutions, containing 2-methylpentane-2,3-diol.

    Science.gov (United States)

    Osica, V D; Sukharevsky, B Y; Vasilchenko, V N; Verkin, B I; Polyvtsev, O F

    1976-09-01

    Fragments of calf thymus DNA have been crystallized by precipitation from water-salt solutions, containing 2-methylpentane-2,3-diol (MPD). DNA crystals usually take the form either of spherulites up to 100 mu in diameter or of needles with the length up to 50 mu. No irreversible denaturation of DNA occurs during the crystallization process. X-ray diffraction from dense slurries of DNA crystals yields crystalline powder patterns.

  2. Gamma radiolysis of 3-methylpentane. Effect of added olefins on the formation of C12-olefins

    International Nuclear Information System (INIS)

    Laet, M. de; Tilquin, B.

    1991-01-01

    Contributions of congruent (parent derived) olefins to the formation of unsaturated heavy products (C 12 H 24 ) are investigated. Effects of dose or of olefinic additives on the G yield values are studied by capillary gas chromatography. The dose dependence is explained by transfer of positive charge to congruent olefins (C 6 H 12 ) even though their concentrations build up linearly with dose. γ Irradiation of 3-methylpentane containing pentenes or butenes (0.2-2 mol %) provides good examples of transfer of energy, however the results are unexpected. C-H scission in the radiolysis of solid 3-methylpentane is also reviewed. (author)

  3. Collective excitations in liquid and glassy 3-methylpentane

    KAUST Repository

    Benassi, Paola

    2015-09-28

    We present a detailed investigation of the terahertz vibrational dynamics of 3-methylpentane performed by means of high-resolution inelastic x-ray scattering (IXS). We probe the dynamics in a large temperature range, which includes the glass, the supercooled liquid, and the liquid phases. The characteristic frequency of the excitations follows a well-defined dispersion curve extending beyond 8nm−1 at all the investigated temperatures, indicating the persistence of a solidlike behavior also in the liquid phase. This implies the existence of a pseudo-Brillouin zone whose size compares surprisingly well with the periodicity inferred from the first sharp diffraction peak in the static structure factor. We show that, in the investigated temperature range, both sizes undergo a variation of about 15%–20%, comparable to that of the average intermolecular distance. We finally show that the IXS sound velocity coincides with the infinite frequency sound velocity previously inferred from visible and ultraviolet Brillouin spectroscopy data. This analysis confirms the role of the shear relaxation processes in determining the variation with frequency of the apparent sound velocity.

  4. Collective excitations in liquid and glassy 3-methylpentane

    KAUST Repository

    Benassi, Paola; Nardone, Michele; Giugni, Andrea; Baldi, Giacomo; Fontana, Aldo

    2015-01-01

    We present a detailed investigation of the terahertz vibrational dynamics of 3-methylpentane performed by means of high-resolution inelastic x-ray scattering (IXS). We probe the dynamics in a large temperature range, which includes the glass, the supercooled liquid, and the liquid phases. The characteristic frequency of the excitations follows a well-defined dispersion curve extending beyond 8nm−1 at all the investigated temperatures, indicating the persistence of a solidlike behavior also in the liquid phase. This implies the existence of a pseudo-Brillouin zone whose size compares surprisingly well with the periodicity inferred from the first sharp diffraction peak in the static structure factor. We show that, in the investigated temperature range, both sizes undergo a variation of about 15%–20%, comparable to that of the average intermolecular distance. We finally show that the IXS sound velocity coincides with the infinite frequency sound velocity previously inferred from visible and ultraviolet Brillouin spectroscopy data. This analysis confirms the role of the shear relaxation processes in determining the variation with frequency of the apparent sound velocity.

  5. Application of a new tandem isomerization-aldolization reaction of allylic alcohols to the synthesis of three diastereoisomers of (2R)-1,2-O-isopropylidene-4-methylpentane-1,2,3,5-tetraol.

    Science.gov (United States)

    Cuperly, David; Crévisy, Christophe; Grée, René

    2003-08-08

    The tandem isomerization-aldolization reaction of (2R)-1,2-O-isopropylidene-4-penten-1,2,3-triol 3 and formaldehyde gives a mixture of two aldol products 2a and 2b. The stereoselective reduction of each compound by l-Selectride affords two diastereoisomers of (2R)-1,2-O-Isopropylidene-4-methylpentane-1,2,3,5-tetraol while a third diastereoisomer is obtained by stereoselective reduction with Me(4)NHB(OAc)(3).

  6. Quantitative determination of 4-mercapto-4-methylpentan-2-0ne in Sauvignon wines

    Directory of Open Access Journals (Sweden)

    Patricia Bouchilloux

    1996-03-01

    Full Text Available 4-mercapto-4-methylpentan-2-one (4MMP, a powerful aromatic component from Sauvignon variety, is present at trace levels in the wines from this cultivar. A method is proposed ta measure the amount of 4MMP in Sauvignon wines. It combines the extraction of wines volatile constituents using a dynarnic headspace technique and the selective reaction between thiols and p-hydroxymercuribenzoatc (pHMB. This combination is reversible in presence of an excess of cystein or glutathione. Finally, the organic extract is injected on agas chromatograph coupled with a flame photometric detector. Using this method, 4MMP content in Sauvignon wines can be determined with good repetability and sensitivity. These results enable us to evalue the incidence of viticultural and oenological aspects on the level of this aromatic component in Sauvignon wines.

  7. Localization of a defensive volatile 4-hydroxy-4-methylpentan-2-one in the capitate glandular trichomes of Oenothera glazioviana

    Institute of Scientific and Technical Information of China (English)

    Yanyun Tan; Desen Li; Juan Hua; Shihong Luo; Yan Liu; Shenghong Li

    2017-01-01

    Glandular trichomes of plants produce a wide variety of secondary metabolites which are considered as major defensive chemicals. The capitate glandular trichomes of Oenothera glazioviana (Onagraceae) were collected with laser microdissection and analyzed by gas chromatography-mass spectrometry. The volatile compound 4-hydroxy-4-methylpentan-2-one (1) was identified. We found that compound 1 displays antimicrobial, insecticidal, and phytotoxic activities. These results suggest that compound 1 might function as a defensive compound in the capitate glandular trichomes of O. glazioviana against pathogens, insect herbivores, and presumably competitive plants as well.

  8. Localization of a defensive volatile 4-hydroxy-4-methylpentan-2-one in the capitate glandular trichomes of Oenothera glazioviana

    Directory of Open Access Journals (Sweden)

    Yanyun Tan

    2017-06-01

    Full Text Available Glandular trichomes of plants produce a wide variety of secondary metabolites which are considered as major defensive chemicals. The capitate glandular trichomes of Oenothera glazioviana (Onagraceae were collected with laser microdissection and analyzed by gas chromatography–mass spectrometry. The volatile compound 4-hydroxy-4-methylpentan-2-one (1 was identified. We found that compound 1 displays antimicrobial, insecticidal, and phytotoxic activities. These results suggest that compound 1 might function as a defensive compound in the capitate glandular trichomes of O. glazioviana against pathogens, insect herbivores, and presumably competitive plants as well.

  9. Damping of vibrational excitations in glasses at terahertz frequency: The case of 3-methylpentane

    KAUST Repository

    Baldi, Giacomo

    2017-10-24

    We report a compared analysis of inelastic X ray scattering (IXS) and of low frequency Raman data of glassy 3-methylpentane. The IXS spectra have been analysed allowing for the existence of two distinct excitations at each scattering wavevector obtaining a consistent interpretation of the spectra. In particular, this procedure allows us to interpret the linewidth of the modes in terms of a simple model which relates them to the width of the first sharp diffraction peak in the static structure factor. In this model, the width of the modes arises from the blurring of the dispersion curves which increases approaching the boundary of the first pseudo-Brillouin zone. The position of the boson peak contribution to the density of vibrational states derived from the Raman scattering measurements is in agreement with the interpretation of the two excitations in terms of a longitudinal mode and a transverse mode, the latter being a result of the mixed character of the transverse modes away from the center of the pseudo-Brillouin zone.

  10. Damping of vibrational excitations in glasses at terahertz frequency: The case of 3-methylpentane

    KAUST Repository

    Baldi, Giacomo; Benassi, Paola; Fontana, Aldo; Giugni, Andrea; Monaco, Giulio; Nardone, Michele; Rossi, Flavio

    2017-01-01

    We report a compared analysis of inelastic X ray scattering (IXS) and of low frequency Raman data of glassy 3-methylpentane. The IXS spectra have been analysed allowing for the existence of two distinct excitations at each scattering wavevector obtaining a consistent interpretation of the spectra. In particular, this procedure allows us to interpret the linewidth of the modes in terms of a simple model which relates them to the width of the first sharp diffraction peak in the static structure factor. In this model, the width of the modes arises from the blurring of the dispersion curves which increases approaching the boundary of the first pseudo-Brillouin zone. The position of the boson peak contribution to the density of vibrational states derived from the Raman scattering measurements is in agreement with the interpretation of the two excitations in terms of a longitudinal mode and a transverse mode, the latter being a result of the mixed character of the transverse modes away from the center of the pseudo-Brillouin zone.

  11. The liquid-liquid extraction of chloro-(trichlorostannato)-rhodium(I/III) and -ruthenium (II) complexes from dilute hydrochloric acid into 4-methylpentan-2-one

    International Nuclear Information System (INIS)

    Wyrley-Birch, J.M.

    1984-10-01

    The effect of stannous chloride on the liquid-liquid extraction of rhodium and ruthenium from hydrochloric acid solutions into 4-methyl-pentan-2-one (MIBK)/hexane mixtures was studied in detail. Stannous chloride concentrations were found to considerably increase the efficiency of the extraction of rhodium and ruthenium into the organic phase. Chloro-(trichlorostannato)-rhodium (I/III) complexes were formed at room temperature. The rate of chloro-(trichlorostannato)-ruthenium (II) complex formation was extremely slow at room temperature, but increased on heating of the aqueous solutions. The amount of rhodium and ruthenium extracted into the organic phase depend on the Sn(II):M molar ratio, the HCl, H sup(+) and Cl sup(-) concentrations, as well as the equilibration time. A 119 Sn NMR study of the MIBK extracts, showed that the stoichiometry of the chloro-(trichlorostannato)-rhodium (I/III) complexes extracted into the organic phase was dependent on the Sn(II):Rh(III) molar ratio as well as the HCl, H sup(+) and Cl sup(-) concentrations in the aqueous phase. The predominant species observed in the organic phase from HCl solutions containing Sn(II):Rh(III) ratios >= 5:1, was shown to be an hydrido complex having the form [RhH(SnCl 3 ) 4 Cl] 3 sup(-) or [RhH(SnCl 3 ) 4 ]2 sup(-). An essentially quantitative separation of rhodium and ruthenium was achieved utilising the variation in the rates of rhodium-tin and ruthenium-tin complex formation

  12. Toxicological evaluation and metabolism of two N-alkyl benzamide umami flavour compounds: N-(heptan-4-ylbenzo[d][1,3]dioxole-5-carboxamide and (R-N-(1-methoxy-4-methylpentan-2-yl-3,4-dimethylbenzamide

    Directory of Open Access Journals (Sweden)

    Donald S. Karanewsky

    Full Text Available Toxicological evaluations of two N-alkyl benzamide umami flavour compounds, N-(heptan-4-ylbenzo[d][1,3]dioxole-5-carboxamide (S807, CAS 745047-51-2 and (R-N-(1-methoxy-4-methylpentan-2-yl-3,4-dimethylbenzamide (S9229, CAS 851669-60-8, were completed for the purpose of assessing their safety for use in food and beverage applications. Both S807 and S9229 undergo rapid oxidative metabolism by both rat and human liver microsomes in vitro. In pharmacokinetic studies in rats, the systemic exposure to S9229 on oral administration is very low at all doses (% F < 1%, while that of S807 demonstrated a non-linear dose dependence. In metabolism studies in rats, hydroxylation of the C-4 aryl methyl group was found to be the dominant metabolic pathway for S9229. The dominant metabolic pathway for S807 in the rat involved oxidative scission of the methylenedioxy moiety to produce the corresponding 3,4-dihydroxybenamide which is further converted by Phase II metabolic enzymes to the 3- and 4-O-methyl ethers as well as their corresponding glucuronides. Both S807 and S9229 were not found to be mutagenic or clastogenic in vitro, and did not induce micronuclei in polychromatic erythrocytes in vivo. In a subchronic oral toxicity study in rats, the no-observed-effect-level (NOEL for S807 was 20 mg/kg bw/day when administered in the diet for 13 weeks. The no-observed-adverse-effect-level (NOAEL for S9229 in rats was 100 mg/kg bw/day (highest dose tested when administered in the diet for 28 consecutive days. Keywords: S807, S9229, FEMA GRAS, Subchronic toxicological evaluation, Genetic toxicological evaluation

  13. Selective Methods for C-X Activation in Carbohydrates

    Science.gov (United States)

    2013-01-01

    system, the major products observed for the hydrosilylation of monosaccharides were n-hexane, 2- and 3-methylpentane. Glucose hydrosilylation could... polysaccharide cellulose reacting faster than unprotected glucose. Complete hydrosilylation of methyl cellulose yielded a similar mixture of alkane products

  14. High-Pressure Catalytic Reactions of C6 Hydrocarbons on PlatinumSingle-Crystals and nanoparticles: A Sum Frequency Generation VibrationalSpectroscopic and Kinetic Study

    Energy Technology Data Exchange (ETDEWEB)

    Bratlie, Kaitlin [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    Catalytic reactions of cyclohexene, benzene, n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene on platinum catalysts were monitored in situ via sum frequency generation (SFG) vibrational spectroscopy and gas chromatography (GC). SFG is a surface specific vibrational spectroscopic tool capable of monitoring submonolayer coverages under reaction conditions without gas-phase interference. SFG was used to identify the surface intermediates present during catalytic processes on Pt(111) and Pt(100) single-crystals and on cubic and cuboctahedra Pt nanoparticles in the Torr pressure regime and at high temperatures (300K-450K). At low pressures (<10-6 Torr), cyclohexene hydrogenated and dehydrogenates to form cyclohexyl (C6H11) and π-allyl C6H9, respectively, on Pt(100). Increasing pressures to 1.5 Torr form cyclohexyl, π-allyl C6H9, and 1,4-cyclohexadiene, illustrating the necessity to investigate catalytic reactions at high-pressures. Simultaneously, GC was used to acquire turnover rates that were correlated to reactive intermediates observed spectroscopically. Benzene hydrogenation on Pt(111) and Pt(100) illustrated structure sensitivity via both vibrational spectroscopy and kinetics. Both cyclohexane and cyclohexene were produced on Pt(111), while only cyclohexane was formed on Pt(100). Additionally, π-allyl c-C6H9 was found only on Pt(100), indicating that cyclohexene rapidly dehydrogenates on the (100) surface. The structure insensitive production of cyclohexane was found to exhibit a compensation effect and was analyzed using the selective energy transfer (SET) model. The SET model suggests that the Pt-H system donates energy to the E2u mode of free benzene, which leads to catalysis. Linear C6 (n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene) hydrocarbons were also investigated in the presence and absence of excess hydrogen on Pt

  15. High-temperature catalytic reforming of n-hexane over supported and core-shell Pt nanoparticle catalysts: role of oxide-metal interface and thermal stability.

    Science.gov (United States)

    An, Kwangjin; Zhang, Qiao; Alayoglu, Selim; Musselwhite, Nathan; Shin, Jae-Youn; Somorjai, Gabor A

    2014-08-13

    Designing catalysts with high thermal stability and resistance to deactivation while simultaneously maintaining their catalytic activity and selectivity is of key importance in high-temperature reforming reactions. We prepared Pt nanoparticle catalysts supported on either mesoporous SiO2 or TiO2. Sandwich-type Pt core@shell catalysts (SiO2@Pt@SiO2 and SiO2@Pt@TiO2) were also synthesized from Pt nanoparticles deposited on SiO2 spheres, which were encapsulated by either mesoporous SiO2 or TiO2 shells. n-Hexane reforming was carried out over these four catalysts at 240-500 °C with a hexane/H2 ratio of 1:5 to investigate thermal stability and the role of the support. For the production of high-octane gasoline, branched C6 isomers are more highly desired than other cyclic, aromatic, and cracking products. Over Pt/TiO2 catalyst, production of 2-methylpentane and 3-methylpentane via isomerization was increased selectively up to 420 °C by charge transfer at Pt-TiO2 interfaces, as compared to Pt/SiO2. When thermal stability was compared between supported catalysts and sandwich-type core@shell catalysts, the Pt/SiO2 catalyst suffered sintering above 400 °C, whereas the SiO2@Pt@SiO2 catalyst preserved the Pt nanoparticle size and shape up to 500 °C. The SiO2@Pt@TiO2 catalyst led to Pt nanoparticle sintering due to incomplete protection of the TiO2 shells during the reaction at 500 °C. Interestingly, over the Pt/TiO2 catalyst, the average size of Pt nanoparticles was maintained even after 500 °C without sintering. In situ ambient pressure X-ray photoelectron spectroscopy demonstrated that the Pt/TiO2 catalyst did not exhibit TiO2 overgrowth on the Pt surface or deactivation by Pt sintering up to 600 °C. The extraordinarily high stability of the Pt/TiO2 catalyst promoted high reaction rates (2.0 μmol · g(-1) · s(-1)), which was 8 times greater than other catalysts and high isomer selectivity (53.0% of C6 isomers at 440 °C). By the strong metal-support interaction

  16. Development of a routine analysis of 4-mercapto-4-methylpentan-2-one in wine by stable isotope dilution assay and mass tandem spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Dagan, Laurent; Reillon, Florence; Roland, Aurélie; Schneider, Rémi, E-mail: remi@nyseos.fr

    2014-04-01

    Highlights: • We proposed a routine method to analyze the 4-methyl-4-mercaptopentan-2-one in wine. • We developed the first method with sensitivity below the 4MMP perception threshold. • We obtained an accurate method by using the stable isotope dilution assay approach. Abstract: The 4-mercapto-4-methylpentan-2-one (4MMP) is a key aroma compound in wines, especially in Sauvignon Blanc ones. Its accurate quantification is quite difficult due to its traces levels and its reactivity in wine conferred by the thiol function. In this paper, we proposed a new method for its quantification in wine without any sample preparation, based on automated derivatization procedure by methoximation and SIDA–SPME–GC–MS/MS analysis. The derivatization procedure was adapted from a previously published method in order to decrease the amount of reagents and the volume of wine (only 3 mL are required). The use of SPME and the detection conditions have also been optimized to reach the best sensitivity as possible. The method was then validated according to the International Organization of Vine and Wine recommendations and exhibited excellent performances. Indeed, this method allowed us to quantify the 4MMP in wine at traces levels (LOD = 0.19 ng L₅⁻¹) with reproducible results (RSD < 15%) and a very good accuracy (recovery = 102%)

  17. Development of a routine analysis of 4-mercapto-4-methylpentan-2-one in wine by stable isotope dilution assay and mass tandem spectrometry

    International Nuclear Information System (INIS)

    Dagan, Laurent; Reillon, Florence; Roland, Aurélie; Schneider, Rémi

    2014-01-01

    Highlights: • We proposed a routine method to analyze the 4-methyl-4-mercaptopentan-2-one in wine. • We developed the first method with sensitivity below the 4MMP perception threshold. • We obtained an accurate method by using the stable isotope dilution assay approach. - Abstract: The 4-mercapto-4-methylpentan-2-one (4MMP) is a key aroma compound in wines, especially in Sauvignon Blanc ones. Its accurate quantification is quite difficult due to its traces levels and its reactivity in wine conferred by the thiol function. In this paper, we proposed a new method for its quantification in wine without any sample preparation, based on automated derivatization procedure by methoximation and SIDA–SPME–GC–MS/MS analysis. The derivatization procedure was adapted from a previously published method in order to decrease the amount of reagents and the volume of wine (only 3 mL are required). The use of SPME and the detection conditions have also been optimized to reach the best sensitivity as possible. The method was then validated according to the International Organization of Vine and Wine recommendations and exhibited excellent performances. Indeed, this method allowed us to quantify the 4MMP in wine at traces levels (LOD = 0.19 ng L −1 ) with reproducible results (RSD < 15%) and a very good accuracy (recovery = 102%)

  18. Diffusive transport and evaporation to the atmosphere from a NAPL source in the vadose zone

    DEFF Research Database (Denmark)

    Holtegaard, L.E.; Bjerre, T.; Christophersen, Mette

    2002-01-01

    To evaluate the risks concerned with the presence of volatile organic compounds in the unsaturated zone it is important to know how the compounds are transported in the soil. In this project the effective diffusion coefficient of 3-methylpentane, hexane, methyl-cyclopentane, iso-octane and methyl...

  19. Methanogenic biodegradation of paraffinic solvent hydrocarbons in two different oil sands tailings.

    Science.gov (United States)

    Mohamad Shahimin, Mohd Faidz; Siddique, Tariq

    2017-04-01

    Microbial communities drive many biogeochemical processes in oil sands tailings and cause greenhouse gas emissions from tailings ponds. Paraffinic solvent (primarily C 5 -C 6 ; n- and iso-alkanes) is used by some oil sands companies to aid bitumen extraction from oil sands ores. Residues of unrecovered solvent escape to tailings ponds during tailings deposition and sustain microbial metabolism. To investigate biodegradation of hydrocarbons in paraffinic solvent, mature fine tailings (MFT) collected from Albian and CNRL ponds were amended with paraffinic solvent at ~0.1wt% (final concentration: ~1000mgL -1 ) and incubated under methanogenic conditions for ~1600d. Albian and CNRL MFTs exhibited ~400 and ~800d lag phases, respectively after which n-alkanes (n-pentane and n-hexane) in the solvent were preferentially metabolized to methane over iso-alkanes in both MFTs. Among iso-alkanes, only 2-methylpentane was completely biodegraded whereas 2-methylbutane and 3-methylpentane were partially biodegraded probably through cometabolism. 16S rRNA gene pyrosequencing showed dominance of Anaerolineaceae and Methanosaetaceae in Albian MFT and Peptococcaceae and co-domination of "Candidatus Methanoregula" and Methanosaetaceae in CNRL MFT bacterial and archaeal communities, respectively, during active biodegradation of paraffinic solvent. The results are important for developing future strategies for tailings reclamation and management of greenhouse gas emissions. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Excess enthalpies of binary mixtures of 1-hexene with some branched alkanes at the temperature 298.15 K

    International Nuclear Information System (INIS)

    Wang, Zhaohui; Benson, George C.; Lu, Benjamin C.-Y.

    2004-01-01

    Measurements of excess molar enthalpies at the temperature 298.15 K in a flow microcalorimeter are reported for the five binary mixtures formed by mixing 1-hexene with the branched alkanes: 2-methylpentane, 3-methylpentane, 2,2-dimethylbutane, 2,3-dimethylbutane, and 2,2,4-trimethylpentane. Smooth Redlich-Kister representations of the results are described. It was found that the Liebermann-Fried model also provided good representations of the results

  1. A comparative molecular dynamics study of diffusion of n-decane ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. Molecular dynamics simulations are reported on the structure and dynamics of n-decane and. 3-methylpentane in zeolite NaY. We have calculated several properties such as the center of mass-center of mass rdf, the end-end distance distribution, bond angle distribution and dihedral angle distribution. We.

  2. Shock tube measurements of the rate constants for seven large alkanes+OH

    KAUST Repository

    Badra, Jihad

    2015-01-01

    Reaction rate constants for seven large alkanes + hydroxyl (OH) radicals were measured behind reflected shock waves using OH laser absorption. The alkanes, n-hexane, 2-methyl-pentane, 3-methyl-pentane, 2,2-dimethyl-butane, 2,3-dimethyl-butane, 2-methyl-heptane, and 4-methyl-heptane, were selected to investigate the rates of site-specific H-abstraction by OH at secondary and tertiary carbons. Hydroxyl radicals were monitored using narrow-line-width ring-dye laser absorption of the R1(5) transition of the OH spectrum near 306.7 nm. The high sensitivity of the diagnostic enabled the use of low reactant concentrations and pseudo-first-order kinetics. Rate constants were measured at temperatures ranging from 880 K to 1440 K and pressures near 1.5 atm. High-temperature measurements of the rate constants for OH + n-hexane and OH + 2,2-dimethyl-butane are in agreement with earlier studies, and the rate constants of the five other alkanes with OH, we believe, are the first direct measurements at combustion temperatures. Using these measurements and the site-specific H-abstraction measurements of Sivaramakrishnan and Michael (2009) [1,2], general expressions for three secondary and two tertiary abstraction rates were determined as follows (the subscripts indicate the number of carbon atoms bonded to the next-nearest-neighbor carbon): S20=1.58×10-11exp(-1550K/T)cm3molecule-1s-1(887-1327K)S30=2.37×10-11exp(-1850K/T)cm3molecule-1s-1(887-1327K)S21=4.5×10-12exp(-793.7K/T)cm3molecule-1s-1(833-1440K)T100=2.85×10-11exp(-1138.3K/T)cm3molecule-1s-1(878-1375K)T101=7.16×10-12exp(-993K/T)cm3molecule-1s-1(883-1362K) © 2014 The Combustion Institute.

  3. Structures of butyl ions formed by electron impact ionization of isomeric butyl halides and alkanes

    International Nuclear Information System (INIS)

    Shold, D.M.; Ausloos, P.

    1978-01-01

    Using a pulsed ion cyclotron resonance (ICR) spectrometer, it is demonstrated that at pressures of about 10 -6 Torr and at observation times ranging from 10 -3 to 0.5 s, isobutane, neopentane, 2,2-dimethylbutane, isobutyl halides, and tert-butyl halides form C 4 H 9 + ions having the tertiary structure. In n-alkanes, 2-methylbutane, 3-methylpentane, n-butyl halides, and sec-butyl halides, both sec-C 4 H 9 + and t-C 4 H 9 + ions are observed, the sec-C 4 H 9 + ions surviving without rearrangement for at least 0.1 s. However, in the case of the halides, a collision-induced isomerization of the sec-C 4 H 9 + to the t-C 4 H 9 + ions occurs. The efficiency of this process increases with the basicity of the alkyl halide. Radiolysis experiments carried out at atmospheric pressures indicate, in agreement with ICR and solution experiments, that at times as short as 10 -10 s the majority of the i-C 4 H 9 + ions from isobutyl bromide rearrange to the t-C 4 H 9 + structure. On the other hand, in the radiolysis of both n-hexane and 3-methylpentane, the abundance of t-C 4 H 9 + relative to sec-C 4 H 9 + is substantially smaller than that observed in the ICR experiments, and decreases with decreasing collision interval. It is suggested that about 90% of the i-C 4 H 9 + can rearrange to t-C 4 H 9 + by simple 1,2-hydride shift without involving secondary or protonated methylcyclopropane structures as intermediates. 4 figures, 2 tables

  4. Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers

    KAUST Repository

    Wang, Hao; Dong, Xinglong; Lin, Junzhong; Teat, Simon J.; Jensen, Stephanie; Cure, Jeremy; Alexandrov, Eugeny V.; Xia, Qibin; Tan, Kui; Wang, Qining; Olson, David H.; Proserpio, Davide M.; Chabal, Yves J.; Thonhauser, Timo; Sun, Junliang; Han, Yu; Li, Jing

    2018-01-01

    As an alternative technology to energy intensive distillations, adsorptive separation by porous solids offers lower energy cost and higher efficiency. Herein we report a topology-directed design and synthesis of a series of Zr-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, a critical step in the petroleum refining process to produce gasoline with high octane rating. Zr6O4(OH)4(bptc)3 adsorbs a large amount of n-hexane but excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr6O4(OH)8(H2O)4(abtc)2, is capable of discriminating all three C6 isomers and yielding a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is critical for producing gasoline with further improved quality. Multicomponent breakthrough experiments provide a quantitative measure of the capability of these materials for separation of C6 alkane isomers. A detailed structural analysis reveals the unique topology, connectivity and relationship of these compounds.

  5. Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers

    KAUST Repository

    Wang, Hao

    2018-04-25

    As an alternative technology to energy intensive distillations, adsorptive separation by porous solids offers lower energy cost and higher efficiency. Herein we report a topology-directed design and synthesis of a series of Zr-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, a critical step in the petroleum refining process to produce gasoline with high octane rating. Zr6O4(OH)4(bptc)3 adsorbs a large amount of n-hexane but excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr6O4(OH)8(H2O)4(abtc)2, is capable of discriminating all three C6 isomers and yielding a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is critical for producing gasoline with further improved quality. Multicomponent breakthrough experiments provide a quantitative measure of the capability of these materials for separation of C6 alkane isomers. A detailed structural analysis reveals the unique topology, connectivity and relationship of these compounds.

  6. On the formation of C2H5O2+ ions having the structure of hydroxy-protonated acetic acid

    NARCIS (Netherlands)

    Terlouw, J.K.; Koster, C.G. de; Levsen, K.

    1984-01-01

    Experiments are reported which are best explained in terms of the formation of the long-sought hydroxy-protonated acetic acid, CH3C(O)OH2- This C2 H5O2+ species, generated upon dissociative ionization of 2,4-dihydroxy-2-methylpentane (consecutive losses of CH3. and C3H6), is characterized by a

  7. Isothermal (vapour + liquid) equilibrium data for binary systems of (n-hexane + CO2 or CHF3)

    International Nuclear Information System (INIS)

    Williams-Wynn, Mark D.; Naidoo, Paramespri; Ramjugernath, Deresh

    2016-01-01

    Highlights: • (Static-analytic + static-synthetic) phase equilibrium measurements. • Binary VLE data for (CO 2 + n-hexane) and (trifluoromethane + n-hexane). • Thermodynamic models were fitted to the experimental data. • Liquid–liquid immiscibility occurred with (trifluoromethane + n-hexane) system. - Abstract: The (vapour + liquid) equilibrium (VLE) was measured for the (carbon dioxide + n-hexane) binary system at temperatures between T = (303.1 and 323.1) K. In addition, VLE and (vapour + liquid + liquid) equilibria (VLLE) were determined for the (trifluoromethane + n-hexane) binary system at temperatures between T = (272.9 and 313.3) K and pressures in the range of P = (1.0 to 5.7) MPa. Measurements were undertaken in a static-analytic apparatus, with verification of experimental values undertaken using a static-synthetic equilibrium cell to measure bubble point pressures at several compositions. The phase equilibrium results were modelled with the Peng–Robinson equation of state with the Mathias–Copeman alpha function, coupled with the Wong–Sandler mixing rules. Regression of the data was performed with the NRTL and the UNIQUAC activity coefficient models with the Wong–Sandler mixing rules, and the performance of the models was compared. Critical loci for both systems were estimated, using the calculation procedures of Ungerer et al. and Heidemann and Khalil. For the (trifluoromethane + n-hexane) system, liquid–liquid immiscibility was experienced at the lowest temperature measured (T = 272.9 K). At higher temperatures, no immiscibility was visible during the measurements; however, the models continued to predict a miscibility gap.

  8. Syntheses of Enantiopure Aliphatic Secondary Alcohols and Acetates by Bioresolution with Lipase B from Candida antarctica

    Directory of Open Access Journals (Sweden)

    Richele P. Severino

    2012-07-01

    Full Text Available The lipase B from Candida antarctica (Novozym 435®, CALB efficiently catalyzed the kinetic resolution of some aliphatic secondary alcohols: (±-4-methylpentan-2-ol (1, (±-5-methylhexan-2-ol (3, (±-octan-2-ol (4, (±-heptan-3-ol (5 and (±-oct-1-en-3-ol (6. The lipase showed excellent enantioselectivities in the transesterifications of racemic aliphatic secondary alcohols producing the enantiopure alcohols (>99% ee and acetates (>99% ee with good yields. Kinetic resolution of rac-alcohols was successfully achieved with CALB lipase using simple conditions, vinyl acetate as acylating agent, and hexane as non-polar solvent.

  9. Structural and dynamical properties of solvated electrons; a study of kinetic spectroscopy using pulse radiolysis

    International Nuclear Information System (INIS)

    Huis, C. van

    1977-01-01

    In this thesis the pulse radiolysis experiments of hexamethyl-phosphortriamide (HMPA), propanol-1, 3-methylpentane and mixtures of propanol-1 and 3-methylpentane are reported. In the pulse radiolysis of HMPA, carried out at room temperature, the high yield of esub(s) - (G=2) and the very high wavelength of the maximum absorption (max= 2200 nm) in the esub(s) - absorption spectrum are explained by considering the aprotic nature and the molecular structure of this compound. In the experiment with propanol-1 (temperature range 93deg-123degK) a temporal shift to lower wavelengths in the time range of 10 s-10 ms is observed. In further experiments biphenyl was used as electron scavenger. It was concluded that after the electron pulse the following sequence of events takes place: 1) electron redistribution in times shorter than 1 s; 2) dipole reorientation during 10 s-10 ms; 3) recombination of a part of the solvated electrons; 4) a reaction of the solvated electrons with the neighbouring propanol-1 molecules. In the experiments with 3-methylpentane at 103deg-113degK an esub(s) - absorption band with third order decay kinetics was observed. This is attributed to geminate recombination. The activation energy of the recombination process was 0.4 eV. The experiments with mixtures of propanol-1 and 3-methylpentane were carried out at 103degK. At low propanol-1 concentrations the build-up at 500 nm obeys first order kinetics, whereas at high concentrations this build-up can be split up into three first order components, as was measured in pure propanol-1. The half-lives of the three components were in the ratio of 1:10:100. In the last chapter theoretical models for the electron redistribution and the matric relaxation are discussed and compared with the experiments

  10. Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hao [Rutgers Univ., Piscataway, NJ (United States). Department of Chemistry and Chemical Biology; Dong, Xinglong [King Abdullah University of Science and Technology, Thuwal (Saudi Arabia). Advanced Membranes and Porous Materials Center, Physical Sciences and Engineering Division; Lin, Junzhong [Peking University, Beijing (China). College of Chemistry and Molecular Engineering; Teat, Simon J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Jensen, Stephanie [Wake Forest University, Winston-Salem, NC (United States). Department of Physics; Cure, Jeremy [Univ. of Texas-Dallas, Richardson, TX (United States). Department of Materials Science & Engineering; Alexandrov, Eugeny V. [Samara University (Russia). Samara Center for Theoretical Materials Science (SCTMS; Xia, Qibin [Rutgers Univ., Piscataway, NJ (United States). Department of Chemistry and Chemical Biology; South China University of Technology, Guangzhou (China). School of Chemistry and Chemical Engineering; Tan, Kui [Univ. of Texas-Dallas, Richardson, TX (United States). Department of Materials Science & Engineering; Wang, Qining [Rutgers Univ., Piscataway, NJ (United States). Department of Chemistry and Chemical Biology; Olson, David H. [Rutgers Univ., Piscataway, NJ (United States). Department of Chemistry and Chemical Biology; Proserpio, Davide M. [Samara University (Russia). Samara Center for Theoretical Materials Science (SCTMS; Università degli Studi di Milano, Milano (Italy). Dipartimento di Chimica; Chabal, Yves J. [Univ. of Texas-Dallas, Richardson, TX (United States). Department of Materials Science & Engineering; Thonhauser, Timo [Wake Forest University, Winston-Salem, NC (United States). Department of Physics; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Department of Chemistry; Sun, Junliang [Peking University, Beijing (China). College of Chemistry and Molecular Engineering; Han, Yu [King Abdullah University of Science and Technology, Thuwal (Saudi Arabia). Advanced Membranes and Porous Materials Center, Physical Sciences and Engineering Division; Li, Jing [Rutgers Univ., Piscataway, NJ (United States). Department of Chemistry and Chemical Biology

    2018-05-01

    As an alternative technology to energy intensive distillations, adsorptive separation by porous solids offers lower energy cost and higher efficiency. Herein we report a topology-directed design and synthesis of a series of Zr-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, a critical step in the petroleum refining process to produce gasoline with high octane rating. Zr6O4(OH)4(bptc)3 adsorbs a large amount of n-hexane but excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr6O4(OH)8(H2O)4(abtc)2, is capable of discriminating all three C6 isomers and yielding a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is critical for producing gasoline with further improved quality. Multicomponent breakthrough experiments provide a quantitative measure of the capability of these materials for separation of C6 alkane isomers. A detailed structural analysis reveals the unique topology, connectivity and relationship of these compounds.

  11. Thermal desorption studies of heterogeneous catalytic reactions--3. The stepwise mechanism of n-hexane dehydrocyclization (to benzene) over a Pt/Al/sub 2/O/sub 3/ catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Rozanov, V V; Sklyarov, A V

    1978-12-01

    The interactions of n-hexane, benzene, and the possible intermediates of n-hexane dehydrocyclization by different mechanisms with a 0.68Vertical Bar3< Pt/..gamma..-Al/sub 2/O/sub 3/ catalyst and over pure ..gamma..-Al/sub 2/O/sub 3/ were studied by recording thermal desorption (TD) spectra of these compounds. The kinetic parameters, calculated from the TD data, for benzene formation from n-hexane, 1-hexene and 1,5-hexadiene coincided, suggesting a common reaction route involving these three species. TD spectra of methylcyclopentane indicated that this compound is not an important intermediate in n-hexane dehydrocyclization. These findings suggested that the process starts by two-step dehydrogenation of n-hexane to 1-hexene and 1,5-hexadiene and is followed by a rate-limiting step of hexadiene conversion. Formation of cyclohexadiene, the immediate precursor of benzene, occurs either by direct cyclization of hexadiene or via cyclohexene or hexatriene intermediates, but these routes are alternative rather than competing under the conditions studied.

  12. Crystal structure of mer-tris{2,6-difluoro-3-[5-(2-fluorophenylpyridin-2-yl-κN]pyridin-4-yl-κC4}iridium(III dichloromethane hemisolvate n-hexane hemisolvate

    Directory of Open Access Journals (Sweden)

    Youngjin Kang

    2017-12-01

    Full Text Available The asymmetric unit of the title compound, [Ir(C17H11F2N23]·0.5CH3(CH24CH3·0.5CH2Cl2, comprises one IrIII atom, three 2,6-difluoro-3-[5-(2-fluorophenylpyridin-2-yl]pyridin-4-yl ligands and half each of an n-hexane and a dichloromethane solvent molecule located about crystallographic inversion centres. The IrIII atom displays a distorted octahedral coordination geometry, having three C,N-chelating 2,6-difluoro-3-[5-(2-fluorophenylpyridin-2-yl]pyridin-4-yl ligands arranged in a meridional manner. The IrIII ion lies almost in the equatorial plane [deviation = 0.0069 (15 Å]. The average distance [2.041 (3 Å] of Ir—C bonds is slightly shorter than that [2.076 (3 Å] of Ir—N bonds. A variety of intra- and intermolecular C—H...F and C—H...π hydrogen bonds, as well as intermolecular C—F...π interactions, contribute to the stabilization of the molecular and crystal structures, and result in the formation of a two-dimensional network parallel to the ab plane. No interactions between n-hexane solvent molecules and the other components in the title compound are observed.

  13. Transients observed in the low temperature photolysis of alkyl radicals and divalent sulfur substrates

    International Nuclear Information System (INIS)

    Adam, F.C.

    1976-01-01

    The 253.7 nm photolysis of the isometric butyl radicals is described. These radicals are produced by electron capture during the γ-radiolysis of the corresponding butyl chlorides diluted in a rigid glass of 3-methylpentane-d14 at 77K. Thus t-butyl gives an equilibrium mixture of i-butyl and methyl radicals. Solvent radicals, M, are also produced and these obscure the former species in 3-MP-h14. Likewise sec-butyl radicals give rise to the ethyl, n-butyl, methyl and small amounts of the i-butyl radicals. Solvent radicals also rearrange and degrade in the photolytic beam, and the mechanism by which these processes occur is discussed. The procedure has also been used to study the formation and photolability of the alkyl thinyl and perthyl radicals occuring in the photolysis of RSH, RSR and RSSR. The thinyl radical is found to be unstable and gives the alkyl radical and atomic sulfur while the perthiyl radical is stable to radiation > 240 nm. (author)

  14. Metabolic interaction between toluene, trichloroethylene and n-hexane in humans

    DEFF Research Database (Denmark)

    Bælum, Jesper; Mølhave, Lars; Hansen, Steen Honoré

    1998-01-01

    OBJECTIVES: This human experimental study describes the mutual metabolic interaction between toluene, trichloroethylene, and n-hexane. METHODS: Eight healthy male volunteers were exposed to combinations of toluene (1.5 or 4 mg/min), trichloroethylene (1.5 or 4 mg/min), and n-hexane (0.3 or 1.0 mg......: When the low dose rates were combined, the end exhaled concentrations were at or below the detection limit, while an increase in the dose rate of toluene increased the area under the end exhaled air concentration curve (AUC) of toluene, trichloroethylene, and n-hexane by factors of 44 (16......-117) [geometric mean and 95% confidence interval], 12.8 (4.1-40.0), and 2.2 (1.2-4.1), respectively. Trichloroethylene, in turn, increased the AUC 5.0 (1.9-13.4), 25.8 (8.2-80.8) and 2.9 (1.6-5.4), respectively, whereas the corresponding values for n-hexane were 1.9 (0.7-5.1), 1.5 (0.5-4.6), and 3.2 (1...

  15. The Effect of Solvent Environment on Molecular Electronic Transition Moment Directions

    DEFF Research Database (Denmark)

    Langkilde, F. W.; Thulstrup, E. W.; Michl, J.

    1983-01-01

    Measurements of polarized fluorescence and phosphorescence of pyrene, 2‐fluoropyrene, and 2‐methylpyrene in 3methylpentane glass at 77 K reveal significant differences among the three molecules. These are interpreted in terms of solvent‐induced mixing of the Lb and La states. It is proposed that...

  16. Metabolism of the insecticidally active GABAA receptor antagonist 4-sec-[3,4-3H2]butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo[2.2.2]octane

    International Nuclear Information System (INIS)

    Deng, Yanli; Palmer, C.J.; Toia, R.F.; Casida, J.E.

    1990-01-01

    4-sec-[3,4- 3 H 2 ]Butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo[2.2.2]octane (referred to as [ 3 H]COB) was examined as an example of a new class of insecticidally active compounds that block the γ-aminobutyric acid gated chloride channel. Metabolites were identified by thin-layer cochromatography with standards from synthesis and by consideration of their hydrolytic and oxidative degradation products formed in situ on two-dimensional silica gel chromatoplates. Metabolism of [ 3 H]COB by mouse liver and housefly abdomen microsomes is dependent on fortification with NADPH. The O-methylene and sec-butyl sites are sensitive to oxidation. Each carbon of the sec-butyl group is individually functionalized with strong preference for the methylene site in the mouse but not the housefly microsomal system. O-Methylene hydroxylation initiates spontaneous cage opening to form an aldehyde that undergoes metabolic reduction, ultimately yielding the same cyanobenzoate ester of 2,2-bis-(hydroxymethyl)-3-methylpentan-1-ol formed by direct hydrolysis. Houseflies injected with [ 3 H]COB form many if not all of the same metabolites, with major products being the aforementioned cyanobenzoate, the orthoester oxidized at the sec-butyl methylene site, and polar conjugates

  17. Supercritical SC-CO2 and Soxhlet n-Hexane Extract of Tunisian Opuntia ficus indica Seeds and Fatty Acids Analysis

    Directory of Open Access Journals (Sweden)

    Nizar Yeddes

    2012-01-01

    Full Text Available The fatty acids profiles of Tunisian Opuntia ficus indica seeds (spiny and thornless form were investigated. Results of supercritical carbon dioxide (SC-CO2 and soxhlet n-hexane extract were compared. Quantitatively, the better yield was obtained through soxhlet n-hexane: 10.32% (spiny and 8.91% (thornless against 3.4% (spiny and 1.94% (thornless by SC-CO2 extract (T = 40°C, P=180 bar, time = 135 mn, CO2 flow rate = 15 mL·s−1. Qualitatively, the main fatty acids components were the same for the two types of extraction. Linoleic acid was the major compound, SC-CO2: 57.60% (spiny, 59.98% (thornless, soxhlet n-hexane: 57.54% (spiny, 60.66% (thornless, followed by oleic acid, SC-CO2: 22.31% (spiny, 22.40% (thornless, soxhlet n-hexane: 25.28% (spiny, 20.58% (thornless and palmitic acid, SC-CO2: 14.3% (spiny, 12.92% (thornless, soxhlet n-hexane: 11.33% (spiny, 13.08% (thornless. The SC-CO2 profiles fatty acids showed a richness with other minority compounds such as C20:1, C20:2, and C22.The seeds oil was highly unsaturated (US = 4.44–5.25, and the rising temperatures donot affect the selectivity of fatty acids extract by SC-CO2: US = 4.44 (T = 40°C and 4.13 (T = 70°C.

  18. Supercritical SC-CO2 and Soxhlet n-Hexane Extract of Tunisian Opuntia ficus indica Seeds and Fatty Acids Analysis

    Science.gov (United States)

    Yeddes, Nizar; Chérif, Jamila Kalthoum; Jrad, Amel; Barth, Danielle; Trabelsi-Ayadi, Malika

    2012-01-01

    The fatty acids profiles of Tunisian Opuntia ficus indica seeds (spiny and thornless form) were investigated. Results of supercritical carbon dioxide (SC-CO2) and soxhlet n-hexane extract were compared. Quantitatively, the better yield was obtained through soxhlet n-hexane: 10.32% (spiny) and 8.91% (thornless) against 3.4% (spiny) and 1.94% (thornless) by SC-CO2 extract (T = 40°C, P = 180 bar, time = 135 mn, CO2 flow rate = 15 mL·s−1). Qualitatively, the main fatty acids components were the same for the two types of extraction. Linoleic acid was the major compound, SC-CO2: 57.60% (spiny), 59.98% (thornless), soxhlet n-hexane: 57.54% (spiny), 60.66% (thornless), followed by oleic acid, SC-CO2: 22.31% (spiny), 22.40% (thornless), soxhlet n-hexane: 25.28% (spiny), 20.58% (thornless) and palmitic acid, SC-CO2: 14.3% (spiny), 12.92% (thornless), soxhlet n-hexane: 11.33% (spiny), 13.08% (thornless). The SC-CO2 profiles fatty acids showed a richness with other minority compounds such as C20:1, C20:2, and C22.The seeds oil was highly unsaturated (US = 4.44–5.25), and the rising temperatures donot affect the selectivity of fatty acids extract by SC-CO2: US = 4.44 (T = 40°C) and 4.13 (T = 70°C). PMID:22754699

  19. Supercritical SC-CO(2) and Soxhlet n-Hexane Extract of Tunisian Opuntia ficus indica Seeds and Fatty Acids Analysis.

    Science.gov (United States)

    Yeddes, Nizar; Chérif, Jamila Kalthoum; Jrad, Amel; Barth, Danielle; Trabelsi-Ayadi, Malika

    2012-01-01

    The fatty acids profiles of Tunisian Opuntia ficus indica seeds (spiny and thornless form) were investigated. Results of supercritical carbon dioxide (SC-CO(2)) and soxhlet n-hexane extract were compared. Quantitatively, the better yield was obtained through soxhlet n-hexane: 10.32% (spiny) and 8.91% (thornless) against 3.4% (spiny) and 1.94% (thornless) by SC-CO(2) extract (T = 40°C, P = 180 bar, time = 135 mn, CO(2) flow rate = 15 mL·s(-1)). Qualitatively, the main fatty acids components were the same for the two types of extraction. Linoleic acid was the major compound, SC-CO(2): 57.60% (spiny), 59.98% (thornless), soxhlet n-hexane: 57.54% (spiny), 60.66% (thornless), followed by oleic acid, SC-CO(2): 22.31% (spiny), 22.40% (thornless), soxhlet n-hexane: 25.28% (spiny), 20.58% (thornless) and palmitic acid, SC-CO(2): 14.3% (spiny), 12.92% (thornless), soxhlet n-hexane: 11.33% (spiny), 13.08% (thornless). The SC-CO(2) profiles fatty acids showed a richness with other minority compounds such as C(20:1), C(20:2), and C(22).The seeds oil was highly unsaturated (US = 4.44-5.25), and the rising temperatures donot affect the selectivity of fatty acids extract by SC-CO2: US = 4.44 (T = 40°C) and 4.13 (T = 70°C).

  20. Treatment of Benzene and n-Hexane Mixtures in Trickle-Bed Air Biofilters.

    Science.gov (United States)

    Hassan, Ashraf Aly; Sorial, George A

    2011-02-01

    Trickle-bed air biofilters (TBABs) are suitable for treatment of hydrophilic volatile organic compounds, but they pose a challenge for hydrophobic compounds. Three laboratory-scale TBABs were used for the treatment of an airstream contaminated with different ratios of n-hexane and benzene mixtures. The ratios studied were 1:1, 2:1, and 1:3 n-hexane:benzene by volume. Each TBAB was operated at a pH of 4 and a temperature of 20 °C. The use of acidic-buffered nutrient solution was targeted for changing the microorganism consortium to fungi as the main biodegradation element. The experimental plan was designed to investigate the long-term performance of the TBABs with an emphasis on different mixture loading rates, removal efficiency with TBAB depth, volatile suspended solids, and carbon mass balance closure. n-Hexane loading rate was kept constant in the TBABs for comparison reasons and ranged from 4 to 22 g/(m 3 .hr). Corresponding benzene loadings ranged from 4 to 43 g/(m 3 .hr). Generally, benzene behavior in the TBAB was superior to that of n-hexane because of its higher solubility. n-Hexane showed improved performance in the 2:1 mixing ratio as compared with the other two ratios. [Box: see text].

  1. Metabolomics study of Saw palmetto extracts based on 1H NMR spectroscopy.

    Science.gov (United States)

    de Combarieu, Eric; Martinelli, Ernesto Marco; Pace, Roberto; Sardone, Nicola

    2015-04-01

    Preparations containing Saw palmetto extracts are used in traditional medicine to treat benign prostatic hyperplasia. According to the European and the American Pharmacopoeias, the extract is obtained from comminuted Saw palmetto berries by a suitable extracting procedure using ethanol or supercritical carbon dioxide or a mixture of n-hexane and methylpentanes. In the present study an approach to metabolomics profiling using nuclear magnetic resonance (NMR) has been used as a finger-printing tool to assess the overall composition of the extracts. The phytochemical analysis coupled with principal component analysis (PCA) showed the same composition of the Saw palmetto extracts obtained with carbon dioxide and hexane with minor not significant differences for extracts obtained with ethanol. In fact these differences are anyhow lower than the batch-to-batch variability ascribable to the natural-occurring variability in the Saw palmetto fruits' phytochemical composition. The fingerprinting analysis combined with chemometric method, is a technique, which would provide a tool to comprehensively assess the quality control of Saw palmetto extracts. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Effects of anionic surfactant on n-hexane removal in biofilters.

    Science.gov (United States)

    Cheng, Yan; He, Huijun; Yang, Chunping; Yan, Zhou; Zeng, Guangming; Qian, Hui

    2016-05-01

    The biodegradability of three anion surfactants by biofilm microorganisms and the toxicity of the most readily biodegradable surfactant to biofilm microorganisms were examined using batch experiments, and the optimal concentration of SDS for enhanced removal of hexane was investigated using two biotrickling filters (BTFs) for comparison. Results showed that SDS could be biodegraded by microorganisms, and its toxicity to microorganisms within the experimental range was negligible. The best concentration of SDS in biofiltration of n-hexane was 0.1 CMC and the elimination capacity (EC) of 50.4 g m(-3) h(-1) was achieved at a fixed loading rate (LR) of 72 g m(-3) h(-1). When an inlet concentration of n-hexane increased from 600 to 850 mg m(-3), the removal efficiency (RE) decreased from 67% to 41% by BTF2 (with SDS) and from 52% to 42% by BTF1 (without SDS). SDS could enhance hexane removal from 43% (BTF1) to 60% (BTF2) at gas empty-bed residence time (EBRT) of 7.5 s and an inlet concentration of 200 mg m(-3). Copyright © 2016. Published by Elsevier Ltd.

  3. Metabolism of the insecticidally active GABA sub A receptor antagonist 4-sec-(3,4- sup 3 H sub 2 )butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo(2. 2. 2)octane

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Yanli; Palmer, C.J.; Toia, R.F.; Casida, J.E. (Univ. of California, Berkeley (USA))

    1990-03-01

    4-sec-(3,4-{sup 3}H{sub 2})Butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo(2.2.2)octane (referred to as ({sup 3}H)COB) was examined as an example of a new class of insecticidally active compounds that block the {gamma}-aminobutyric acid gated chloride channel. Metabolites were identified by thin-layer cochromatography with standards from synthesis and by consideration of their hydrolytic and oxidative degradation products formed in situ on two-dimensional silica gel chromatoplates. Metabolism of ({sup 3}H)COB by mouse liver and housefly abdomen microsomes is dependent on fortification with NADPH. The O-methylene and sec-butyl sites are sensitive to oxidation. Each carbon of the sec-butyl group is individually functionalized with strong preference for the methylene site in the mouse but not the housefly microsomal system. O-Methylene hydroxylation initiates spontaneous cage opening to form an aldehyde that undergoes metabolic reduction, ultimately yielding the same cyanobenzoate ester of 2,2-bis-(hydroxymethyl)-3-methylpentan-1-ol formed by direct hydrolysis. Houseflies injected with ({sup 3}H)COB form many if not all of the same metabolites, with major products being the aforementioned cyanobenzoate, the orthoester oxidized at the sec-butyl methylene site, and polar conjugates.

  4. Quantitative determination of sulfur containing wine odorants at sub-ppb levels. 1. Synthesis of the deuterated analogues.

    Science.gov (United States)

    Kotseridis, Y; Ray, J L; Augier, C; Baumes, R

    2000-12-01

    [2H10]-4-Sulfanyl-4-methylpentan-2-one (d10-SMP), [2H2]-3-sulfanylhexan-1-ol (d2-3SH), and [2H5]-3-sulfanylhexyl acetate (d5-3SHAc), the labeled analogues of impact odorants of wines and other foods, were synthesized to be used for the quantitative determination of the natural compounds in white and red wines by stable isotope dilution assay. The sulfidation was achieved by Michael addition, on mesityl oxide or ethyl hex-2-enoate, respectively, of the sulfhydryl anion generated in situ from triphenylsilanethiol and potassium fluoride under phase transfer conditions. The labeling of 4-sulfanyl-4-methylpentan-2-one (SMP) was obtained from the commercial starting material, [2H6]acetone, so that this method could be used to synthesize 13C-labeled SMP from 13C-labeled acetone. The labeling of 3-sulfanylhexan-1-ol (3SH) and 3-sulfanylhexyl acetate (3SHAc) was obtained from reduction with lithium aluminum deuteride of the Michael adduct ethyl 3-sulfanylhexanoate and [2H3]-acetylation. During the synthesis, 3SH and 3SHAc were partially oxidized to their disulfide, which were reduced back to the thiols by an additional reduction step; the tertiary thiol SMP was less sensitive to this oxidation.

  5. Radiation effects on n-hexane-urea inclusion compound

    International Nuclear Information System (INIS)

    Ohta, Nobuaki; Ozasa, Senichi; Ichikawa, Takahisa

    1987-01-01

    n-hexane-urea inclusion compounds were γ-irradiated at room temperature and dimers from n-hexane were found to form. Additive effects of 1-hexene, 1-chloropentane, and n-hexylamine to the formation of the dimers have been studied. For the comparison liquid n-hexane systems were also γ-irradiated under the same conditions. The radiation-induced reactions in the inclusion compounds are discussed together with the reactions in the liquid n-hexane systems. The dimers from n-hexane in the inclusion compounds are presumably formed by dimerization of hexyl radicals; the hexyl radicals are possibly produced by hydrogen abstraction of hydrogen atom and/or urea radicals from n-hexane included in urea. (author)

  6. Process for paraffin isomerization of a distillate range hydrocarbon feedstock

    Energy Technology Data Exchange (ETDEWEB)

    Chen, N.Y.; Garwood, W.E.; McCullen, S.B.

    1993-01-19

    Various catalytic processes have been proposed to isomerize n-paraffins so as to lower the pour point of distillate range hydrocarbon feedstocks. However, many available feedstocks contain nitrogen impurities which tend to poison conventional paraffin isomerization catalysts. A process has been developed to obviate or alleviate this problem. According to the invention, the paraffin-containing feedstock is contacted with a crystalline aluminosilicate zeolite catalyst having pore openings defined by a ratio of sorption of n-hexane to o-xylene of over 3 vol % and the ability to crack 3-methylpentane in preference to 2,3 dimethylbutane under defined conditions. The zeolite catalyst includes a Group VIII metal and has a zeolite SiO[sub 2]/Al[sub 2]O[sub 3] ratio of at least 20:1. The contacting is carried out at 199-454 C and a pressure of 100-1,000 psig, preferably 250-600 psig. The group of medium pore zeolites which can be used in the process of the invention includes ZSM-22, ZSM-23, and ZSM-35. The Group VIII metals used in the catalyst are preferably selected from Pt, Pd, Ir, Os, Rh, and Ru and the metal is preferably incorporated into the zeolite by ion exchange up to a metal content of preferably 0.1-3 wt %. Experiments are described to illustrate the invention. 1 tab.

  7. Supercritical SC-CO2 and Soxhlet n-Hexane Extract of Tunisian Opuntia ficus indica Seeds and Fatty Acids Analysis

    OpenAIRE

    Nizar Yeddes; Jamila Kalthoum Chérif; Amel Jrad; Danielle Barth; Malika Trabelsi-Ayadi

    2012-01-01

    The fatty acids profiles of Tunisian Opuntia ficus indica seeds (spiny and thornless form) were investigated. Results of supercritical carbon dioxide (SC-CO2) and soxhlet n-hexane extract were compared. Quantitatively, the better yield was obtained through soxhlet n-hexane: 10.32% (spiny) and 8.91% (thornless) against 3.4% (spiny) and 1.94% (thornless) by SC-CO2 extract (T = 40°C, P=180 bar, time = 135 mn, CO2 flow rate = 15 mL·s−1). Qualitatively, the main fatty acids components were the sam...

  8. Normalized fluctuations, H2O vs n-hexane: Site-correlated percolation

    Science.gov (United States)

    Koga, Yoshikata; Westh, Peter; Sawamura, Seiji; Taniguchi, Yoshihiro

    1996-08-01

    Entropy, volume and the cross fluctuations were normalized to the average volume of a coarse grain with a fixed number of molecules, within which the local and instantaneous value of interest is evaluated. Comparisons were made between liquid H2O and n-hexane in the range from -10 °C to 120 °C and from 0.1 MPa to 500 MPa. The difference between H2O and n-hexane in temperature and pressure dependencies of these normalized fluctuations was explained in terms of the site-correlated percolation theory for H2O. In particular, the temperature increase was confirmed to reduce the hydrogen bond probability, while the pressure appeared to have little effect on the hydrogen bond probability. According to the Le Chatelier principle, however, the putative formation of ``ice-like'' patches at low temperatures due to the site-correlated percolation requirement is retarded by pressure increases. Thus, only in the limited region of low pressure (<300 MPa) and temperature (<60 °C), the fluctuating ice-like patches are considered to persist.

  9. N,N'-(Hexane-1,6-diylbis(4-methyl-N-(oxiran-2-ylmethylbenzenesulfonamide: Synthesis via cyclodextrin mediated N-alkylation in aqueous solution and further Prilezhaev epoxidation

    Directory of Open Access Journals (Sweden)

    Julian Fischer

    2013-12-01

    Full Text Available N-alkylation of N,N'-(hexane-1,6-diylbis(4-methylbenzenesulfonamide with allyl bromide and subsequent Prilezhaev reaction with m-chloroperbenzoic acid to give N,N'-(hexane-1,6-diylbis(4-methyl-N-(oxiran-2-ylmethylbenzenesulfonamide is described. This twofold alkylation was performed in aqueous solution, whereby α-, and randomly methylated β-cyclodextrin were used as adequate phase transfer catalysts and the cyclodextrin–guest complexes were characterized by 1H NMR and 2D NMR ROESY spectroscopy. Finally, the curing properties of the diepoxide with lysine-based α-amino-ε-caprolactam were analyzed by rheological measurements.

  10. Liquid-Liquid Equilibrium and Excess Enthalpies in the Binary System 2-Methylpentane + N,N-Dimethylformamide

    Czech Academy of Sciences Publication Activity Database

    Bendová, Magdalena; Řehák, K.; Matouš, J.; Novák, J. P.

    2004-01-01

    Roč. 49, č. 5 (2004), s. 1318-1322 ISSN 0021-9568 Institutional research plan: CEZ:AV0Z4072921 Keywords : liquid-liquid equilibrium * excess enthalpies * thermodynamic models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.368, year: 2004

  11. Urinary 2,5-hexanedione in workers exposed to n-hexane: influence of the sample treatment

    Directory of Open Access Journals (Sweden)

    Daniela Magalhães Nolasco

    2007-08-01

    Full Text Available The aim of the present study was to determine 2,5-hexanedione (2,5-HD, a metabolite of n-hexane, by gas chromatography/flame ionization detection in 31 workers exposed to n-hexane after two types of sample pretreatment, i.e., with (total 2,5-HD and without (free 2,5-HD acid hydrolysis. The mean urinary 2,5-HD was 0.52 mg/L (free and 2.88 mg/L (total, this difference being significant (Student t-test, p < 0.05. The differences in the results according to the sample treatment support the need to modify the current Brazilian legislation, which proposes the analysis of 2,5-HD without indicating whether it is the free or total metabolite.

  12. Metabolic interaction between n-hexane and toluene in vivo and in vitro

    Energy Technology Data Exchange (ETDEWEB)

    Perbellini, L.; Brugnone, F.; Leone, R.; Fracasso, M.E.; Venturini, M.S.

    1982-01-01

    Metabolic interference between n-hexane and toluene was studied both in vivo and in vitro. In in vivo experiments the urinary excretion of n-hexane and toluene metabolites was tested in rats treated with the two solvents separately or in combination. The same experimental program was repeated in rats pretreated with phenobarbital (PB). The urinary excretion of n-hexane metabolites in rats treated with the two solvents showed a significantly decreased excretion of all n-hexane metabolites in comparison with those treated with n-hexane alone. In rats pretreated with PB the excretion of n-hexane metabolites was significantly higher compared with that of unpretreated rats; the combined administration of the two solvents showed in this case, too, that n-hexane metabolite excretion was less than that found in rats treated with n-hexane alone. The biotransformation of toluene to o-cresol and hippuric acid studied in the urine of rats treated with or without n-hexane and pretreated or not with PB did not show any difference. The in vitro metabolic interference was studied by measuring the disappearance of solvents from rat's incubated liver microsomes. The inhibition constant of toluene on n-hexane biotransformation was 7.5 ..mu..M and that of n-hexane on toluene was 30 ..mu..M. The data show that a mutual non-competitive interference exists in vitro between n-hexane and toluene. The interference of toluene on n-hexane biotransformation was detectable also in vivo experiments, while n-hexane did not modify the biotransformation of toluene.

  13. Effect of Pressure on Absorption Spectra of Lycopene in n-Hexane and CS2 Solvents

    Science.gov (United States)

    Zhang, Wei; Liu, Wei-Long; Zheng, Zhi-Ren; Huo, Ming-Ming; Li, Ai-Hua; Yang, Bin

    2010-01-01

    The absorption spectra of lycopene in n-hexane and CS2 are measured under high pressure and the results are compared with β-carotene. In the lower pressure range, the deviation from the linear dependence on the Bayliss parameter (BP) for β-carotene is more visible than that for lycopene. With the further increase of the solvent BP, the 0-0 bands of lycopene and β-carotene red shift at almost the same rate in n-hexane; however, the 0-0 band of lycopene red shifts slower than that of β-carotene in CS2. The origins of these diversities are discussed taking into account the dispersion interactions and structures of solute and solvent molecules.

  14. Effect of Pressure on Absorption Spectra of Lycopene in n-Hexane and CS2 Solvents

    International Nuclear Information System (INIS)

    Wei, Zhang; Wei-Long, Liu; Zhi-Ren, Zheng; Ming-Ming, Huo; Ai-Hua, Li; Bin, Yang

    2010-01-01

    The absorption spectra of lycopene in n-hexane and CS 2 are measured under high pressure and the results are compared with β-carotene. In the lower pressure range, the deviation from the linear dependence on the Bayliss parameter (BP) for β-carotene is more visible than that for lycopene. With the further increase of the solvent BP, the 0–0 bands of lycopene and β-carotene red shift at almost the same rate in n-hexane; however, the 0–0 band of lycopene red shifts slower than that of β-carotene in CS 2 . The origins of these diversities are discussed taking into account the dispersion interactions and structures of solute and solvent molecules. (atomic and molecular physics)

  15. (1R,2R,3R,4R,5S-2,3-Bis[(2S′-2-acetoxy-2-phenylacetoxy]-4-azido-1-[(2,4-dinitrophenylhydrazonomethyl]bicyclo[3.1.0]hexane

    Directory of Open Access Journals (Sweden)

    Robert McDonald

    2008-02-01

    Full Text Available In the title compound, C38H29N7O12, the five-membered ring adopts an envelope conformation in which the `flap' is cis to the cyclopropane group. This conformation is similar to those of other bicyclo[3.1.0]hexane analogues for which crystal structures have been reported. The absolute configuration of the stereogenic centers on the cyclopentane ring, as determined by comparison with the known configurations of the stereogenic centers in the (2S-2-acetoxy-2-phenylacetoxy groups, is 1(R, 2(R, 3(R, 4(R and 5(S. An intramolecular N—H...O hydrogen bond is present.

  16. Effect of temperature and pressure on excess electron mobility in n-hexane, 2,2,4-trimethylpentane, and tetramethylsilane

    International Nuclear Information System (INIS)

    Munoz, R.C.; Holroyd, R.A.

    1986-01-01

    Measurements of excess electron mobility are reported for liquid n-hexane, 2,2,4-trimethylpentane, and tetramethylsilane for pressures from 1 to 2500 bar and for temperatures from 18 to 120 0 C. For tetramethylsilane, a liquid that exhibits a high electron mobility, the mobility at constant density is proportional to T/sup -0.9/ between 25 and 100 0 C. The results are compared with the Basak--Cohen deformation potential theory. For n-hexane, where the mobility is low, Arrhenius behavior is observed. The isochoric activation energy increases with density. The results in this case are consistent with both the two-state and hopping models. In 2,2,4-trimethylpentane the mobility increases with increasing pressure at room temperature and decreases at high temperature. At 2500 bar and at intermediate temperatures (70--80 0 C) the mobility is approximately constant

  17. Wavelength-selective bleaching of the optical spectra of trapped electrons in organic glasses. II

    International Nuclear Information System (INIS)

    Paraszczak, J.; Willard, J.E.

    1979-01-01

    Further resolution of the inhomogeneous optical spectra of trapped electrons (e - /sub t/) in organic glasses has been obtained from wavelength selective bleaching and thermal decay studies on 3-methylpentane-d 14 (3MP-d 14 ) and 2-methyltetrahydrofuran (MTHF) following γ irradiation in the temperature region of 20 K, and limits on the degree of resolution achievable have been indicated. Exposure of 3MP-d 14 to light of wavelengths >2100 nm (from a tunable laser) reduces the optical densities at the bleaching wavelength and longer to zero, while ''peeling off'' a portion of the O.D. at all shorter wavelengths but leaving the remainder of the spectrum unaffected. The fraction of the integrated optical spectrum, ∫OD d (eV), removed by bleaching at each wavelength tested, and also by thermal decay, is equivalent to the fraction of the total e - /sub t/ spins removed and measured by ESR. 1064 nm light bleaches the spectrum nearly uniformly, confirming that the spectra of all of the e - /sub t/ have blue tails with similar ease of bleaching. Heretofore unobserved low temperature thermal decay of e - /sub t/ occurs at 20 and 40 K (20% of the spin concentration in 30 min, 35% in 3h). The rate of decay of the optical spectrum decreases with decreasing wavelength of observation (2.5, 2.2, 1.8, and 1.5 μ), but at each wavelength is the same at 40 K as at 20 K, consistent

  18. Metabolic interaction between toluene, trichloroethylene and n-hexane in humans

    DEFF Research Database (Denmark)

    Bælum, Jesper; Mølhave, Lars; Hansen, S H

    1998-01-01

    This human experimental study describes the mutual metabolic interaction between toluene, trichloroethylene, and n-hexane.......This human experimental study describes the mutual metabolic interaction between toluene, trichloroethylene, and n-hexane....

  19. Absorption and recovery of n-hexane in aqueous solutions of fluorocarbon surfactants.

    Science.gov (United States)

    Xiao, Xiao; Yan, Bo; Fu, Jiamo; Xiao, Xianming

    2015-11-01

    n-Hexane is widely used in industrial production as an organic solvent. As an industrial exhaust gas, the contribution of n-hexane to air pollution and damage to human health are attracting increasing attention. In the present study, aqueous solutions of two fluorocarbon surfactants (FSN100 and FSO100) were investigated for their properties of solubilization and dynamic absorption of n-hexane, as well as their capacity for regeneration and n-hexane recovery by thermal distillation. The results show that the two fluorocarbon surfactants enhance dissolution and absorption of n-hexane, and their effectiveness is closely related to their concentrations in solution. For low concentration solutions (0.01%-0.30%), the partition coefficient decreases dramatically and the saturation capacity increases significantly with increasing concentration, but the changes for both are more modest when the concentration is over 0.30%. The FSO100 solution presents a smaller partition coefficient and a greater saturation capacity than the FSN100 solution at the same concentration, indicating a stronger solubilization for n-hexane. Thermal distillation is a feasible method to recover n-hexane from these absorption solutions, and to regenerate them. With 90sec heating at 80-85°C, the recovery of n-hexane ranges between 81% and 85%, and the regenerated absorption solution maintains its original performance during reuse. This study provides basic information on two fluorocarbon surfactants for application in the treatment of industrial n-hexane waste gases. Copyright © 2015. Published by Elsevier B.V.

  20. Liquid–Liquid Equilibrium in Ternary Systems N,N-dimethylformamide + 2-methylpentane + Methanol and N,N-dimethylformamide + Methylcyclohexane + Methanol

    Czech Academy of Sciences Publication Activity Database

    Bendová, Magdalena; Řehák, K.; Matouš, J.; Novák, J.P.

    2006-01-01

    Roč. 239, č. 1 (2006), s. 16-25 ISSN 0378-3812 Institutional research plan: CEZ:AV0Z40720504 Keywords : liquid-liquid equilibrium * critical curves * regular solution model Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.680, year: 2006

  1. Mass transfer and adsorption equilibrium study in MFI zeolites: application to the separation of mono and di-branched hydrocarbons in silicalite; Etude et modelisation de l'adsorption et du transfert de matiere dans les zeolithes de structure MFI. Application a la separation des hydrocarbures satures mono et di-branches

    Energy Technology Data Exchange (ETDEWEB)

    Jolimaitre, E.

    1999-11-30

    The aim of this study was to develop a model representing the breakthrough of hydrocarbon mixtures in fixed bed, and to estimate the parameters of this model. Equilibrium isotherms and effective diffusivities of 3-methyl-pentane, isopentane and 2,2-dimethyl-butane in silicalite were measured between 150 and 300 deg. C and for different concentrations, with a linear chromatography technique. Parameter estimation was made by mean of a linear model developed for this work, on which a parameter identifiability study was made. The method used for the parameter identifiability study can be applied to any linear fixed bed model. Experimental single component and mixtures breakthrough curves of 2-methyl-pentane, isopentane and 2,2-dimethyl-butane were then realized at 200 deg. C. Adsorption isotherms and self diffusivities were estimated from single-component curves, using a non linear model of the bed. The non-linear model was also developed and validated during this work. These parameters were injected into the non-linear model to simulate the experimental mixture breakthrough curves. Influence of the velocity variation in the bed and of the diffusion driving-force (Maxwell-Stefan or Fick theory) was studied. Most of the experimental breakthrough curves are correctly predicted by the model, expect for the isopentane-2,2-dimethyl-butane mixture, for which predicted breakthrough time is inferior to experimental values. (author)

  2. Impact of structural modification of 1,2,4-thiadiazole derivatives on thermodynamics of solubility and solvation processes in 1-octanol and n-hexane

    International Nuclear Information System (INIS)

    Surov, Artem O.; Bui, Cong Trinh; Volkova, Tatyana V.; Proshin, Alexey N.; Perlovich, German L.

    2016-01-01

    Highlights: • Solubility processes of some 1,2,4-thiadiazoles in n-hexane and 1-octanol were investigated. • Solvation processes of some 1,2,4-thiadiazoles in n-hexane and 1-octanol were studied. • Transfer processes from n-hexane to 1-octanol were evaluated. • Impact of various substituents in 1,2,4-thiadiazoles on the mentioned processes was studied. - Abstract: Influence of a structural modification on thermodynamic aspects of solubility and solvation processes of the 1,2,4-thiadiazole drug-like compounds in pharmaceutically relevant solvents n-hexane and 1-octanol was investigated. The solubility of the compounds in 1-octanol does not substantially depend on the nature and position of the substituent in the phenyl moiety. In n-hexane, however, the introduction of any substituent in the phenyl ring of the 1,2,4-thiadiazole molecule reduces the solubility in the solvent. In order to rationalize the relationships between the structure of 1,2,4-thiadiazoles and their solubility, the latter was considered in terms of two fundamental processes: sublimation and solvation. It was found that for the most of the compounds the solubility change in both solvents is a consequence of competition between the sublimation and solvation contributions, i.e. the introduction of substituents leads to growth of the sublimation Gibbs energy and increase in the solvation Gibbs energy. Thermodynamic parameters of the transfer process of the compounds from n-hexane to 1-octanol, which is a model of the blood–brain barrier (BBB), were also analyzed.

  3. Batch extraction modeling of jatropha oil using ethanol and n-hexane

    Energy Technology Data Exchange (ETDEWEB)

    Drummond, Alessandro Araujo; Martins, Marcio Aredes [Universidade Federal de Vicosa (DEA/UFV), MG (Brazil). Dept. de Engenharia Agricola], E-mail: aredes@ufv.br; Santos, Karine Tennis dos [Universidade Federal de Vicosa (DEQ/UFV), MG (Brazil). Dept. de Quimica; Carneiro, Angelica Cassia de Oliveira [Universidade Federal de Vicosa (DFT/UFV), MG (Brazil). Dept. de Fitotecnia; Perez, Ronaldo [Universidade Federal de Vicosa (DTA/UFV), MG (Brazil). Dept. de Tecnologia de Alimentos

    2008-07-01

    Jatropha curcas (Linnaeus.) has been considered as a promising alternative for rainfall regimes from 200 to over 1500 mm per annum. The seed and the oil have many applications, such as purgative, in the treatment of skin infections and rheumatism, in the control of insects, mollusks and fungi, for diesel engines lubricants, in soap and paint production, and mainly for biodiesel production. New technologies should be developed to accomplish the oil production in large scale, since the Brazilian Biodiesel Program stimulates the oilseeds productions. In large scale oil production, the oil is obtained using solvent extraction. The solvent widely used for oil extraction is the n-hexane mainly because of its low vaporization temperature and selectivity to the lipidic fraction. However, the use of n-hexane in small capacity plants makes the process expensive because of high operating losses. Alcohols were exhaustively studied at pilot and industrial scales extraction plants. Ethanol is an efficient and advantageous extraction solvent for oilseeds, being an attractive alternative to extraction grade n-hexane. Therefore, the objective of the present work is to model and to compare the extraction kinetics of jatropha oil by using ethanol and n-hexane. Extractions experiments were performed in a batch extractor at 45 deg C using a liquid-to-solvent ratio of 15:1 (mL solvent/g sample). Samples were taken every 15 min, and extraction time was to 2 h. The kinetics of oil extraction data were fitted to the models reported in literature. For n-hexane and ethanol extractions, the fractional residual oil at 120 minutes was 0.314 and 0.0538, respectively. The models reported in literature were suitable to describe the n-hexane extraction, especially the Duggal model. However, those models were not adequate the model the ethanol extraction (author)

  4. Analgesic and Anti-inflammatory Profile of n-Hexane Fraction of ...

    African Journals Online (AJOL)

    Purpose: To evaluate the analgesic and anti-inflammatory activities of n-hexane extract of the whole plant of Viola betonicifolia Sm, family: Violaceace. Methods: The n-hexane fraction of Viola betonicifolia (VBHF) was tested for its analgesic and antiinflammatory activities (carrageenan-induced and histamine-induced ...

  5. Hydro-isomerization of n-hexane on bi-functional catalyst: Effect of total and hydrogen partial pressures

    Science.gov (United States)

    Thoa, Dao Thi Kim; Loc, Luu Cam

    2017-09-01

    The effect of both total pressure and hydrogen partial pressure during n-hexane hydro-isomerization over platinum impregnated on HZSM-5 was studied. n-Hexane hydro-isomerization was conducted at atmospheric pressure and 0.7 MPa to observe the influence of total pressure. In order to see the effect of hydrogen partial pressure, the reaction was taken place at different partial pressure of hydrogen varied from 307 hPa to 718 hPa by dilution with nitrogen to keep the total pressure at 0.1 MPa. Physico-chemical characteristics of catalyst were determined by the methods of nitrogen physi-sorption BET, SEM, XRD, TEM, NH3-TPD, TPR, and Hydrogen Pulse Chemi-sorption. Activity of catalyst in the hydro-isomerization of n-hexane was studied in a micro-flow reactor in the temperature range of 225-325 °C; the molar ratio H2/ hydrocarbon: 5.92, concentration of n-hexane: 9.2 mol.%, GHSV 2698 h-1. The obtained catalyst expressed high acid density, good reducing property, high metal dispersion, and good balance between metallic and acidic sites. It is excellent contact for n-hexane hydro-isomerization. At 250 °C, n-hexane conversion and selectivity were as high as 59-76 % and 85-99 %, respectively. It was found that catalytic activity was promoted either by total pressure or hydrogen partial pressure. At total pressure of 0.7 MPa while hydrogen partial pressure of 718 hPa, catalyst produced 63 RON liquid product containing friendly environmental iso-paraffins which is superior blending stock for green gasoline. Hydrogen did not only preserve catalyst actives by depressing hydrocracking and removing coke precursors but also facilitated hydride transfer step in the bi-functional bi-molecular mechanism.

  6. Hydropyrolysis of n-Hexane and Toluene to Acetylene in Rotating-Arc Plasma

    Directory of Open Access Journals (Sweden)

    Jie Ma

    2017-07-01

    Full Text Available Thermal plasma pyrolysis is a powerful technology for converting waste or low-value materials to valuable gaseous hydrocarbons. This paper presents for the first time the hydropyrolysis of n-hexane and toluene in a rotating-arc plasma reactor. Effects of the mole ratio of H/C in the feed, power input and magnetic induction were investigated to evaluate the reaction performance. A lower H/C ratio could lead to a lower yield of C2H2 and lower specific energy consumption, and there existed an optimum range of power input for both n-hexane and toluene pyrolysis within the investigated range. The yield of C2H2 in n-hexane and toluene pyrolysis could reach 85% and 68%, respectively, with respective specific energy consumption (SEC of 13.8 kWh/kg·C2H2 and 19.9 kWh/kg·C2H2. Compared with the results reported in literature, the rotating-arc plasma process showed higher C2H2 yield and lower energy consumption, which is attributed to the better initial mixing of the reactant with the hot plasma gas and the more uniform temperature distribution.

  7. Decomposition of multilayer benzene and n-hexane films on vanadium.

    Science.gov (United States)

    Souda, Ryutaro

    2015-09-21

    Reactions of multilayer hydrocarbon films with a polycrystalline V substrate have been investigated using temperature-programmed desorption and time-of-flight secondary ion mass spectrometry. Most of the benzene molecules were dissociated on V, as evidenced by the strong depression in the thermal desorption yields of physisorbed species at 150 K. The reaction products dehydrogenated gradually after the multilayer film disappeared from the surface. Large amount of oxygen was needed to passivate the benzene decomposition on V. These behaviors indicate that the subsurface sites of V play a role in multilayer benzene decomposition. Decomposition of the n-hexane multilayer films is manifested by the desorption of methane at 105 K and gradual hydrogen desorption starting at this temperature, indicating that C-C bond scission precedes C-H bond cleavage. The n-hexane dissociation temperature is considerably lower than the thermal desorption temperature of the physisorbed species (140 K). The n-hexane multilayer morphology changes at the decomposition temperature, suggesting that a liquid-like phase formed after crystallization plays a role in the low-temperature decomposition of n-hexane.

  8. Excess enthalpies of the ternary mixtures: {tetrahydrofuran + 3-methylpentane + (octane or decane)} at the temperature 298.15 K

    International Nuclear Information System (INIS)

    Wang Zhaohui; Benson, George C.; Lu, Benjamin C.-Y.

    2003-01-01

    Measurements of excess molar enthalpies at the temperature 298.15 K in a flow microcalorimeter, are reported for the two ternary mixtures {X 1 C 4 H 8 O + X 2 CH 3 CH 2 CH(CH 3 )CH 2 CH 3 + (1-X 1 -X 2 )CH 3 (CH 2 ) v-2 CH 3 } with v=8 and 10. Smooth representations of the results are described and used to construct constant-enthalpy contours on Roozeboom diagrams. It is shown that useful estimates of the ternary enthalpies can be obtained from the Liebermann-Fried model, using only the physical properties of the components and their binary mixtures

  9. Structure of solid monolayers and multilayers of n-hexane on graphite

    Indian Academy of Sciences (India)

    Unknown

    We present all-atom molecular dynamics simulations of n-hexane on the ... cluster of n-hexane molecules on graphite, using the all-atom interaction model. ... We do not include such molecules in our analyses of the structure factor and other.

  10. N-hexane neuropathy with vertigo and cold allodynia in a silk screen printer: A case study.

    Science.gov (United States)

    Pradhan, Sunil; Tandon, Ruchika

    2015-01-01

    N-hexane neuropathy is an occupational disease caused by exposure to n-hexane, which is used as a solvent in silk screen printing. Here, we describe a 35-year-old man, a silk screen printer by profession, who presented with dizziness, distal swelling of both lower limbs for 10 months and tingling and burning sensation in both feet for 9.5 months along with cold allodynia. The patient had normal results of a motor and sensory system examination, apart from an impaired temperature sense. Nerve conduction tests showed a conduction block in bilateral common peroneal nerves and absence of conduction in bilateral sural nerves. These symptoms resolved when further exposure to n-hexane was ceased but cold allodynia remained. Thus, cold allodynia and impaired temperature sense can be a manifestation of n-hexane neuropathy. Hence, abnormalities on nerve conduction studies can be detected in n-hexane neuropathy patients, even before clinical examination detects any such abnormalities. In the case of the patients presenting with sensory motor neuropathy, history of occupational exposure to n-hexane becomes important, as the sooner the disease is detected, the better the chances of recovery. This work is available in Open Access model and licensed under a CC BY-NC 3.0 PL license.

  11. Communication: Molecular dynamics and {sup 1}H NMR of n-hexane in liquid crystals

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Adrian C. J., E-mail: WeberA@BrandonU.CA [Chemistry Department, Brandon University, 270-18th Street, Brandon, Manitoba R7A 6A9 (Canada); Burnell, E. Elliott, E-mail: elliott.burnell@ubc.ca [Chemistry Department, University of British Columbia, 2036 Main Mall, Vancouver, British Columbia V6T 1Z1 (Canada); Meerts, W. Leo, E-mail: leo.meerts@science.ru.nl [Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, NL-6525 AJ Nijmegen (Netherlands); Atomic, Molecular and Laser Physics, Vrije Universiteit, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands); Lange, Cornelis A. de, E-mail: c.a.de.lange@vu.nl [Atomic, Molecular and Laser Physics, Vrije Universiteit, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands); Dong, Ronald Y., E-mail: rondong@phas.ubc.ca [Department of Physics and Astronomy, University of British Columbia, 6224 Agricultural Road, Vancouver, British Columbia V6T 1Z1 (Canada); Muccioli, Luca, E-mail: Luca.Muccioli@unibo.it; Pizzirusso, Antonio, E-mail: Antonio.Pizzirusso80@gmail.com; Zannoni, Claudio, E-mail: Claudio.Zannoni@unibo.it [Dipartimento di Chimica Industriale “Toso Montanari,” Università di Bologna and INSTM, viale Risorgimento 4, 40136 Bologna (Italy)

    2015-07-07

    The NMR spectrum of n-hexane orientationally ordered in the nematic liquid crystal ZLI-1132 is analysed using covariance matrix adaptation evolution strategy (CMA-ES). The spectrum contains over 150 000 transitions, with many sharp features appearing above a broad, underlying background signal that results from the plethora of overlapping transitions from the n-hexane as well as from the liquid crystal. The CMA-ES requires initial search ranges for NMR spectral parameters, notably the direct dipolar couplings. Several sets of such ranges were utilized, including three from MD simulations and others from the modified chord model that is specifically designed to predict hydrocarbon-chain dipolar couplings. In the end, only inaccurate dipolar couplings from an earlier study utilizing proton-proton double quantum 2D-NMR techniques on partially deuterated n-hexane provided the necessary estimates. The precise set of dipolar couplings obtained can now be used to investigate conformational averaging of n-hexane in a nematic environment.

  12. Thermally Stable Dialkylzirconocenes with β-Hydrogens. Synthesis and Diastereoselectivity

    OpenAIRE

    Wendt, Ola F.; Bercaw, John E.

    2001-01-01

    Alkylation of Cp^r_2ZrCl_2 (Cpr = Cp (η^5-C_5H_5), Cp‘ (η^5-C_5H_4Me), Cp^* (η^5-C_5Me_5)) and CpCp^*Zr(CH_3)Cl with 1-lithio-2-methylpentane (R^1Li) gives the corresponding dialkylzirconocenes Cp^r_2ZrR^1_2 and CpCp^*Zr(CH_3)R^1, in high yields. Such alkyls have unprecedented thermal stabilities, especially for the CpCp^* ligand framework. The diastereomers of the Cp^r_2ZrR^1_2 complexes are formed in a statistical distribution, whereas the diastereomers of CpCp^*Zr(CH_3)R^1 form in a 2:3 ra...

  13. Catalytic oxidation of volatile organic compounds (n-hexane, benzene, toluene, o-xylene promoted by cobalt catalysts supported on γ-Al2O3-CeO2

    Directory of Open Access Journals (Sweden)

    R. Balzer

    2014-09-01

    Full Text Available Cobalt catalysts supported on γ-alumina, ceria and γ-alumina-ceria, with 10 or 20%wt of cobalt load, prepared by the wet impregnation method and characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM, field emission transmission electron microscopy (FETEM, N2 adsorption-desorption isotherms (BET/BJH methods, energy-dispersive X-ray spectroscopy (EDX, X-ray photoemission spectroscopy (XPS, O2-chemisorption and temperature programmed reduction (TPR were used to promote the oxidation of volatile organic compounds (n-hexane, benzene, toluene and o-xylene. For a range of low temperatures (50-350 °C, the activity of the catalysts with a higher cobalt load (20% wt was greater than that of the catalysts with a lower cobalt load (10% wt. The Co/γ-Al2O3-CeO2 catalytic systems presented the best performances. The results obtained in the characterization suggest that the higher catalytic activity of the Co20/γ-Al2O3-CeO2 catalyst may be attributed to the higher metal content and amount of oxygen vacancies, as well as the effects of the interaction between the cobalt and the alumina and cerium oxides.

  14. Characterization of the key aroma compounds in beef and pork vegetable gravies á la chef by application of the aroma extract dilution analysis.

    Science.gov (United States)

    Christlbauer, Monika; Schieberle, Peter

    2009-10-14

    By application of the aroma extract dilution analysis (AEDA) on an aroma distillate isolated from a freshly prepared, stewed beef/vegetable gravy, 52 odor-active compounds were detected in the flavor dilution (FD) factor range of 4-4096. On the basis of high FD factors in combination with the results of the identification experiments, 3-(methylthio)propanal (cooked potato), 3-mercapto-2-methylpentan-1-ol (gravy-like), (E,E)-2,4-decadienal (deep-fried, fatty), 3-hydroxy-4,5-dimethyl-2(5H)-furanone (lovage-like), vanillin (vanilla-like), (E,E)-2,4-nonadienal (deep-fried), and (E)-2-undecenal (metallic) are suggested as key contributors to the aroma of the gravy. To get an insight into the role of the vegetables as sources of gravy odorants, a beef gravy was prepared without vegetables. The AEDA results revealed that, in particular, onions and leek are important sources of gravy aroma compounds, adding particularly the very potent, gravy-like smelling 3-mercapto-2-methylpentan-1-ol to the overall aroma profile. Further compounds that were clearly derived from the vegetables and, thus, are important modifiers of the overall aroma were 4-vinyl-2-methoxyphenol, (E)-beta-damascenone, beta-ionone, 2-isopropyl-3-methoxypyrazine, and 2-(sec-butyl)-3-methoxypyrazine. Interestingly, none of the key odorants detected in the gravy can be assumed to be formed from a reaction between beef and vegetable constituents. A comparison of the odorants in the beef/vegetable gravy with a gravy prepared according to the same procedure, but substituting beef by pork meat, indicated that most of the aroma compounds were identical-although different in FD factors-but the tallowy smelling 12-methyltridecanal was detected as key odorant only in the beef/vegetable gravy.

  15. Density and temperature effects on electron mobilities in gaseous, critical and liquid n-hexane, cyclohexane, and cyclopentane

    International Nuclear Information System (INIS)

    Huang, S.S.-S.; Freeman, G.R.

    1978-01-01

    In the low density vapors the density normalized mobilities μn of thermal electrons decreased in the order n-hexane > cyclopentane > cyclohexane. Mobilities in the critical fluids were 16 cm 2 /V s in n-hexane, 23 in cyclohexane, and 22 in cyclopentane. Mobilities in the liquids were independent of field up to the highest value used, which was 1.5 Td in the hexanes and 0.9 Td in cyclopentane. The mobilities and their temperature dependences were interpreted in terms of a model

  16. Abnormal scattering of polymer in binary solvent

    Science.gov (United States)

    To, Kiwing; Kim, Chul A.; Choi, Hyoung J.

    The behavior of a high molecular weight polymer (polyethylene-oxide, PEO) in a binary liquid mixture (nitroethane/3-methyl-pentane, NE/MP) is studied at the one-phase temperature of NE/MP by static and dynamic light scattering methods. We found that the scattering intensity increased abruptly near the critical composition of NE/MP although the sample was very far from the critical temperature of NE/MP. Explanations in terms of critical opalescence and wetting layer inversion are discussed.

  17. Photophysical properties of hexyl diethylaminohydroxybenzoylbenzoate (Uvinul A Plus), a UV-A absorber.

    Science.gov (United States)

    Shamoto, Yuta; Yagi, Mikio; Oguchi-Fujiyama, Nozomi; Miyazawa, Kazuyuki; Kikuchi, Azusa

    2017-09-13

    Hexyl diethylaminohydroxybenzoylbenzoate (DHHB, Uvinul A Plus) is a photostable UV-A absorber. The photophysical properties of DHHB have been studied by obtaining the transient absorption, total emission, phosphorescence and electron paramagnetic resonance spectra. DHHB exhibits an intense phosphorescence in a hydrogen-bonding solvent (e.g., ethanol) at 77 K, whereas it is weakly phosphorescent in a non-hydrogen-bonding solvent (e.g., 3-methylpentane). The triplet-triplet absorption and EPR spectra for the lowest excited triplet state of DHHB were observed in ethanol, while they were not observed in 3-methylpentane. These results are explained by the proposal that in the benzophenone derivatives possessing an intramolecular hydrogen bond, intramolecular proton transfer is an efficient mechanism of the very fast radiationless decay from the excited singlet state. The energy level of the lowest excited triplet state of DHHB is higher than those of the most widely used UV-B absorbers, octyl methoxycinnamate (OMC) and octocrylene (OCR). DHHB may act as a triplet energy donor for OMC and OCR in the mixtures of UV-A and UV-B absorbers. The bimolecular rate constant for the quenching of singlet oxygen by DHHB was determined by measuring the near-IR phosphorescence of singlet oxygen. The photophysical properties of diethylaminohydroxybenzoylbenzoic acid (DHBA) have been studied for comparison. It is a closely related building block to assist in interpreting the observed data.

  18. Differential pulse polarographic determination of molybdenum (VI) in phosphoric medium by benzoin alpha oxime

    International Nuclear Information System (INIS)

    Chergouche, S.

    1992-02-01

    The extraction of Molybdenum (VI) using both 4-Methylpentane-2-one (hexone) and chloroform dissolved Benzoin-alpha-oxime has been investigated in order to develop a simple and sensitive polarographic method allowing the analysis of Molybdenum (VI) contained in industrial phosphoric acid produced in ANNABA (Eastern Algeria). The investigation takes into account various parameters such as: The stirring time, solvent rate, the number of stages ... as well as the organic phase conditioning during the polarographic analysis

  19. Characteristics of atmospheric non-methane hydrocarbons during haze episode in Beijing, China.

    Science.gov (United States)

    Guo, Songjun; Tan, Jihua; Duan, Jingchun; Ma, Yongliang; Yang, Fumo; He, Kebin; Hao, Jimin

    2012-12-01

    This study firstly focused on non-methane hydrocarbons (NMHCs) during three successive days with haze episode (16-18 August 2006) in Beijing. Concentrations of alkanes, alkenes, aromatic hydrocarbons, and ethyne all peaked at traffic rush hour, implying vehicular emission; and alkanes also peaked at non-traffic rush hour in the daytime, implying additional source. Especially, alkanes and aromatics clearly showed higher levels in the nighttime than that in the daytime, implying their active photochemical reactions in the daytime. Correlation coefficients (R (2)) showed that propane, n-butane, i-butane, ethene, propene, and benzene correlated with ethyne (R (2) = 0.61-0.66), suggesting that their main source is vehicular emission; 2-methylpentane and n-hexane correlated with i-pentane (R (2) = 0.61-0.64), suggesting that gasoline evaporation is their main source; and ethylbezene, m-/p-xylene, and o-xylene correlated with toluene (R (2) = 0.60-0.79), suggesting that their main source is similar to that of toluene (e.g., solvent usage). The R (2) of ethyne, i-pentane, and toluene with total NMHCs were 0.58, 0.76, and 0.60, respectively, indicating that ambient hydrocarbons are associated with vehicular emission, gasoline evaporation, and solvent usage. The sources of other hydrocarbons (e.g., ethane) might be natural gas leakage, biogenic emission, or long-range transport of air pollutants. Measured higher mean B/T ratio (0.78 ± 0.27) was caused by the more intensive photochemical activity of toluene than benzene, still indicating the dominant emission from vehicles.

  20. 2-Bis(diphenylphosphanylhexane]bis[undecacarbonyl-triangulo-triruthenium(3 Ru—Ru] hexane monosolvate: crystal structure and Hirshfeld surface analysis

    Directory of Open Access Journals (Sweden)

    Omar bin Shawkataly

    2017-11-01

    Full Text Available In the title cluster complex hexane solvate, [Ru6(C30H32P2(CO22]·C6H14, two Ru3(CO11 fragments are linked by a Ph2P(CH26PPh2 bridge with the P atoms equatorially disposed with respect to the Ru3 triangle in each case; the hexane solvent molecule is statistically disordered. The Ru...Ru distances span a relatively narrow range, i.e. 2.8378 (4 to 2.8644 (4 Å. The hexyl chain within the bridge has an all-trans conformation. In the molecular packing, C—H...O interactions between cluster molecules, and between cluster and hexane solvent molecules lead to a three-dimensional architecture. In addition, there are a large number of C[triple-bond]O...π(arene interactions in the crystal. The importance of the carbonyl groups in establishing the packing is emphasized by the contribution of 53.4% to the Hirshfeld surface by O...H/H...O contacts.

  1. Comparative Study of Various Preparation Methods of CuO–CeO2 Catalysts for Oxidation of n–Hexane and iso–Octane

    Directory of Open Access Journals (Sweden)

    Ashutosh Mishra

    2013-03-01

    Full Text Available The complete oxidation of n-Hexane and iso-Octane was studied individually in a fixed bed tubular flow reactor over CuO-CeO2 catalysts synthesized via four different methods namely urea-nitrate combustion method, urea gelation/co-precipitation method, citric acid sol-gel method and co-impregnation method. Laser diffraction was employed in catalysts characterization. The results obtained from the complete conversion of n-Hexane and iso-Octane revealed that the CuO-CeO2 catalysts prepared by urea-nitrate combustion method (UNC showed the best performance than the catalysts prepared by other methods used in the present investigation. CuO-CeO2 catalysts prepared by UNC method achieve total n-Hexane and iso-Octane conversion to CO2 at lower temperatures of 280 0C and 340 0C respectively due to the larger surface area of the catalysts which increases the specific rate of reaction. © 2013 BCREC UNDIP. All rights reservedReceived: 30th October 2012; Revised: 30th November 2012; Accepted: 3rd December 2012[How to Cite: A. Mishra, B.D. Tripathi, A.K. Rai, R. Prasad (2013. Comparative Study of Various Preparation Methods of CuO–CeO2 Catalysts for Oxidation of n–Hexane and iso–Octane. Bulletin of Chemical Reaction Engineering & Catalysis, 7(3: 172-178. (doi:10.9767/bcrec.7.3.4076.172-178][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.7.3.4076.172-178 ] View in  |

  2. N-hexane neuropathy with vertigo and cold allodynia in a silk screen printer: A case study

    Directory of Open Access Journals (Sweden)

    Sunil Pradhan

    2015-10-01

    Full Text Available N-hexane neuropathy is an occupational disease caused by exposure to n-hexane, which is used as a solvent in silk screen printing. Here, we describe a 35-year-old man, a silk screen printer by profession, who presented with dizziness, distal swelling of both lower limbs for 10 months and tingling and burning sensation in both feet for 9.5 months along with cold allodynia. The patient had normal results of a motor and sensory system examination, apart from an impaired temperature sense. Nerve conduction tests showed a conduction block in bilateral common peroneal nerves and absence of conduction in bilateral sural nerves. These symptoms resolved when further exposure to n-hexane was ceased but cold allodynia remained. Thus, cold allodynia and impaired temperature sense can be a manifestation of n-hexane neuropathy. Hence, abnormalities on nerve conduction studies can be detected in n-hexane neuropathy patients, even before clinical examination detects any such abnormalities. In the case of the patients presenting with sensory motor neuropathy, history of occupational exposure to n-hexane becomes important, as the sooner the disease is detected, the better the chances of recovery.

  3. Mutual solubility between hexane and three-n-butyl phosphate solvates of lanthanide(III) and thorium(IV) nitrates at various temperatures

    International Nuclear Information System (INIS)

    Keskinov, V.A.; Lishuk, V.V.; Pyartman, A.K.

    2007-01-01

    Phase diagrams of binary liquid systems of hexane-rare earth(III) nitrates solvates (rare earth - neodymium, gadolinium, yttrium, ytterbium, lutetium) and thorium(IV) with tri-n-butylphosphate are studied at different temperatures. Phase diagrams of binary systems consist of fields of homogeneous solutions and field of stratification into two liquid phases (I, II): phase I is enriched by hexane, and phase II - [Ln(NO 3 ) 3 (TBP) 3 ] (Ln=Nd, Gd, Y, Yb and Lu) or [Th(NO 3 ) 4 (TBP) 2 ]. Field of stratification into two liquid phases are decreased with growing temperature in binary systems [ru

  4. Analysis of petroleum contaminated soils by spectral modeling and pure response profile recovery of n-hexane

    International Nuclear Information System (INIS)

    Chakraborty, Somsubhra; Weindorf, David C.; Li, Bin; Ali, Md. Nasim; Majumdar, K.; Ray, D.P.

    2014-01-01

    This pilot study compared penalized spline regression (PSR) and random forest (RF) regression using visible and near-infrared diffuse reflectance spectroscopy (VisNIR DRS) derived spectra of 164 petroleum contaminated soils after two different spectral pretreatments [first derivative (FD) and standard normal variate (SNV) followed by detrending] for rapid quantification of soil petroleum contamination. Additionally, a new analytical approach was proposed for the recovery of the pure spectral and concentration profiles of n-hexane present in the unresolved mixture of petroleum contaminated soils using multivariate curve resolution alternating least squares (MCR-ALS). The PSR model using FD spectra (r 2  = 0.87, RMSE = 0.580 log 10  mg kg −1 , and residual prediction deviation = 2.78) outperformed all other models tested. Quantitative results obtained by MCR-ALS for n-hexane in presence of interferences (r 2  = 0.65 and RMSE 0.261 log 10  mg kg −1 ) were comparable to those obtained using FD (PSR) model. Furthermore, MCR ALS was able to recover pure spectra of n-hexane. - Highlights: • We predicted soil petroleum contamination with VisNIR DRS spectra. • We examined 2 spectral pretreatments and 2 multivariate models. • MCR-ALS was used for compositional and spectral resolution of n-hexane. • Penalized spline regression performed best for quantifying soil TPH. • MCR-ALS was promising for resolution of complex soil–petroleum mixture. - Use of VisNIR DRS for rapid quantification of soil TPH and resolution of complex soil petroleum mixtures

  5. Engineering Saccharomyces cerevisiae To Release 3-Mercaptohexan-1-ol during Fermentation through Overexpression of an S. cerevisiae Gene, STR3, for Improvement of Wine Aroma▿

    Science.gov (United States)

    Holt, Sylvester; Cordente, Antonio G.; Williams, Simon J.; Capone, Dimitra L.; Jitjaroen, Wanphen; Menz, Ian R.; Curtin, Chris; Anderson, Peter A.

    2011-01-01

    Sulfur-containing aroma compounds are key contributors to the flavor of a diverse range of foods and beverages. The tropical fruit characters of Vitis vinifera L. cv. Sauvignon blanc wines are attributed to the presence of the aromatic thiols 3-mercaptohexan-1-ol (3MH), 3-mercaptohexan-1-ol-acetate, and 4-mercapto-4-methylpentan-2-one (4MMP). These volatile thiols are found in small amounts in grape juice and are formed from nonvolatile cysteinylated precursors during fermentation. In this study, we overexpressed a Saccharomyces cerevisiae gene, STR3, which led to an increase in 3MH release during fermentation of a V. vinifera L. cv. Sauvignon blanc juice. Characterization of the enzymatic properties of Str3p confirmed it to be a pyridoxal-5′-phosphate-dependent cystathionine β-lyase, and we demonstrated that this enzyme was able to cleave the cysteinylated precursors of 3MH and 4MMP to release the free thiols. These data provide direct evidence for a yeast enzyme able to release aromatic thiols in vitro that can be applied in the development of self-cloned yeast to enhance wine flavor. PMID:21478306

  6. evaluation of commercial FCC catalysts for hydrocarbon conversion. I. Physicochemical characterization and n-hexane conversion.

    NARCIS (Netherlands)

    Brait, A.; Brait, A.; Seshan, Kulathuiyer; Lercher, J.A.

    1998-01-01

    The physicochemical properties of six steam-stabilized, commercial FCC catalysts were compared in respect of their catalytic activity for n-hexane conversion. The conversion of n-hexane over these catalysts could be fully explained by three reaction pathways: protolytic cracking, protolytic

  7. Vapor-Liquid Equilibria in the Binary and Ternary Systems Composed of 2-Methylpentane, 3-Methyl-2-Butanone and 3-Methyl-2-Butanol

    Czech Academy of Sciences Publication Activity Database

    Psutka, Štěpán; Wichterle, Ivan

    2005-01-01

    Roč. 50, č. 4 (2005), s. 1338-1342 ISSN 0021-9568 R&D Projects: GA ČR(CZ) GA104/03/1555; GA AV ČR(CZ) KSK4040110 Institutional research plan: CEZ:AV0Z40720504 Keywords : vapor-liquid equilibrium * binary- ternary systems * isothermal Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.610, year: 2005

  8. Comparison of antibacterial activity of Talok (Muntingia calabura L) leaves ethanolic and n-hexane extracts on Propionibacterium acnes

    Science.gov (United States)

    Desrini, Sufi; Ghiffary, Hifzhan Maulana

    2018-04-01

    Muntingia calabura L., also known locally as Talok or Kersen, is a plant which has been widely used as traditional medicine in Indonesia. In this study, we evaluated the antibacterial activity of Muntingia calabura L. Leaves ethanolic and n-hexane extract extract on Propionibacterium acnes. Antibacterial activity was determined in the extracts using agar well diffusion method. The antibacterial activities of each extract (2 mg/mL, 8 mg/ml, 20 mg/mL 30 mg/mL, and 40 mg/mL) were tested against to Propionibacterium acnes. Zone of inhibition of ethanolic extract and n-hexane extract was measured, compared, and analyzed by using a statistical programme. The phytochemical analyses of the plants were carried out using thin chromatography layer (TLC). The average diameter zone of inhibition at the concentration of 2 mg/mL of the ethanolic extract is 9,97 mm while n-Hexane extract at the same concentration showed 0 mm. Statistical test used was non-parametric test using Kruskal Wallis test which was continued to the Mann-Whitney to see the magnitude of the difference between concentration among groups. Kruskal-Wallis test revealed a significant value 0,000. Based on the result of Post Hoc test using Mann - Whitney test, there is the statistically significant difference between each concentration of ethanolic extract and n-hexane as well as positive control group (p-value < 0,05). Both extracts have antibacterial activity on P.acne. However, ethanolic extract of Muntingia calabura L. is better in inhibiting Propionibacterium acnes growth than n-hexane extract.

  9. Hexane abatement and spore emission control in a fungal biofilter-photoreactor hybrid unit

    Energy Technology Data Exchange (ETDEWEB)

    Saucedo-Lucero, J.O. [Department of Chemical Engineering and Environmental Technology, University of Valladolid, Dr. Mergelina s/n, 47011 Valladolid (Spain); IPICyT, Instituto Potosino de Investigación Científica y Tecnológica, División de Ciencias Ambientales, Camino a la Presa San José No. 2055, C.P., 78216 San Luis Potosí (Mexico); Quijano, G. [Department of Chemical Engineering and Environmental Technology, University of Valladolid, Dr. Mergelina s/n, 47011 Valladolid (Spain); Arriaga, S. [IPICyT, Instituto Potosino de Investigación Científica y Tecnológica, División de Ciencias Ambientales, Camino a la Presa San José No. 2055, C.P., 78216 San Luis Potosí (Mexico); Muñoz, R., E-mail: mutora@iq.uva.es [Department of Chemical Engineering and Environmental Technology, University of Valladolid, Dr. Mergelina s/n, 47011 Valladolid (Spain)

    2014-07-15

    Highlights: • A fungal biofilter/photoreactor was evaluated in terms of hexane and spore removal. • Biofilter supported elimination capacities of ≈35 g m{sup −3} h{sup −1} and CO{sub 2} yields of ≈75%. • The photocatalytic process slightly boosted the hexane abatement performance. • Biofilter emitted fungal spores at concentrations of 2.4 × 10{sup 3}–9.0 × 10{sup 4} CFU m{sup −3}. • Photo-assisted post-treatments resulted in spore deactivation efficiencies of 98%. - Abstract: The performance of a fungal perlite-based biofilter coupled to a post-treatment photoreactor was evaluated over 234 days in terms of n-hexane removal, emission and deactivation of fungal spores. The biofilter and photoreactor were operated at gas residence times of 1.20 and 0.14 min, respectively, and a hexane loading rate of 115 ± 5 g m{sup −3} h{sup −1}. Steady n-hexane elimination capacities of 30–40 g m{sup −3} h{sup −1} were achieved, concomitantly with pollutant mineralization efficiencies of 60–90%. No significant influence of biofilter irrigation frequency or irrigation nitrogen concentration on hexane abatement was recorded. Photolysis did not support an efficient hexane post-treatment likely due to the short EBRT applied in the photoreactor, while overall hexane removal and mineralization enhancements of 25% were recorded when the irradiated photoreactor was packed with ZnO-impregnated perlite. However, a rapid catalyst deactivation was observed, which required a periodic reactivation every 48 h. Biofilter irrigation every 3 days supported fungal spore emissions at concentrations ranging from 2.4 × 10{sup 3} to 9.0 × 10{sup 4} CFU m{sup −3}. Finally, spore deactivation efficiencies of ≈98% were recorded for the photolytic and photocatalytic post-treatment processes. This study confirmed the potential of photo-assisted post-treatment processes to mitigate the emission of hazardous fungal spores and boost the abatement performance of

  10. GC-MS characterization of n-hexane soluble fraction from dandelion (Taraxacum officinale Weber ex F.H. Wigg.) aerial parts and its antioxidant and antimicrobial properties.

    Science.gov (United States)

    Ivanov, Ivan; Petkova, Nadezhda; Tumbarski, Julian; Dincheva, Ivayla; Badjakov, Ilian; Denev, Panteley; Pavlov, Atanas

    2018-01-26

    A comparative investigation of n-hexane soluble compounds from aerial parts of dandelion (Taraxacum officinale Weber ex F.H. Wigg.) collected during different vegetative stages was carried out. The GC-MS analysis of the n-hexane (unpolar) fraction showed the presence of 30 biologically active compounds. Phytol [14.7% of total ion current (TIC)], lupeol (14.5% of TIC), taraxasteryl acetate (11.4% of TIC), β-sitosterol (10.3% of TIC), α-amyrin (9.0% of TIC), β-amyrin (8.3% of TIC), and cycloartenol acetate (5.8% of TIC) were identified as the major components in n-hexane fraction. The unpolar fraction exhibited promising antioxidant activity - 46.7 mmol Trolox equivalents/g extract (determined by 1,1-diphenyl-2-picrylhydrazyl method). This fraction demonstrated insignificant antimicrobial activity and can be used in cosmetic and pharmaceutical industries.

  11. High Pressure Vapor-Liquid Equilibrium of Supercritical Carbon Dioxide + n-Hexane System

    Institute of Scientific and Technical Information of China (English)

    YU Jinglin; TIAN Yiling; ZHU Rongjiao; LIU Zhihua

    2006-01-01

    Vapor-liquid equilibrium data of supercritical carbon dioxide + n-hexane system were measured at 313.15 K,333.15 K,353.15 K,and 373.15 K and their molar volumes and densities were measured both in the subcritical and supercritical regions ranging from 2.15 to 12.63 MPa using a variable-volume autoclave.The thermodynamic properties including mole fractions,densities,and molar volumes of the system were calculated with an equation of state by Heilig and Franck,in which a repulsion term and a square-well potential attraction term for intermolecular interaction was used.The pairwise combination rule was used to calculate the square-well molecular interaction potential and three adjustable parameters (ω,kε,kσ) were obtained.The Heilig-Franck equation of state is found to have good correlation with binary vapor-liquid equilibrium data of the carbon dioxide + n-hexane system.

  12. 1 - Aromatization of n-hexane and natural gasoline over ZSM-5 zeolite, 2- Wet catalytic oxidation of phenol on fixed bed of active carbon; 1 - Aromatisation de n-hexane et d'essence sur zeolithe ZSM-5, 2 - Oxydation catalytique en voie humide du phenol sur charbon actif

    Energy Technology Data Exchange (ETDEWEB)

    Suwanprasop, S.

    2005-04-15

    I - The production of aromatic hydrocarbons from n-hexane and natural gasoline over Pd loaded ZSM-5 zeolite in a tubular reactor was achieved under the suitable conditions at 400 deg. C, and 0.4 ml/min reactant feeding rate, employing ZSM-5 (0.5% Pd content) as a catalyst. Under these conditions, n-hexane and natural gasoline conversions were found to be 99.7% and 94.3%, respectively (with respective aromatic selectivity of 92.3% and 92.6%). II - Wet catalytic air oxidation of phenol over a commercial active carbon was studied in a three phase fixed bed reactor under mild temperature and oxygen partial pressure. Exit phenol concentration, COD, and intermediates were analysed. Oxidation of phenol was significantly improved when increasing operating temperature, oxygen partial pressure, and liquid space time, while up or down flow modes had only marginal effect. A complete model involving intrinsic kinetics and all mass transfer limitations gave convenient reactor simulation. (author)

  13. Synthesis of zeolite-zeolite (mfi-fau) composite catalysts for the isomerization of n-hexane

    International Nuclear Information System (INIS)

    Ghouri, A.S; Usman, M.R.

    2017-01-01

    In this research work, the aim is to produce a relatively novel zeolite-zeolite (MFI-FAU) composite catalyst having better potential of catalyzing isomerization of lighter hydrocarbons such as light naphtha, n-pentane, n-hexane, n-heptane and mixture thereof. A series of zeolite-zeolite (MFI-FAU) composite catalysts have been synthesized by incorporating previous practices and techniques. The catalytic performance of as-synthesized zeolite-zeolite (MFI-FAU) composite catalysts have been investigated by isomerizing 95% pure n-hexane in conventional fixed bed flow micro-reactor at temperature 200-240 ºC under atmospheric pressure. In order to explore chemical and physical features of zeolite-zeolite (MFI-FAU) composite catalysts, they are examined and characterized using powder X-ray diffraction (XRD), scanning electron microscopy (SEM) coupled with energy-dispersive X-ray spectrometry (EDX), N2 adsorption-desorption measurements (BET, BJH, t-plot measurements) and Fourier transform infrared (FTIR) spectroscopy equipped with attenuated total reflectance (ATR) arrangements. (author)

  14. Determination of gold in copper-bearing sulphide ores and metallurgical flotation products by atomic-absorption spectrometry.

    Science.gov (United States)

    Strong, B; Murray-Smith, R

    1974-12-01

    A method is described which is specific for the determination of gold in sulphide copper ores and concentrates. Direct decomposition with aqua regia was found to be incomplete. A carefully controlled roasting stage followed by treatment with hydrochloric acid and then aqua regia was effective for dissolving all the gold. The gold is extracted into 4-methylpentan-2-one (methyli-sobutylketone) then aspirated into a very lean air-acetylene flame and the gold determined by atomic-absorption spectrometry. No interferences were observed from large concentrations of copper, iron or nickel.

  15. Inhalation developmental toxicology studies: Teratology study of n-hexane in mice: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Mast, T.J.; Decker, J.R.; Stoney, K.H.; Westerberg, R.B.; Evanoff, J.J.; Rommereim, R.L.; Weigel, R.J.

    1988-05-01

    Gestational exposure to n-hexane resulted in an increase in the number of resorbed fetuses for exposure groups relative to the control group; however, the increases were not directly correlated to exposure concentration. The differences were statistically significant for the 200-ppM with respect to total intrauterine death (early plus late resorptions), and with respect to late resorptions for the 5000-ppM group. A small, but statistically significant, reduction in female (but not male) fetal body weight relative to the control group was observed at the 5000-ppM exposure level. There were no exposure-related increases in any individual fetal malformation or variation, nor was there any increase in the incidence of combined malformations or variations. Gestational exposure of CD-1 mice to n-hexane vapors appeared to cause a degree of concentration-related developmental toxicity in the absence of overt maternal toxicity, but the test material was not found to be teratogenic. This developmental toxicity was manifested as an increase in the number of resorptions per litter for all exposure levels, and as a decrease in the uterine: extra-gestational weight gain ratio at the 5000-ppM exposure level. Because of the significant increase in the number of resorptions at the 200-ppM exposure level, a no observable effect level (NOEL) for developmental toxicity was not established for exposure of mice to 200, 1000 or 5000-ppM n-hexane vapors. 21 refs., 3 figs., 9 tabs.

  16. A Mesopore-Dependent Catalytic Cracking of n-Hexane Over Mesoporous Nanostructured ZSM-5.

    Science.gov (United States)

    Qamar, M; Ahmed, M I; Qamaruddin, M; Asif, M; Sanhoob, M; Muraza, O; Khan, M Y

    2018-08-01

    Herein, pore size, crystalinity, and Si/Al ratio of mesoporous ZSM-5 (MFI) nanocrystals was controlled by synthesis parameters, such as surfactant concentration ([3-(trimethoxysilyl)propyl] hexa-decyl dimethyl ammonium chloride), sodium hydroxide concentrations, synthesis temperature and time. The morphology, surface structure and composition of the MFI particles was systematically investigated. More notably, the mesopore-dependent catalytic activity of ZSM-5 was evaluated by studying the cracking of n-hexane. The findings suggest the porosity has pronounced impact on the catalytic activity, selectivity and stability of ZSM-5 nanocrystals. Critical surface attributes such as nature of acid sites (Brønsted and Lewis), concentration, and strength are obtained by the infrared study of adsorbed probe molecules (pyridine) and the temperature programmed desorption. In spite of being weaker in Si/Al ratio or acidic strength, mesoporous catalysts showed more stable and efficient cracking of n-hexane suggesting that acidity seems not the predominant factor operative in the activity, selectivity and stability.

  17. Radiolysis of fatty acid esters in n-hexane solution in an atmosphere of nitrogen

    International Nuclear Information System (INIS)

    Kimura, Kazuo; Shirai, Kazuo

    1975-01-01

    There have been several problems in food preservation by irradiation. Deterioration of food components by irradiation is one of the most substantial subjects. This investigation was undertaken as a basic experiment to discuss the radiolysis of lipids in food irradiation. In the previous paper, radiolytic examination on six of methyl esters of fatty acids in n-hexane solution in the presence of air was reported. In the present work the same samples-methyl stearate (C sub(18:0)), methyl oleate (C sub(18:1)), methyl linoleate (C sub(18:2)), methyl linolenate (C sub(18:3)), methyl arachidate (C sub(20:0)) and methyl arachidonate (C sub(20:4)) were examined in an atmosphere of nitrogen. Samples in n-hexane solution were sealed in glass ampules after substituted with nitrogen. Preparations were treated with 60 Co-gamma-radiation at dose from 1.8 x 10 6 to 7.1 x 10 6 rads. These preparations were analyzed by gas chromatography, infrared spectrophotometry and iodine value determination. The results were as follows: 1. Generally speaking saturated acids were stable and unsaturated were unstable. 2. In unsaturated series, the high unsaturated fatty acids were more labile to gamma-irradiation and the more increased doses induced the more drastic decompositions. 3. It was observed by infrared spectra that some isomerization from cis to trans configuration occured at double bond systems in unsaturated fatty acids. (auth.)

  18. Experimental Determination of the Molar Absorption Coefficient of n-Hexane Adsorbed on High-Silica Zeolites.

    Science.gov (United States)

    Gatti, Giorgio; Olivas Olivera, Diana F; Sacchetto, Vittoria; Cossi, Maurizio; Braschi, Ilaria; Marchese, Leonardo; Bisio, Chiara

    2017-09-06

    Determination of the molar absorption coefficients of the CH 3 bending mode at ν˜ =1380 cm -1 (ϵ 1380 ) of n-hexane adsorbed from the gas phase on two different dealuminated zeolites is derived by a combination of IR spectroscopy and microgravimetric analysis. High-silica zeolite Y (HSZ-Y) and zeolite ZSM-5 (with SiO 2 /Al 2 O 3 ratios of 200 and 280, respectively) with different textural and surface features are selected to evaluate the effect of the pore structure and architecture on the value of ϵ 1380 of the adsorbed n-hexane. Experimental data indicate that the molecule experiences a different adsorption environment inside zeolites; thus resulting in a significant change of the dipole moment and very different ϵ 1380 values: (0.278±0.018) cm μmol -1 for HSZ-Y and (0.491±0.032) cm μmol -1 for ZSM-5. Experimental data are also supported by computational modeling, which confirms the effect of different matrices on the IR absorption intensity. This study reveals that the use of probe molecules for quantitative measurements of surface sites has to be judiciously adopted, especially if adsorption occurs in the restricted spaces of microporous materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Inhalation reproductive toxicology studies: Male dominant lethal study of n-hexane in Swiss (CD-1) mice: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Mast, T.J.; Rommereim, R.L.; Evanoff, J.J.; Sasser, L.B.; Decker, J.R.; Stoney, K.H.; Weigel, R.J.; Westerberg, R.B.

    1988-08-01

    The straight-chain hydrocarbon, n-hexane, is a volatile, ubiquitous solvent routinely used in industrial environments; consequently, the opportunity for industrial, environmental or accidental exposure to hexane vapors is significant. Although myelinated nerve tissue is the primary target organ of hexane, the testes have also been identified as being sensitive to hexacarbon exposure. The objective of this study was to evaluate male dominant lethal effects in Swiss (CD-1) mice after exposure to 0, 200, 1000, or 5000 ppM n-hexane, 20 h/day for 5 consecutive days. Each exposure concentration consisted of 30 randomly selected, proven male breeders; 4 groups. The mice were weighed just prior to the first day of exposure and at weekly intervals until sacrifice. Ten males in each dose group were sacrificed one day after the cessation of exposure, and their testes and epididymides were removed for evaluation of the germinal epithelium. The remaining male mice, 20 per group, were individually housed in hanging wire-mesh breeding cages where they were mated with unexposed, virgin females for eight weekly intervals; new females were provided each week. The mated females were sacrificed 12 days after the last day of cohabitation and their reproductive status and the number and viability of the implants were recorded. The appearance and behavior of the male mice were unremarkable throughout the study period and no evidence of n-hexane toxicity was observed. 18 refs., 3 figs., 11 tabs.

  20. Inhalation reproductive toxicology studies: Male dominant lethal study of n-hexane in Swiss (CD-1) mice: Final report

    International Nuclear Information System (INIS)

    Mast, T.J.; Rommereim, R.L.; Evanoff, J.J.; Sasser, L.B.; Decker, J.R.; Stoney, K.H.; Weigel, R.J.; Westerberg, R.B.

    1988-08-01

    The straight-chain hydrocarbon, n-hexane, is a volatile, ubiquitous solvent routinely used in industrial environments; consequently, the opportunity for industrial, environmental or accidental exposure to hexane vapors is significant. Although myelinated nerve tissue is the primary target organ of hexane, the testes have also been identified as being sensitive to hexacarbon exposure. The objective of this study was to evaluate male dominant lethal effects in Swiss (CD-1) mice after exposure to 0, 200, 1000, or 5000 ppM n-hexane, 20 h/day for 5 consecutive days. Each exposure concentration consisted of 30 randomly selected, proven male breeders; 4 groups. The mice were weighed just prior to the first day of exposure and at weekly intervals until sacrifice. Ten males in each dose group were sacrificed one day after the cessation of exposure, and their testes and epididymides were removed for evaluation of the germinal epithelium. The remaining male mice, 20 per group, were individually housed in hanging wire-mesh breeding cages where they were mated with unexposed, virgin females for eight weekly intervals; new females were provided each week. The mated females were sacrificed 12 days after the last day of cohabitation and their reproductive status and the number and viability of the implants were recorded. The appearance and behavior of the male mice were unremarkable throughout the study period and no evidence of n-hexane toxicity was observed. 18 refs., 3 figs., 11 tabs

  1. Excess molar volumes of the ternary system {methylcyclohexane (1)+cyclohexane (2)+n-alkanes (3)} at T=298.15 K

    International Nuclear Information System (INIS)

    Iloukhani, Hossein; Rezaei-Sameti, Mahdi

    2005-01-01

    Densities were experimentally determined in the whole range of composition at T=298.15 K for the ternary system {methylcyclohexane (1)+cyclohexane (2)+n-alkanes (3)} and for the seven corresponding binary systems. The n-alkanes include n-hexane, n-heptane, and n-octane. Excess molar volumes, V E , were calculated for the binaries and ternaries systems. The V 123 E data are positive over the entire range of composition for the systems {methylcyclohexane (1)+cyclohexane (2)+n-heptane (3) or n-octane (3)} at three fixed compositions (f m =X 1 /X 2 ). For the system {methylcyclohexane (1)+cyclohexane (2)+n-hexane (3)}, the V E values showed positive for f m =0.3 and negative for f m =3. The V E data exhibit, an inversion in sign in the mixture containing f m =1 for later ternary system. Several empirical expressions are used to predict and correlate the ternary excess molar volumes from experimental results on the constituted binaries and analyzed to gain insight about liquid mixture interactions

  2. Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate

    Directory of Open Access Journals (Sweden)

    Guido J. Reiss

    2017-01-01

    Full Text Available The asymmetric unit of the title salt, [H3N(CH26NH3][(HOO2P(CH26PO2(OH], consists of one half of a hexane-1,6-diaminium dication and one half of a hexane-1,6-diyl bis(hydrogen phosphonate dianion. Both are located around different centres of inversion (Wyckoff sites: 2a and 2d of the space group P21/c. The shape of the hexane-1,6-diaminium cation is best described as a double hook. Both aminium groups as well as the two attached CH2 groups are turned out from the plane of the central four C atoms. In contrast, all six C atoms of the dianion are almost in a plane. The hydrogen phosphonate (–PO3H groups of the anions and the aminium groups of the cations form two-dimensional O—H... and O—H...N hydrogen-bonded networks parallel to the ac plane, built up from ten-membered and twelve-membered ring motifs with graph-set descriptors R33(10 and R54(12, respectively. These networks are linked by the alkylene chains of the anions and cations. The resulting three-dimensional network shows a herringbone pattern, which resembles the parent structures 1,6-diaminohexane and hexane-1,6-diphosphonic acid.

  3. Effect of methanol, n-hexane and aqueous extract of Irvingia ...

    African Journals Online (AJOL)

    Bush mango leaf (Irvingia gabonensis) is commonly used locally to treat diarrhoea. The present study evaluated the anti-diarrhoea effect of this plant extract on albino rats induced with castor oil. Fresh tender leaf of this plant was collected, air-dried, powdered and percolated in n-hexane, methanol and aqueous solvents.

  4. Fractionation of benzene/n-hexane mixtures by pervaporation using polyurethane membranes

    Directory of Open Access Journals (Sweden)

    CUNHA V. S.

    1999-01-01

    Full Text Available In the present work polyurethane membranes obtained from different polyester/MDI-based polymers were used to separate benzene/n-hexane mixtures by pervaporation. In pervaporation experiments, with a 50% wt feed at room temperature, permeate fluxes in the range of 0.3 to 3.2 Kg/m2h (10 mm membrane thickness and selectivity in the range of 3.8 to 5.6 were obtained. The permeate was always enriched in benzene. Taking into account the compromise between flux and selectivity, the best performance membrane was selected for complementary sorption and pervaporation experiments. Results show that selectivity increases and the permeation flux decreases when the benzene concentration in the feed decreases. In the present application, results also show that sorption is the main factor for selectivity. Using the distillation azeotropic mixture as feed, almost no influence of temperature on selectivity was observed in the range of 25oC to 56oC. The permeate flux increases seven-fold, while selectivity remains constant near 8.0.

  5. 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.

  6. The ignition delay, laminar flame speed and adiabatic temperature characteristics of n-pentane, n-hexane and n-heptane under O{sub 2}/CO{sub 2} atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Ran [Huazhong Univ. of Science and Technology, Wuhan (China). State Key Lab. of Coal Combustion; Wuhan Textile Univ. (China). School of Environment and Urban Construction; Liu, Hao; Zhong, Xiaojiao; Wang, Zijian; Jin, Ziqin; Qiu, Jianrong [Huazhong Univ. of Science and Technology, Wuhan (China). State Key Lab. of Coal Combustion; Chen, Yingming [Wuhan Textile Univ. (China). School of Environment and Urban Construction

    2013-07-01

    Oxy-fuel (O{sub 2}/CO{sub 2}) combustion is one of the several promising new technologies which can realize the integrated control of CO{sub 2}, SO{sub 2}, NO{sub X} and other pollutants. However, when fuels are burned in the high CO{sub 2} concentration environment, the combustion characteristics can be very different from conventional air-fired combustion. Such changes imply that the high CO{sub 2} concentration atmosphere has impacts on the combustion processes. In this paper, the ignition time, laminar flame speed and adiabatic temperature property of C{sub 5} {proportional_to} C{sub 7} n-alkane fuels were studied under both ordinary air atmosphere and O{sub 2}/CO{sub 2} atmospheres over a wide range of CO{sub 2} concentration in the combustion systems. A new unified detailed chemical kinetic model was validated and used to simulate the three liquid hydrocarbon fuel's flame characteristics. Based on the verified model, the influences of various parameters (atmosphere, excess oxygen ratio, O{sub 2} concentration, CO{sub 2} concentration, and alkane type) on the C{sub 5} {proportional_to} C{sub 7} n-alkane's flame characteristics were systematically investigated. It can be concluded that high CO{sub 2} concentration atmosphere has negative effect on n-pentane, n-hexane and n-heptane flame's ignition, laminar flame speed and adiabatic temperature. Besides, this work confirms that high CO{sub 2} concentration atmosphere's chemical effects play a pronounced role on the flame characteristics, especially for the ignition time property.

  7. Synergistic Effects of n-Hexane Fraction of Parkia biglobosa (Jacq. Bark Extract and Selected Antibiotics on Bacterial Isolates

    Directory of Open Access Journals (Sweden)

    Oluwatayo E. Abioye

    2017-02-01

    Full Text Available The incidence of resistance to commonly used antimicrobial agents by microbial pathogens demands increased effort in the development of effective ways of treating infections and diseases. The n-hexane fraction of lyophilized crude bark extract of Parkia biglobosa (Jacq. was prepared and, in combination with selected antibiotics, assayed for antimicrobial activity against some selected bacterial pathogens using time-kill assay. Protein leakage analysis of the combined agents was performed using Bradford protein quantification method. Determination of active compounds present in the n-hexane fraction was done using Fourier Transform Infrared Spectroscopy (FTIR. While time-kill assay detected 43.33% synergy; 56.67% indifference and no antagonism at 1/2 × minimum inhibitory concentration (MIC, 1 × MIC exhibited 55% synergy, 45% indifference and no antagonism. Protein leakages from the cells of selected bacteria ranged from 1.20 µg/mL to 256.93 µg/mL. The presence of a phenyl group, an aromatic ring and phenolic compounds in the n-hexane fraction was confirmed at 2162 cm−1–2020 cm−1, 1605 cm−1–1533 cm−1 and 1438 cm−1–1444 cm−1 spectra peaks, respectively. The observed antibiotic−n-hexane fraction synergistic interaction revealed the improved antibacterial activity of the selected antibiotics. Hence, exploration of a combination of antibiotics with plant secondary metabolites is hereby advocated in the global quest for means of combating infectious diseases caused by multidrug-resistant pathogens.

  8. Catalytic oxidation of n-hexane promoted by Ce1−xCuxO2 catalysts prepared by one-step polymeric precursor method

    International Nuclear Information System (INIS)

    Araújo, Vinícius D.; Lima, Maurício M. de; Cantarero, Andrés; Bernardi, Maria I.B.; Bellido, Jorge D.A.; Assaf, Elisabete M.; Balzer, Rosana; Probst, Luiz F.D.; Fajardo, Humberto V.

    2013-01-01

    Ceria-supported copper catalysts (Ce 1−x Cu x O 2 , with x (mol) = 0, 0.01, 0.03, 0.05 and 0.10) were prepared in one step through the polymeric precursor method. The textural properties of the catalysts were investigated by X-ray diffraction (XRD), Rietveld refinement, N 2 -physisorption (BET surface area), electron paramagnetic resonance (EPR), UV–visible diffuse reflectance and photoluminescence spectroscopies and temperature-programmed reduction (TPR). In a previous study ceria-supported copper catalysts were found to be efficient in the preferential oxidation of CO. In this study, we extended the catalytic application of Ce 1−x Cu x O 2 systems to n-hexane oxidation and it was verified that the catalysts were highly efficient in the proposed reaction. The best performance (up to 95% conversion) was observed for the catalysts with low copper loads (Ce 0.97 Cu 0.03 O 2 and Ce 0.99 Cu 0.01 O 2 , respectively). The physicochemical characterizations revealed that these behaviors could be attributed to the copper species present in the catalysts and the interaction between CuO and CeO 2 , which vary according to the copper content. - Highlights: • Synthesis of CuO/CeO2 catalysts by the one-step polymeric precursor method. • 95% n-hexane conversion on Ce0.97Cu0.03O2 catalyst. • Redox properties play a key role in the catalytic performance

  9. Characterization of the most odor-active volatiles in fresh, hand-squeezed juice of grapefruit (Citrus paradisi Macfayden).

    Science.gov (United States)

    Buettner, A; Schieberle, P

    1999-12-01

    By application of the aroma extract dilution analysis on an extract prepared from fresh grapefruit juice, 37 odor-active compounds were detected in the flavor dilution (FD) factor range of 4-256 and subsequently identified. Among them the highest odor activities (FD factors) were determined for ethyl butanoate, p-1-menthene-8-thiol, (Z)-3-hexenal, 4,5-epoxy-(E)-2-decenal, 4-mercapto-4-methylpentane-2-one, 1-heptene-3-one, and wine lactone. Besides the 5 last mentioned compounds, a total of 13 further odorants were identified for the first time as flavor constituents of grapefruit. The data confirmed results of the literature on the significant contribution of 1-p-menthene-8-thiol in grapefruit aroma but clearly showed that a certain number of further odorants are necessary to elicit the typical grapefruit flavor.

  10. Thermodiffusion, molecular diffusion and Soret coefficient of binary and ternary mixtures of n-hexane, n-dodecane and toluene.

    Science.gov (United States)

    Alonso de Mezquia, David; Wang, Zilin; Lapeira, Estela; Klein, Michael; Wiegand, Simone; Mounir Bou-Ali, M

    2014-11-01

    In this study, the thermodiffusion, molecular diffusion, and Soret coefficients of 12 binary mixtures composed of toluene, n-hexane and n-dodecane in the whole range of concentrations at atmospheric pressure and temperatures of 298.15 K and 308.15 K have been determined. The experimental measurements have been carried out using the Thermogravitational Column, the Sliding Symmetric Tubes and the Thermal Diffusion Forced Rayleigh Scattering techniques. The results obtained using the different techniques show a maximum deviation of 9% for the thermodiffusion coefficient, 8% for the molecular diffusion coefficient and 2% for the Soret coefficient. For the first time we report a decrease of the thermodiffusion coefficient with increasing ratio of the thermal expansion coefficient and viscosity for a binary mixture of an organic ring compound with a short n-alkane. This observation is discussed in terms of interactions between the different components. Additionally, the thermogravitational technique has been used to measure the thermodiffusion coefficients of four ternary mixtures consisting of toluene, n-hexane and n-dodecane at 298.15 K. In order to complete the study, the values obtained for the molecular diffusion coefficient in binary mixtures, and the thermodiffusion coefficient of binary and ternary mixtures have been compared with recently derived correlations.

  11. Preparation of catalysts based on Cu-Mn for combustion of n-hexane

    International Nuclear Information System (INIS)

    Picasso, Gino; Belleza, Freddy; Zavala, Cesar; Lopez, Alcides; Sun Kou, Rosario

    2014-01-01

    Catalysts based on Cu-Mn mixed oxides (with molar ratio Cu/Mn in the range of 0,33 to 3) have been prepared by sol-gel method of self-combustion for removal of n-hexane. Two combustion agents, citric acid and ethylenglycol, were applied to study their influence in the final catalyst. Additionally, simple oxides have been synthesized using the same procedure for comparison reasons. The catalysts were characterized by X-ray diffraction (XRD) and sorption of N_2 (BET method). All samples depicted surfaces, preferentially assigned to mesoporosity whose values ranged from 4 to 50 m"2/g. All XRD difractograms of mixed samples showed the presence of a good crystalinity indepently of composition, with the formation of spinel-hopcalite phase meanwhile Mn and Cu simple oxide showed peaks attributed to Mn_O_3, Mn_3O_4 and CuO, respectively. Curves of activity, measured as number of VOC molecules converted per hour and per gram of catalyst, considering the specific surface, showed that mixed oxides with more Mn content were the best, additionally, the sample prepared from citric acid was more active than the corresponding values to simple oxides, probably due to the better specific surface and the better spinel-hopcalite structure obtained. (author)

  12. On sub-T(g) dewetting of nanoconfined liquids and autophobic dewetting of crystallites.

    Science.gov (United States)

    Souda, Ryutaro

    2012-03-28

    The glass transition temperature (T(g)) of thin films is reduced by nanoconfinement, but it is also influenced by the free surface and substrate interface. To gain more insights into their contributions, dewetting behaviors of n-pentane, 3-methylpentane, and toluene films are investigated on various substrates as functions of temperature and film thickness. It is found that monolayers of these molecules exhibit sub-T(g) dewetting on a perfluoro-alkyl modified Ni substrate, which is attributable to the evolution of a 2D liquid. The onset temperature of dewetting increases with film thickness because fluidity evolves via cooperative motion of many molecules; sub-T(g) dewetting is observed for films thinner than 5 monolayers. In contrast, monolayers wet substrates of graphite, silicon, and amorphous solid water until crystallization occurs. The crystallites exhibit autophobic dewetting on the substrate covered with a wetting monolayer. The presence of premelting layers is inferred from the fact that n-pentane crystallites disappear on amorphous solid water via intermixing. Thus, the properties of quasiliquid formed on the crystallite surface differ significantly from those of the 2D liquid formed before crystallization.

  13. Radiation- stimulated adsorption of n-hexane on the surface of silicon

    International Nuclear Information System (INIS)

    Hajiyeva, N.N.

    2014-01-01

    Full text : This paper presents the results of studies of radiation-stimulated adsorption of n-hexane on a silicon surface, obtained by infrared reflection-absorption spectroscopy method. It has been used a monocrystal silicon plate with high reflectance coefficient of the surface. Irradiation of the samples was carried out on gamma-quantum source of 60Co

  14. Molecular dynamics studies of the melting of butane and hexane monolayers adsorbed on the basal-plane surface of graphite

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Newton, J. C.; Taub, H.

    1993-01-01

    The effect of molecular steric properties on the melting of quasi-two-dimensional solids is investigated by comparing results of molecular dynamics simulations of the melting of butane and hexane monolayers adsorbed on the basal-plane surface of graphite. These molecules differ only in their length......, being members of the n-alkane series [CH3(CH2)n−2CH3] where n=4 for butane and n=6 for hexane. The simulations employ a skeletal model, which does not include the hydrogen atoms explicitly, to represent the intermolecular and molecule–substrate interactions. Nearest-neighbor intramolecular bonds...... are fixed in length, but the molecular flexibility is preserved by allowing the bend and dihedral torsion angles to vary. The simulations show a qualitatively different melting behavior for the butane and hexane monolayers consistent with neutron and x-ray scattering experiments. The melting of the low...

  15. Synthesis of Conformationally North-Locked Pyrimidine Nucleosides Built on an Oxabicyclo[3.1.0]hexane Scaffold | Center for Cancer Research

    Science.gov (United States)

    Beginning with a known 3-oxabicyclo[3.1.0]-hexane scaffold, the relocation of the fused cyclopropane ring bond and the shifting of the oxygen atom to an alternative location engendered a new 2-oxabicyclo[3.1.0]hexane template that mimics more closely the tetrahydrofuran ring of conventional nucleosides. The synthesis of this new class of locked nucleosides involved a novel

  16. Preparation of catalysts based on Ce-Mn mixed oxide by coprecipitation for combustion of n-hexane

    International Nuclear Information System (INIS)

    Picasso, Gino; Zavala, Cesar; Cruz, Romulo; Sun Kou, Rosario; Lopez, Alcides

    2013-01-01

    Catalysts based on Ce-Mn mixed with different Ce/Mn molar ratios ranging from 0,5 to 2 have been prepared by coprecipitation at pH constant with ageing times of 4, 18 and 24 h for combustion of n-hexane. XRD patterns of the mixed oxides showed the majority presence of fluorite phase. Specific BET surface areas of mixed oxides were always higher than their single counterparts and their adsorption isotherm depicted a mesoporous surface of Type IV. TPR thermograms confirmed the presence of mixed oxide phase, whose profile shifted to smaller temperatures with increasing content of ceria. Catalytic tests were performed with 2000 ppm of n-hexane and WHSV of 80 h -1 in a fixed-bed reactor. For all samples, only CO 2 and water were observed at total conversion and no partial combustion products were obtained. Ce-Mn mixed oxides were more active than simple oxide samples no matter the aging time. Mixed samples presented thermal stability in contrast with simple ones. Mixed sample with Ce/Mn molar ratio of 2 depicted the highest activity probably due to higher surface area and better reducibility ability of mixed phase. (author)

  17. Theoretical and Spectroscopic investigations of conformations, rotational barriers and scaled vibrations of 2,3-dimethyl hexane

    Directory of Open Access Journals (Sweden)

    Aziz Aboulmouhajir

    2017-01-01

    Full Text Available The 2,3-dimethyl hexane conformational isomerism has been investigated in detail, based on HF, Post-HF and DFT calculations at different basis set. The effect of size of basis, ZPE, thermal contributions, electronic correlation and optimization methods on the conformational stability was discussed. The rotational barriers from the most stable conformer to the lowest energy secondary conformers and their correspondent inversion barriers at both HF and MP2 methods using 6-31G* basis set have also been approached. A normal mode calculation of the most and less-stable conformers using a scaled ab initio force field in terms of non-redundant local symmetry coordinates have been made to elucidate the conformational dependence of the vibrational spectra.

  18. In-line formation of chemically cross-linked P84® co-polyimide hollow fibre membranes for H2/CO2 separation

    KAUST Repository

    Choi, Seung Hak

    2010-12-13

    In this study, chemically cross-linked asymmetric P84® co-polyimide hollow fibre membranes with enhanced separation performance were fabricated, using a dry-wet spinning process with an innovative in-line cross-linking step. The chemical modification was conducted by controlled immersion of the coagulated fibre in an aqueous 1,5-diamino-2-methylpentane (DAMP) cross-linker solution before the take-up. The effect of the cross-linker concentration on the thermal, mechanical, chemical and gas transport properties of the membranes was investigated. FT-IR/ATR analysis was used to identify the chemical changes in the polymer, while DSC analysis confirmed the changes in the Tg and the specific heat of the polymer upon cross-linking. Chemical cross-linking with a 10 wt.% aqueous DAMP solution strongly enhanced the H2/CO2 ideal selectivity from 5.3 to 16.1, while the H2 permeance of the membranes decreased from 7.06 × 10−3 to 1.01 × 10−3 m3(STP) m−2 h−1 bar−1 for a feed pressure of 1 bar at 25 °C. The increase of selectivity with decreasing permeance is somewhat higher than the slope in the Robeson upper bound, evidencing the positive effect of the cross-linking on the separation performance of the fibres. Simultaneously, the cross-linking leads to improved mechanical resistance of the membranes, which could be further enhanced by an additional thermal treatment. The produced membranes are therefore more suitable for use under harsh conditions and have a better overall performance than the uncross-linked ones.

  19. Testicular atrophy and loss of nerve growth factor-immunoreactive germ cell line in rats exposed to n-hexane and a protective effect of simultaneous exposure to toluene or xylene

    Energy Technology Data Exchange (ETDEWEB)

    Nylen, P; Johnson, A C; Hoeglund, G; Ebendal, T; Eriksdotter-Nilsson, M; Henschen, A; Olson, L; Hansson, T; Kronevi, T; Kvist, U

    1989-07-01

    Testicular and germ cell line morphology in rats were studied 2 weeks, 10 months and 14 months after cessation of a 61-day inhalation exposure to 1000 ppm n-hexane. Androgen biosynthetic capacity of testis, testosterone blood concentration, vas deferens morphology and noradrenaline (NA) concentration, epididymal sperm morphology, and fertility were also studied. Severe testicular atrophy involving the seminiferous tubules with loss of the nerve growth factor (NGF) immunoreactive germ cell line was found. Total loss of the germ cell line was found in a fraction of animals up to 14 months post-exposure, indicating permanent testicular damage. No impairment of androgen synthesis or androgen dependent accessory organs was observed. Simultaneous administration of 1000 ppm n-hexane and 1000 ppm toluene, or 1000 ppm n-hexane and 1000 ppm xylene, did not cause germ cell line alterations or testicular atrophy. Toluene and xylene were thus found to protect from n-hexane induced testicular atrophy. (orig.).

  20. Source profiles of volatile organic compounds (VOCs) measured in China: Part I

    Science.gov (United States)

    Liu, Ying; Shao, Min; Fu, Linlin; Lu, Sihua; Zeng, Limin; Tang, Dagang

    The profiles of major volatile organic compound (VOC) sources in China, including vehicle exhaust, gasoline vapor, paint, asphalt, industrial and residential coal burning, biomass burning, and the petrochemical industry, were experimentally determined. Source samples were taken using a dilution chamber for mobile and stationary sources, biomass burning in an actual Chinese farmer's house, and ambient air in a petrochemical industrial area. The concentrations of 92 VOC species were quantified using canister sampling and a gas chromatography-flame ionization detection/mass spectrometry system, and VOC source profiles were developed for source apportionment of VOCs in the Pearl River Delta region. Based on the measurement of source profiles, possible tracers for various emission sources were identified; e.g., 2-methylpentane and 1,3-butadiene could be used as tracers for vehicle exhaust; the characteristic compounds of architectural coating were aromatics such as toluene and m, p-xylene; the light hydrocarbons, namely n-butane, trans-2-butene, and n-pentane, dominated the composition of gasoline vapor; and n-nonane, n-decane, and n-undecane were found to be typical of diesel vapor and asphalt application processes. As different emission sources are characterized by overlapping VOC species, the ratio of possible VOC tracers could be used to assess the contribution of various sources. The ratios between n-butane and isobutane, 1,3-butadiene and isoprene, and the ratios of aromatics (e.g., toluene to benzene and ethylbenzene to m, p-xylene) in the measured sources were compared.

  1. Vapor phase nucleation of the short-chain n-alkanes (n-pentane, n-hexane and n-heptane): Experiments and Monte Carlo simulations

    Science.gov (United States)

    Ogunronbi, Kehinde E.; Sepehri, Aliasghar; Chen, Bin; Wyslouzil, Barbara E.

    2018-04-01

    We measured the nucleation rates of n-pentane through n-heptane in a supersonic nozzle at temperatures ranging from ca. 109 K to 168 K. For n-pentane and n-hexane, these are the first nucleation rate measurements that have been made, and the trends in the current data agree well with those in the earlier work of Ghosh et al. [J. Chem. Phys. 132, 024307 (2010)] for longer chain alkanes. Complementary Monte Carlo simulations, using the transferable potentials for phase equilibria-united atom potentials, suggest that despite the high degree of supercooling, the critical clusters remain liquid like under experimental conditions for n-pentane through n-heptane, but adopt more ordered structures for n-octane and n-nonane. For all three alkanes, the experimental and simulated nucleation rates are offset by ˜3 orders of magnitude when plotted as a function of ln S/(Tc/T - 1)1.5. Explicitly accounting for the surface tension difference between the real and model substances, or alternatively using the Hale [Phys. Rev. A 33, 4156 (1986); Metall. Mater. Trans. A 23, 1863 (1992)] scaling parameter, Ω, consistent with the model potential, increases the offset to ˜6 orders of magnitude.

  2. Synthesis of nanostructured catalysts based on Mn oxide for n-hexane elimination

    International Nuclear Information System (INIS)

    Picasso, Gino; Salazar, Ivonne; Lopez, Alcides

    2011-01-01

    Nanostructured Mn oxide based catalysts were synthesized by sol-gel method and corresponding bulk samples were prepared by precipitation procedure. In addition, some nanostructured samples based on Mn oxide supported on bentonite (montmorillonite) were prepared by incipient impregnation. Prior to calcination, the system was submitted by TEM analysis in order to study the peptization effect of acetic acid. The micrographs revealed that the sample prepared from nitrate precursor (0,06 M) achieved the highest monodispersion. After calcination of nanoparticles, TEM analysis has been performed in order to evaluate how extent the peptization agent is able to disperse. TEM micrographs of samples prepared from nitrate precursor revealed that the peptization effect increased with the concentration of acetic acid. XRD difractograms of Mn oxide samples showed characteristic well-defined diffraction peaks associated to Mn species as Mn 2 O 3 , Mn 3 O 4 and MnO 2 with more relative intensive signals in Mn 2 O 3 and Mn 3 O 4 spinel. Finally, synthesized manganese oxide nanoparticles were incorpored into layered structure of purified bentonite (montmorillonite) by incipient impregnation. Some essays with the unsupported and supported samples were performed for n-hexane combustion in a fixed bed reactor. Activity of bentonite supported sample was lower than its unsupported bulk sample counterpart; however the performance was higher than the corresponding to the support without active component probably due to more suitable structure position of nanoparticles into layered framework of starting bentonite. (author).

  3. A S-cysteine conjugate, precursor of aroma of White Sauvignon

    Directory of Open Access Journals (Sweden)

    Takatoshi Tominaga

    1995-12-01

    Full Text Available 4-mercapto-4-methylpentan-2-one (4-MMP, a strongly odorant compound responsible for the « boxtree » or « broom plant » odour of the Sauvignon wines, can be enzymaticaly released in vitro from an odourless must extract. The enzyme source used is a cell-free extract of the gastrointestinal bacterium Eubacterium limosum. This crude preparation exhibits a cysteine β-lyase activity which requires the presence of pyridoxal phosphate. The release of 4-MMP is inhibited when the substrate is previously treated with N-hydroxysuccimide acetate which reacts with a primary amine. The same bacterial extract is also able to release 4-MMP, pyruvic acid and ammonium, from S-(4-méthylpentan-2-one-L-cysteine. On the other hand, the cleavage of S-(4-méthylpentan-2-oneD,L-homocysteine and S-(4-méthylpentan-2-one- glutathione is very limited. These results suggest that the precursor of 4-MMP in Sauvignon must is a S-cysteine conjugate. Such an aroma precursor in grapes or in other fruits has never been round berore.

  4. Catalytic oxidation of n-hexane promoted by Ce{sub 1−x}Cu{sub x}O{sub 2} catalysts prepared by one-step polymeric precursor method

    Energy Technology Data Exchange (ETDEWEB)

    Araújo, Vinícius D., E-mail: dantas@ursa.ifsc.usp.br [Instituto de Física, Universidade de São Paulo – USP, 13560-970 São Carlos, SP (Brazil); Lima, Maurício M. de [Instituto de Ciencia de los Materiales, Universidad de Valencia, E-46071 Valencia (Spain); Fundación General, Universitat de Valencia, Valencia (Spain); Cantarero, Andrés [Instituto de Ciencia de los Materiales, Universidad de Valencia, E-46071 Valencia (Spain); Bernardi, Maria I.B. [Instituto de Física, Universidade de São Paulo – USP, 13560-970 São Carlos, SP (Brazil); Bellido, Jorge D.A. [CAP-Engenharia Química, Universidade Federal de São João Del-Rei – UFSJ, São João Del-Rei, MG (Brazil); Assaf, Elisabete M. [Instituto de Química, Universidade de São Paulo – USP, 13560-970 São Carlos, SP (Brazil); Balzer, Rosana; Probst, Luiz F.D. [Departamento de Química, Universidade Federal de Santa Catarina – UFSC, 88040-900 Florianópolis, SC (Brazil); Fajardo, Humberto V. [Departamento de Química, Universidade Federal de Ouro Preto – UFOP, 35400-000 Ouro Preto, MG (Brazil)

    2013-11-01

    Ceria-supported copper catalysts (Ce{sub 1−x}Cu{sub x}O{sub 2}, with x (mol) = 0, 0.01, 0.03, 0.05 and 0.10) were prepared in one step through the polymeric precursor method. The textural properties of the catalysts were investigated by X-ray diffraction (XRD), Rietveld refinement, N{sub 2}-physisorption (BET surface area), electron paramagnetic resonance (EPR), UV–visible diffuse reflectance and photoluminescence spectroscopies and temperature-programmed reduction (TPR). In a previous study ceria-supported copper catalysts were found to be efficient in the preferential oxidation of CO. In this study, we extended the catalytic application of Ce{sub 1−x}Cu{sub x}O{sub 2} systems to n-hexane oxidation and it was verified that the catalysts were highly efficient in the proposed reaction. The best performance (up to 95% conversion) was observed for the catalysts with low copper loads (Ce{sub 0.97}Cu{sub 0.03}O{sub 2} and Ce{sub 0.99}Cu{sub 0.01}O{sub 2}, respectively). The physicochemical characterizations revealed that these behaviors could be attributed to the copper species present in the catalysts and the interaction between CuO and CeO{sub 2}, which vary according to the copper content. - Highlights: • Synthesis of CuO/CeO2 catalysts by the one-step polymeric precursor method. • 95% n-hexane conversion on Ce0.97Cu0.03O2 catalyst. • Redox properties play a key role in the catalytic performance.

  5. PHYTOCHEMICAL ASSESSMENT ON N-HEXANE EXTRACT AND FRACTIONS OF Marsilea crenata Presl. LEAVES THROUGH GC-MS

    Directory of Open Access Journals (Sweden)

    Burhan Ma'arif

    2016-08-01

    Full Text Available Estrogen deficiency causes various health problems in postmenopausal women, including osteoporosis. Phytoestrogen emerged as a potential alternative of estrogen with minimum side effects. Green clover (Marsilea crenata Presl. is a typical plant in East Java which suspected contains estrogen-like substances. The aim of this research was to report the phytochemical properties of M. crenata using GC-MS as a preliminary study. M. crenata leaves were dried and extracted with n-hexane, then separated using vacuum column chromatography to get four fractions, after that the n-hexane extract and four fractions were identified with GC-MS. The results of GC-MS analysis showed some compounds contained in M. crenata leaves like monoterpenoid, diterpenoid, fatty acid compounds, and other unknown compounds. The results obtained in this research indicated a promising potential of M. crenata as medicinal plants, especially as antiosteoporotic agent.

  6. Studies on the extraction of wheat germ oil by commercial hexane

    Directory of Open Access Journals (Sweden)

    El Kinawy, Omayma S.

    2002-12-01

    Full Text Available Extraction of an edible oil from wheat germ, an important byproduct of wheat milling industry in Egypt, using commercial hexane was studied. The extraction was carried out in a single and in two successive stages using different solvent-to-solid ratios from 2 to 6 m3/ ton. The results showed that a good oil recovery (about 75% can be achieved using 4 m3 hexane for each ton germ extracted in a single stage. This amount of solvent can be reduced to 2.5 m3/ ton if the process is carried out in two successive stages. The study has shown also that the amount of oil recovered from wheat germ is not significantly affected by heating the extraction mixture during the extraction process. The developments of free acids and peroxides in the oil during the storage period of wheat germ prior to extraction and during the hot extraction process were also investigated.Se ha estudiado la extracción de un aceite comestible a partir del germen de trigo, importante subproducto de la industria de la molienda del trigo en Egipto, usando hexano comercial. La extracción se llevó a cabo en una etapa única y en dos sucesivas, usando diferentes relaciones solvente-sólido desde 2 a 6 m3/ton. Los resultados mostraron que una buena recuperación de aceite (alrededor del 75% puede alcanzarse usando 4 m3 de hexano por cada tonelada de germen extraído en una etapa única. Esta cantidad de solvente puede reducirse a 2’5 m3/ton si el proceso se lleva a cabo en dos etapas sucesivas. El estudio mostró también que la cantidad de aceite recuperada a partir del germen de trigo no se afectó significativamente por el calentamiento de la mezcla durante el proceso de extracción. También se estudió la producción de ácidos libres y peróxidos en el aceite durante el período de almacenamiento del germen de trigo anterior a la extracción y durante el proceso de extracción en caliente

  7. Antiproliferative activity of flower hexane extract obtained from Mentha spicata associated with Mentha rotundifolia against the MCF7, KB, and NIH/3T3 cell lines.

    Science.gov (United States)

    Nedel, Fernanda; Begnini, Karine; Carvalho, Pedro Henrique de Azambuja; Lund, Rafael Guerra; Beira, Fátima T A; Del Pino, Francisco Augusto B

    2012-11-01

    This study assessed the antiproliferative effect in vitro of the flower hexane extract obtained from Mentha spicata associated with Mentha rotundifolia against the human breast adenocarcinoma (MCF-7), human mouth epidermal carcinoma (KB), and mouse embryonic fibroblast (NIH 3T3) cell lines, using sulforhodamine B (SRB) assay. A cell density of 2×10(4)/well was seeded in 96-well plates, and samples at different concentrations ranging from 10 to 500 mg/mL were tested. The optical density was determined in an ELISA multiplate reader (Thermo Plate TP-Reader). Results demonstrated that the hexane extract presented antiproliferative activity against both the tumor cell lines KB and MCF-7, presenting a GI(50) (MCF-7=13.09 mg/mL), TGI (KB=37.76 mg/mL), and IL(50) (KB=291.07 mg/mL). Also, the hexane extract presented antiproliferative activity toward NIH 3T3 cells GI(50) (183.65 mg/mL), TGI (280.54 mg/mL), and IL(50) (384.59 mg/mL). The results indicate that the flower hexane extract obtained from M. spicata associated with M. rotundifolia presents an antineoplastic activity against KB and MCF-7, although an antiproliferative effect at a high concentration of the extract was observed toward NIH 3T3.

  8. Thermodiffusion Coefficient Analysis of n-Dodecane /n-Hexane Mixture at Different Mass Fractions and Pressure Conditions

    Science.gov (United States)

    Lizarraga, Ion; Bou-Ali, M. Mounir; Santamaría, C.

    2018-03-01

    In this study, the thermodiffusion coefficient of n-dodecane/n-hexane binary mixture at 25 ∘C mean temperature was determined for several pressure conditions and mass fractions. The experimental technique used to determine the thermodiffusion coefficient was the thermograviational column of cylindrical configuration. In turn, thermophysical properties, such as density, thermal expansion, mass expansion and dynamic viscosity up to 10 MPa were also determined. The results obtained in this work showed a linear relation between the thermophysical properties and the pressure. Thermodiffusion coefficient values confirm a linear effect when the pressure increases. Additionally, a new correlation based on the thermodiffusion coefficient for n C12/n C6 binary mixture at 25 ∘C temperature for any mass fraction and pressures, which reproduces the data within the experimental error, was proposed.

  9. Synthesis and Evaluation of Bicyclo[3.1.0]hexane-Based UDP-Galf Analogues as Inhibitors of the Mycobacterial Galactofuranosyltransferase GlfT2

    Directory of Open Access Journals (Sweden)

    Todd L. Lowary

    2016-08-01

    Full Text Available UDP-galactofuranose (UDP-Galf is the donor substrate for both bifunctional galactofuranosyltransferases, GlfT1 and GlfT2, which are involved in the biosynthesis of mycobacterial galactan. In this paper, a group of UDP-Galf mimics were synthesized via reductive amination of a bicyclo[3.1.0]hexane-based amine by reacting with aromatic, linear, or uridine-containing aldehydes. These compounds were evaluated against GlfT2 using a coupled spectrophotometric assay, and were shown to be weak inhibitors of the enzyme.

  10. 1,1′-(Hexane-1,6-diylbis(indoline-2,3-dione

    Directory of Open Access Journals (Sweden)

    Fatima Zahrae Qachchachi

    2016-04-01

    Full Text Available The molecule of the title compound, C22H20N2O4, is situated on a crystallographic centre of symmetry. The two indoline-2,3-dione fragments are linked by a hexylene group at each N atom. In the crystal, supramolecular layers propagating in the ac plane are formed via C—H...O hydrogen bonds.

  11. Antimicrobial activities of essential oil and hexane extract of Florence fennel [Foeniculum vulgare var. azoricum (Mill.) Thell.] against foodborne microorganisms.

    Science.gov (United States)

    Cetin, Bülent; Ozer, Hakan; Cakir, Ahmet; Polat, Taşkin; Dursun, Atilla; Mete, Ebru; Oztürk, Erdoğan; Ekinci, Melek

    2010-02-01

    The objective of this study was to determine the chemical compositions of the essential oil and hexane extract isolated from the inflorescence, leaf stems, and aerial parts of Florence fennel and the antimicrobial activities of the essential oil, hexane extract, and their major component, anethole, against a large variety of foodborne microorganisms. Gas chromatography and gas chromatography-mass spectrometry analysis showed that the essential oils obtained from inflorescence, leaf stems, and whole aerial parts contained (E)-anethole (59.28-71.69%), limonene (8.30-10.73%), apiole (trace to 9.23%), beta-fenchyl acetate (3.02-4.80%), and perillene (2.16-3.29%) as the main components. Likewise, the hexane extract of the plant sample exhibited a similar chemical composition, and it contained (E)-anethole (53.00%), limonene (27.16%), gamma-terpinene (4.09%), and perillene (3.78%). However, the hexane extract also contained less volatile components such as n-hexadecanoic acid (1.62%), methyl palmitate (1.17%), and linoleic acid (1.15%). The in vitro antimicrobial assays showed that the essential oil, anethole, and hexane extract were effective against most of the foodborne pathogenic, saprophytic, probiotic, and mycotoxigenic microorganisms tested. The results of the present study revealed that (E)-anethole, the main component of Florence fennel essential oil, is responsible for the antimicrobial activity and that the essential oils as well as the hexane extract can be used as a food preservative. This study is the first report showing the antimicrobial activities of essential oil and hexane extract of Florence fennel against probiotic bacteria.

  12. Poly(N,N -dibromo-N-ethyl-benzene-1,3-disulphonamide)

    Indian Academy of Sciences (India)

    catalysed oxidative coupling,12 a solid-phase synthe- sis,13 microwave ... The reaction was monitored by TLC (5:1, n-hexane/acetone). After completion of the reaction, CH2Cl2 (10 mL) was added and organic layer was separated and dried (MgSO4). Evaporation of ..... avoids the use of hazardous acids or bases. Also, we ...

  13. [Exposure to hazardous chemical substances in furniture industry].

    Science.gov (United States)

    Pośniak, Małgorzata; Kowalska, Joanna; Makhniashvili, Ivan

    2005-01-01

    The aim of the study was to assess the exposure to organic solvents in plants of the furniture industry. Studies were conducted in five furniture plants. Hazardous chemicals present in the air at workposts were determined by capillary gas chromatography with mass spectrometry and flame ionization detection. The analysis of air samples collected at the workposts allowed to identify the following chemicals occurring during varnishing and cleaning of furniture surface elements: acetone, butan-2-one, ethyl, isobutyl and methoxypropyl acetate, 4-methylpentan-2-on, toluene, ethylbenzene and xylenes. Indices characteristic of combined exposure ranged from 0.13 to 1.67 and exceeded the limit value at 21% of workposts. The results of the study indicate that chemicals present at representative workposts during the furniture production are harmful to health of workers, especially those involved in varnishing and cleaning of furniture elements.

  14. Chemical kinetic insights into the ignition dynamics of n-hexane

    KAUST Repository

    Tingas, Alexandros

    2017-10-13

    Normal alkanes constitute a significant fraction of transportation fuels, and are the primary drivers of ignition processes in gasoline and diesel fuels. Low temperature ignition of n-alkanes is driven by a complex sequence of oxidation reactions, for which detailed mechanisms are still being developed. The current study explores the dynamics of low-temperature ignition of n-hexane/air mixtures, and identifies chemical pathways that characterize the combustion process. Two chemical kinetic mechanisms were selected as a comparative study in order to better understand the role of specific reaction sequences in ignition dynamics: one mechanism including a new third sequential O2 addition reaction pathways (recently proposed by Wang et al. 2017), while the other without (Zhang et al. 2015). The analysis is conducted by applying tools generated from the computational singular perturbation (CSP) approach to two distinct ignition phenomena: constant volume and compression ignition. In both cases, the role of the third sequential O2 addition reactions proves to be significant, although it is found to be much more pronounced in the constant volume cases compared to the HCCI. In particular, in the constant volume ignition case, reactions present in the third sequential O2 addition reaction pathways (e.g., KDHP  →  products + OH) contribute significantly to the explosivity of the mixture; when accounted for along with reactions P(OOH)2 + O2  →  OOP(OOH)2 and OOP(OOH)2  →  KDHP + OH, they decrease ignition delay time of the mixture by up to 40%. Under HCCI conditions, in the first-stage ignition, the third-O2 addition reactions contribute to the process, although their role decays with time and becomes negligible at the end of the first stage. The second ignition stage is dominated almost exclusively by hydrogen-related chemistry.

  15. Probing the surface swelling in ultra-thin supported polystyrene films during case II diffusion of n-hexane

    NARCIS (Netherlands)

    Ogieglo, Wojciech; Wormeester, Herbert; Wessling, Matthias; Benes, Nieck Edwin

    2013-01-01

    In situ time-resolved spectroscopic ellipsometry is used to study the dynamics of n-hexane diffusion into, and the corresponding induced swelling of, ultra-thin polystyrene films. The experimental conditions are carefully selected to facilitate the observation of anomalous Case II diffusion in the

  16. Oil extraction from olive foot cake with acidic hexane

    Directory of Open Access Journals (Sweden)

    Kmieciak, S.

    1991-02-01

    Full Text Available The use of acidic hexane as a solvent increases the extracted oil yield from olive foot cake. Two extraction procedures are studied: open air extraction at room temperature and Soxhlet exhaustive extraction. The additional yield is about 5% for a 2.5% acetic acid content in case of open air extraction and turns out to be 9% for 7.5% acetic acid content in the Soxhlet procedure. An analysis of the extracted oil shows a light increase of the acidity of oil. The improved yield may be attributed to the action of acetic acid on the decomposition of intercellular structures and binding of some polar lipids. The phospholipids content of oil extracted with 7.5% acidic hexane is found to be 25 times more than with pure hexane.

    El uso de hexano ácido como disolvente aumenta el rendimiento de aceite extraído de orujo de aceituna. Se han estudiado dos procedimientos de extracción: extracción al aire libre a temperatura ambiente y extracción exhaustiva en Soxhlet. En el caso de extracción al aire libre el rendimiento adicional es alrededor del 5% para un contenido del 2'5% en ácido acético y llega a ser en el procedimiento en Soxhlet del 9% para un contenido en ácido acético del 7'5%. Un análisis del aceite extraído mostró un ligero aumento de la acidez del aceite. La mejora del rendimiento puede ser atribuida a la acción del ácido acético sobre la descomposición de estructuras intercelulares y uniones de lípidos polares. Se ha encontrado que el contenido en fosfolípidos del aceite extraído con el 7*5% de hexano ácido es 25 veces mayor que con hexano puro.

  17. Changes of refractive indices in ternary mixtures containing chlorobenzene + n-hexane + (n-heptane or n-octane at 298.15 K

    Directory of Open Access Journals (Sweden)

    M. IGLESIAS

    2004-06-01

    Full Text Available The refractive indices of ternary mixtures of chlorobenzene + n-hexane + (n-heptane or n-octane have been measured at 298.15 K and at atmospheric pressure over the whole composition diagram. Parameters of polynomial equations which represent the composition dependence of physical and derived properties are gathered. The experimental refractive indices and the ternary derived properties are compared with the data obtained using several predictive semi-empirical models. The use of the Soave–Redlich–Kwong (SRK and the Peng–Robinson (PR cubic equations of state with the Van der Waals one-fluid mixing rule, which incorporate different combining rules to predict refractive indices on mixing, are tested against the measured results, good agrement being obtained.

  18. Fractionation of commercial hexane and use of its fractions as extracting solvent of cottonseed oil

    Directory of Open Access Journals (Sweden)

    Megahed, Ola A.

    2001-04-01

    Full Text Available The problem of producing off-graded cottonseed oil using locally produced commercial hexane as extracting solvent has explored this research. It was aimed in this work to investigate whether this problem can be solved by controlling the boiling range of the extracting solvent. Four different hexane fractions of different boiling ranges were prepared from commercial hexane. The boiling range of commercial hexane was 62-68ºC while the boiling ranges of the four fractions were 62- 64, 64-65, 65-66 and 66-68ºC. Commercial hexane and the prepared four hexane fractions were then used to extract cottonseed oil from a fixed seed sample. The five crude oil samples were then refined and bleached and their colours were measured. The results have shown that the heaviest hexane fraction ( b.r 66-68ºC produced the lightest coloured oils. The colour index of the bleached oil using this heavy cut was 190 compared to 350 using the original commercial hexane. However, the production of a commercial hexane cut having a narrow boiling range will be costly. Therefore, this research has been extended to investigate the suitability of a heavy petroleum cut which has a boiling range as wide as that of commercial hexane to extract cottonseed oil. The boiling range of this cut was 66-72ºC. The obtained results proved that the extraction of cottonseed oil using that heavy petroleum fraction produces much lighter oil than the use of conventional hexane solvent.En esta investigación se ha examinado el problema de producir aceite de semilla de algodón sin-clasificar usando hexano comercial producido localmente como disolvente. El objetivo de este trabajo fue investigar si este problema puede ser solucionado controlando el rango de ebullición del disolvente extractante. Cuatro fracciones diferentes de hexano de diversos rangos de ebullición fueron preparadas del hexano comercial. El rango al que ebullía el hexano comercial era 62-68ºC mientras que los

  19. Acetoin catabolism and acetylbutanediol formation by Bacillus pumilus in a chemically defined medium.

    Directory of Open Access Journals (Sweden)

    Zijun Xiao

    Full Text Available BACKGROUND: Most low molecular diols are highly water-soluble, hygroscopic, and reactive with many organic compounds. In the past decades, microbial research to produce diols, e.g. 1,3-propanediol and 2,3-butanediol, were considerably expanded due to their versatile usages especially in polymer synthesis and as possible alternatives to fossil based feedstocks from the bioconversion of renewable natural resources. This study aimed to provide a new way for bacterial production of an acetylated diol, i.e. acetylbutanediol (ABD, 3,4-dihydroxy-3-methylpentan-2-one, by acetoin metabolism. METHODOLOGY/PRINCIPAL FINDINGS: When Bacillus pumilus ATCC 14884 was aerobically cultured in a chemically defined medium with acetoin as the sole carbon and energy source, ABD was produced and identified by gas chromatography--chemical ionization mass spectrometry and NMR spectroscopy. CONCLUSIONS/SIGNIFICANCE: Although the key enzyme leading to ABD from acetoin has not been identified yet at this stage, this study proposed a new metabolic pathawy to produce ABD in vivo from using renewable resources--in this case acetoin, which could be reproduced from glucose in this study--making it the first facility in the world to prepare this new bio-based diol product.

  20. Temperature-dependent mid-IR absorption spectra of gaseous hydrocarbons

    International Nuclear Information System (INIS)

    Klingbeil, Adam E.; Jeffries, Jay B.; Hanson, Ronald K.

    2007-01-01

    Quantitative mid-IR absorption spectra (2500-3400 cm -1 ) for 12 pure hydrocarbon compounds are measured at temperatures ranging from 25 to 500 deg. C using an FTIR spectrometer. The hydrocarbons studied are n-pentane, n-heptane, n-dodecane, 2,2,4-trimethyl-pentane (iso-octane), 2-methyl-butane, 2-methyl-pentane, 2,4,4-trimethyl-1-pentene, 2-methyl-2-butene, propene, toluene, m-xylene, and ethylbenzene. Room-temperature measurements of neat hydrocarbon vapor were made with an instrument resolution of both 0.1 and 1 cm -1 (FWHM) to confirm that the high-resolution setting was required only to resolve the propene absorption spectrum while the spectra of the other hydrocarbons could be resolved with 1 cm -1 resolution. High-resolution (0.1 cm -1 ), room-temperature measurements of neat hydrocarbons were made at low pressure (∼1 Torr, 133 Pa) and compared to measurements of hydrocarbon/N 2 mixtures at atmospheric pressure to verify that no pressure broadening could be observed over this pressure range. The temperature was varied between 25 and 500 o C for atmospheric-pressure measurements of hydrocarbon/N 2 mixtures (X hydrocarbon ∼0.06-1.5%) and it was found that the absorption cross section shows simple temperature-dependent behavior for a fixed wavelength over this temperature range. Comparisons with previous FTIR data over a limited temperature range and with high-resolution laser absorption data over a wide temperature range show good agreement

  1. n-HEXANE NEUROPATHY DUE TO SHOEMAKING: REPORT OF FIVE CASES

    Directory of Open Access Journals (Sweden)

    K. Sadeghniat

    2005-04-01

    Full Text Available n-hexane neuropathy has been described after glue sniffing and industrial exposure. Onset may be subacute and reminiscent of Guillain-Barre' syndrome. Five patients (15-18 years old presented with paresthesia, severe weakness of the extremities particularly lower extremities, as well as muscular atrophy, total areflexia and gait disturbances were admitted in hospital in March 2003. All of these boys were workers of a small footwear production unit. They worked as gluers of leather pieces. Nerve conduction velocity studies showed latency prolongation and cerebrospinal fluid (CSF analysis showed normal protein. In the workplace assessment, it was found that hexacarbone-containing adhesives were used in an inappropriate ventilated place and without any personal protective devices. These patients were re-examined 8 months later. Sensory and autonomic symptoms were alleviated but two of them still had gait disturbance and decreased reflexes.

  2. Evaluation of (vapor + liquid) equilibria for the binary systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol compositions

    International Nuclear Information System (INIS)

    Ovejero, Gabriel; Dolores Romero, M.; Diez, Eduardo; Lopes, Tania; Diaz, Ismael

    2008-01-01

    Isobaric (vapor + liquid) equilibrium at p = 101.32 kPa of pressure has been determined for the systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol mole fractions. These data were satisfactorily correlated, using ASPEN PLUS commercial software, with Wilson, NRTL, and UNIQUAC activity coefficient models to obtain the binary interaction parameters of both mixtures. Also, UNIFAC group contribution method was employed to predict the equilibrium of both mixtures. With regression values an accurate knowledge of (vapor + liquid) equilibrium for both mixtures can be reached in a range of 1-octanol mole fractions less than 0.1. UNIFAC method provides acceptable results for (1-octanol + n-hexane) system but not for (1-octanol + cyclohexane) system

  3. Evaluation of (vapor + liquid) equilibria for the binary systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol compositions

    Energy Technology Data Exchange (ETDEWEB)

    Ovejero, Gabriel [Grupo de Catalisis y Procesos de Separacion (CyPS), Departamento de Ingenieria Quimica, Facultad de C. Quimicas, Universidsad Complutense de Madrid, Avda. Complutense s/n, 28040 Madrid (Spain)], E-mail: govejero@quim.ucm.es; Dolores Romero, M.; Diez, Eduardo; Lopes, Tania; Diaz, Ismael [Grupo de Catalisis y Procesos de Separacion (CyPS), Departamento de Ingenieria Quimica, Facultad de C. Quimicas, Universidsad Complutense de Madrid, Avda. Complutense s/n, 28040 Madrid (Spain)

    2008-11-15

    Isobaric (vapor + liquid) equilibrium at p = 101.32 kPa of pressure has been determined for the systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol mole fractions. These data were satisfactorily correlated, using ASPEN PLUS commercial software, with Wilson, NRTL, and UNIQUAC activity coefficient models to obtain the binary interaction parameters of both mixtures. Also, UNIFAC group contribution method was employed to predict the equilibrium of both mixtures. With regression values an accurate knowledge of (vapor + liquid) equilibrium for both mixtures can be reached in a range of 1-octanol mole fractions less than 0.1. UNIFAC method provides acceptable results for (1-octanol + n-hexane) system but not for (1-octanol + cyclohexane) system.

  4. The fluorescence action spectra of some saturated hydrocarbon liquids for excitation energies above and below their ionization thresholds

    International Nuclear Information System (INIS)

    Ostafin, A.E.; Lipsky, S.

    1993-01-01

    Fluorescence action spectra have been obtained for the neat liquids, cis-decalin, trans-decalin, bicyclohexyl, cyclohexane, methylcyclohexane, isobutylcyclohexane, 2,3,4-trimethylpentane, 2,3-dimethylbutane, 3-methylhexane, 3-methylpentane, n-decane, n-dodecane, and n-pentadecane at excitation energies, ε, ranging from their absorption onsets (at ca. 7 eV) to 10.3 eV. For all compounds, with the exception of cis-decalin, the fluorescence quantum yield is observed to monotonically decline with increasing ε, reaching a minimum value at an energy, ε m (a few tenths of an eV above the liquid phase ionization threshold, ε l ) followed by a slow increase. In the case of cis-decalin, the fluorescence quantum yield remains constant over the entire range of excitation energies studied, permitting its use as a quantum counter replacing the standard sodium salicylate, at least over a spectral range from 185 to 120 nm. The recovery of the fluorescence quantum yield for ε>ε m is attributed to an increasing probability for electron ejection followed by e - +RH + geminate recombination, to produce an excited state of RH with energy less than ε l . From a simple analysis of the action spectrum, a lower bound estimate of the electron ejection probability, φ ± , is obtained as a function of ε. In the case of cyclohexane, where φ ± has been obtained by other techniques at ε congruent 10 eV, the lower bound estimate agrees with the experimental value. From this agreement, arguments are presented to make plausible the conjecture that in all these liquids, the initially produced e - +RH + geminate ion pair first rapidly internally converts to an ion-pair state ca

  5. Acquired Color Vision Defects and Hexane Exposure: A Study of San Francisco Bay Area Automotive Mechanics.

    Science.gov (United States)

    Beckman, Stella; Eisen, Ellen A; Bates, Michael N; Liu, Sa; Haegerstrom-Portnoy, Gunilla; Hammond, S Katharine

    2016-06-01

    Occupational exposure to solvents, including n-hexane, has been associated with acquired color vision defects. Blue-yellow defects are most common and may be due to neurotoxicity or retinal damage. Acetone may potentiate the neurotoxicity of n-hexane. We present results on nonhexane solvent and hexane exposure and color vision from a cross-sectional study of 835 automotive repair workers in the San Francisco Bay Area, California (2007-2013). Cumulative exposure was estimated from self-reported work history, and color vision was assessed using the Lanthony desaturated D-15 panel test. Log-binomial regression was used to estimate prevalence ratios for color vision defects. Acquired color vision defects were present in 29% of participants, of which 70% were blue-yellow. Elevated prevalence ratios were found for nonhexane solvent exposure, with a maximum of 1.31 (95% confidence interval (CI): 0.86, 2.00) for blue-yellow. Among participants aged ≤50 years, the prevalence ratio for blue-yellow defects was 2.17 (95% CI: 1.03, 4.56) in the highest quartile of nonhexane solvent exposure and 1.62 (95% CI: 0.97, 2.72) in the highest category of exposure to hexane with acetone coexposure. Cumulative exposures to hexane and nonhexane solvents in the highest exposure categories were associated with elevated prevalence ratios for color vision defects in younger participants. © The Author 2016. Published by Oxford University Press on behalf of the Johns Hopkins Bloomberg School of Public Health. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  6. Response surface optimization for the transesterification of karanja oil using immobilized whole cells of Rhizopus oryzae in n-hexane system

    Energy Technology Data Exchange (ETDEWEB)

    Ganesan, Devanesan; Rajendran, Aravindan; Thangavelu, Viruthagiri [Annamalai University, Department of Chemical Engineering, Faculty of Engineering and Technology, Biochemical Engineering Laboratory, Annamalai Nagar, Tamil Nadu (India)

    2012-03-15

    Non-edible oils represent one of the most viable alternative feed stocks for the production of large volumes of biodiesel at cheaper cost in tropical countries. The objective of the present study is to investigate the ability of the immobilized whole cells of Rhizopus oryzae MTCC 262 to catalyze the biodiesel production from karanja oil in n-hexane system. Response surface methodology was employed to evaluate the effects of synthesis parameters, such as molar ratio of oil to alcohol, reaction temperature and reaction time on percentage biodiesel (methyl esters) yield. Transesterification was performed in shake flasks containing immobilized cells in the reaction mixture with 10% oil weight of n-hexane. The quadratic effects of molar ratio of oil to alcohol and reaction time proved to be the significant at 1% and 5% levels, respectively. The optimum synthesis conditions were found to be: molar ratio of oil to alcohol 1:2.73, reaction temperature 41.39 C and reaction time 73.97 h. Biodiesel yield (methyl ester) was 75.98 (wt.%) under the optimal conditions and the subsequent verification experiments with biodiesel yield of 78.0 (wt.%) confirmed the validity of the proposed model. (orig.)

  7. The n-hexane and chloroform fractions of Piper betle L. trigger different arms of immune responses in BALB/c mice and exhibit antifilarial activity against human lymphatic filarid Brugia malayi.

    Science.gov (United States)

    Singh, Meghna; Shakya, Shilpy; Soni, Vishal Kumar; Dangi, Anil; Kumar, Nikhil; Bhattacharya, Shailja-Misra

    2009-06-01

    Modulation of immune functions by using herbal plants and their products has become fundamental regime of therapeutic approach. Piper betle Linn. (Piperaceae) is a widely distributed plant in the tropical and subtropical regions of the world and has been attributed as traditional herbal remedy for many diseases. We have recently reported the antifilarial and antileishmanial efficacy in the leaf extract of Bangla Mahoba landrace of P. betle which is a female plant. The present report describes the in vivo immunomodulatory efficacy of the crude methanolic extract and its n-hexane, chloroform, n-butanol fractions of the female plant at various dose levels ranging between 0.3 and 500 mg/kg in BALB/c. Attempts were also made to observe antifilarial activity of the active extracts and correlate it with the antigen specific immune responses in another rodent Mastomys coucha infected with human lymphatic filarial parasite Brugia malayi. The crude methanol extract and n-hexane fraction were found to potentiate significant (p<0.001) enhancement of both humoral (plaque forming cells, hemagglutination titre) as well as cell-mediated (lymphoproliferation, macrophage activation, delayed type hypersensitivity) immune responses in mice. The flow cytometric analysis of splenocytes of treated mice indicated enhanced population of T-cells (CD4(+), CD8(+)) and B-cells (CD19(+)). The n-hexane fraction (3 mg/kg) was found to induce biased type 2 cytokine response as revealed by increased IL-4(+) and decreased IFN-gamma(+) T-cell population while the chloroform fraction (10 mg/kg) produced a predominant type 1 cytokines. Crude methanolic extract (100 mg/kg) demonstrated a mixed type 1 and type 2 cytokine responses thus suggesting a remarkable immunomodulatory property in this plant. The induction of differential T-helper cell immune response appears ideal to overcome immunosuppression as observed in case of lymphatic, filarial Brugia malayi infection which may also be extended to other

  8. Infrared reflection absorption spectroscopy study of radiation-heterogeneous processes in the system of aluminum-hexane

    International Nuclear Information System (INIS)

    Gadzhieva, N.N.; Rimikhanova, A.N.; Garibov, A.A.

    2004-01-01

    , 825, 900 and 950 cm -1 concern to pendulum oscillations of (CH 2 ) n , where n 2 increase, and the decomposition of hexane on the aluminum surface is going to happen at D=20kGy. The possible mechanisms of processes were proposed. It shown possibility in using of results got in radiation cleaning of water, polluted with oil products, which offers a special importance in radioecology

  9. Crystal structure of the formal 20 electron zirconocene pentafulvene complex Cp2Zr(η5,η1-adamantylidenepentafulvene:toluene:n-hexane = 1:0.125:0.125

    Directory of Open Access Journals (Sweden)

    Malte Fischer

    2017-12-01

    Full Text Available The crystal structure of a solvated zirconocene pentafulvene complex with a bulky adamantylidene substitution pattern, namely (η5,η1-adamantylidenepentafulvenebis(η5-cyclopentadienylzirconium(IV–toluene–n-hexane (8/1/1, [Zr(C15H18(C5H52]·0.125C7H8·0.125C6H14, is reported. Reducing zirconocene dichloride with magnesium results in the formation of a low-valent zirconocene reagent that reacts readily with adamantylidenepentafulvene to give the aforementioned complex. Single crystal X-ray diffraction proves the dianion-like η5:η1 binding mode of the fulvene ligand to the central ZrIV atom. The asymmetric unit contains four independent molecules of [η5:η1-adamantylidenepentafulvene]bis[(η5-cyclopentadienyl]zirconium(IV, together with half a molecule of toluene disordered with half a molecule of n-hexane (the solvent molecules have no direct influence on the complex. In each of the four complex molecules, the central ZrIV atom has a distorted tetrahedral coordination environment. The measured crystal consisted of two domains with a refined ratio of 0.77:0.23.

  10. The oxidation of 2,2,5-three methyl-6-spiro cyclo hexane di hydro pyranol-5(X CI)

    International Nuclear Information System (INIS)

    Nikitin, V.I.

    1961-01-01

    In this chapter of book author as a result of oxidation of 2,2,5-three methyl-6-spiro cyclo hexane di hydro pyranol-5 evolved acetone, cyclopentanone, formic acid, acetic acid, oxalic acid, α-oxi isobutyric acid and adipinic acids

  11. The uranium(VI) oxoazides [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN], [(bipy){sub 2}(UO{sub 2}){sub 2}(N{sub 3}){sub 4}], [(bipy)UO{sub 2}(N{sub 3}){sub 3}]{sup -}, [UO{sub 2}(N{sub 3}){sub 4}]{sup 2-}, and [(UO{sub 2}){sub 2}(N{sub 3}){sub 8}]{sup 4-}

    Energy Technology Data Exchange (ETDEWEB)

    Haiges, Ralf; Christe, Karl O. [Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, Los Angeles, CA (United States); Vasiliu, Monica; Dixon, David A. [Department of Chemistry, The University of Alabama, Tuscaloosa, AL (United States)

    2017-01-12

    The reaction between [UO{sub 2}F{sub 2}] and an excess of Me{sub 3}SiN{sub 3} in acetonitrile solution results in fluoride-azide exchange and the uranium(VI) dioxodiazide adduct [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN] was isolated in quantitative yield. The subsequent reaction of [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN] with 2,2{sup '}-bipyridine (bipy) resulted in the formation of the azido-bridged binuclear complex [(bipy){sub 2}(UO{sub 2}){sub 2}(N{sub 3}){sub 4}]. The triazido anion [(bipy)UO{sub 2}(N{sub 3}){sub 3}]{sup -} was obtained by the reaction of [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN] with stoichiometric amounts of bipy and the ionic azide [PPh{sub 4}][N{sub 3}]. The reaction of [UO{sub 2}(N{sub 3}){sub 2}] with two equivalents of the [PPh{sub 4}][N{sub 3}] resulted in the formation of the mononuclear tetraazido anion [UO{sub 2}(N{sub 3}){sub 4}]{sup 2-} as well as the azido-bridged binuclear anion [(UO{sub 2}){sub 2}(N{sub 3}){sub 8}]{sup 4-}. The novel uranium oxoazides were characterized by their vibrational spectra and in the case of [(bipy){sub 2}(UO{sub 2}){sub 2}(N{sub 3}){sub 4}].CH{sub 3}CN, [PPh{sub 4}][(bipy)UO{sub 2}(N{sub 3}){sub 3}], [PPh{sub 4}]{sub 2}[UO{sub 2}(N{sub 3}){sub 4}], [PPh{sub 4}]{sub 2}[UO{sub 2}(N{sub 3}){sub 4}].2CH{sub 3}CN, and [PPh{sub 4}]{sub 4}[(UO{sub 2}){sub 2}(N{sub 3}){sub 8}].4CH{sub 3}CN by their X-ray crystal structures. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Evaluation of the key aroma compounds in beef and pork vegetable gravies a la chef by stable isotope dilution assays and aroma recombination experiments.

    Science.gov (United States)

    Christlbauer, Monika; Schieberle, Peter

    2011-12-28

    Although the aroma compounds of meat processed as such have been studied previously, data on complete homemade dishes containing beef and pork meat were scarcely studied. Recently, 38 odor-active compounds were characterized in beef and pork vegetable gravies using GC-olfactometry. In the present investigation, the most odor-active compounds were quantitated in a freshly prepared stewed beef vegetable gravy (BVG) as well as a stewed pork vegetable gravy (PVG) by means of stable isotope dilution assays. Calculation of odor activity values (OAVs; ratio of concentration to odor threshold) revealed 3-mercapto-2-methylpentan-1-ol, (E,E)-2,4-decadienal, (E,Z)-2,6-nonadienal, (E)-2-decenal, (E)-2-undecanal, and 3-hydroxy-4,5-dimethyl-2(5H)-furanone as the most potent odorants in both gravies. However, significantly different OAVs were found for 12-methyltridecanal, which was much higher in the BVG, whereas (E,Z)-2,4-decadienal showed a clearly higher OAV in the PVG. Aroma recombination experiments performed on the basis of the actual concentrations of the odorants in both gravies revealed a good similarity of the aromas of both model mixtures containing all odorants with OAVs > 1 with those of the original gravies.

  13. Thermotropic phase transition in an adsorbed melissic acid film at the n-hexane-water interface

    Science.gov (United States)

    Tikhonov, A. M.

    2017-06-01

    A reversible thermotropic phase transition in an adsorption melissic acid film at the interface between n-hexane and an aqueous solution of potassium hydroxide (pH ≈ 10) is investigated by X-ray reflectometry and diffuse scattering using synchrotron radiation. The experimental data indicate that the interface "freezing" transition is accompanied not only by the crystallization of the Gibbs monolayer but also by the formation of a planar smectic structure in the 300-Å-thick adsorption film; this structure is formed by 50-Å-thick layers.

  14. Spectacular Rate Enhancement of the Diels-Alder Reaction at the Ionic Liquid/n-Hexane Interface.

    Science.gov (United States)

    Beniwal, Vijay; Manna, Arpan; Kumar, Anil

    2016-07-04

    The use of the ionic liquid/n-hexane interface as a new class of reaction medium for the Diels-Alder reaction gives large rate enhancements of the order of 10(6) to 10(8) times and high stereoselectivity, as compared to homogeneous media. The rate enhancement is attributed to the H-bonding abilities and polarities of the ionic liquids, whereas the hydrophobicity of ionic liquids was considered to be the factor in controlling stereoselectivity. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Influence of activated carbon characteristics on toluene and hexane adsorption: Application of surface response methodology

    Science.gov (United States)

    Izquierdo, Mª Teresa; de Yuso, Alicia Martínez; Valenciano, Raquel; Rubio, Begoña; Pino, Mª Rosa

    2013-01-01

    The objective of this study was to evaluate the adsorption capacity of toluene and hexane over activated carbons prepared according an experimental design, considering as variables the activation temperature, the impregnation ratio and the activation time. The response surface methodology was applied to optimize the adsorption capacity of the carbons regarding the preparation conditions that determine the physicochemical characteristics of the activated carbons. The methodology of preparation produced activated carbons with surface areas and micropore volumes as high as 1128 m2/g and 0.52 cm3/g, respectively. Moreover, the activated carbons exhibit mesoporosity, ranging from 64.6% to 89.1% the percentage of microporosity. The surface chemistry was characterized by TPD, FTIR and acid-base titration obtaining different values of surface groups from the different techniques because the limitation of each technique, but obtaining similar trends for the activated carbons studied. The exhaustive characterization of the activated carbons allows to state that the measured surface area does not explain the adsorption capacity for either toluene or n-hexane. On the other hand, the surface chemistry does not explain the adsorption results either. A compromise between physical and chemical characteristics can be obtained from the appropriate activation conditions, and the response surface methodology gives the optimal activated carbon to maximize adsorption capacity. Low activation temperature, intermediate impregnation ratio lead to high toluene and n-hexane adsorption capacities depending on the activation time, which a determining factor to maximize toluene adsorption.

  16. Gas barrier properties of hydrogenated amorphous carbon films coated on polyethylene terephthalate by plasma polymerization in argon/n-hexane gas mixture

    Energy Technology Data Exchange (ETDEWEB)

    Polonskyi, Oleksandr; Kylián, Ondřej, E-mail: ondrej.kylian@gmail.com; Petr, Martin; Choukourov, Andrei; Hanuš, Jan; Biederman, Hynek

    2013-07-01

    Hydrogenated amorphous carbon thin films were deposited by RF plasma polymerization in argon/n-hexane gas mixture on polyethylene terephthalate (PET) foils. It was found that such deposited films may significantly improve the barrier properties of PET. It was demonstrated that the principal parameter that influences barrier properties of such deposited films towards oxygen and water vapor is the density of the coatings. Moreover, it was shown that for achieving good barrier properties it is advantageous to deposit coatings with very low thickness. According to the presented results, optimal thickness of the coating should not be higher than several tens of nm. - Highlights: • a-C:H films were prepared by plasma polymerization in Ar/n-hexane atmosphere. • Barrier properties of coatings are dependent on their density and thickness. • Highest barrier properties were observed for films with thickness 15 nm.

  17. First observation of alkyne radical anions by electron spin resonance spectroscopy: Hexyne/n-hexane mixed crystals

    International Nuclear Information System (INIS)

    Matsuura, K.; Muto, H.

    1991-01-01

    The radical anions of alkynes have been first observed by electron spin resonance spectroscopy following alkene anions previously studied. Hexyne radical anions were formed in 1-, 2-, or 3-hexyne/n--hexane mixed crystals irradiated at 4.2 or 77 K. The characters of the anions were as follows; (a) the α-proton hyperfine coupling is very large (∼4.5 mT for the 1-hexyne anion), (b) the β-proton couplings are very small (∼1.0 mT for C--H β proton with the conformational angle of 0 degree), and (c) the radicals show a negative g shift (2.0014). From these observations, it was found that the anions have a nonlinear(bent) molecule structure in the anticonfiguration (trans C--C≡C--C) with the bend angle ∼60 degree, and that the unpaired electron orbital is approximately composed of the anticombination of the sp 2 hybrid orbitals of the C≡C carbon atoms. A discussion based on complete neglect of differential overlap (CNDO) molecular orbital (MO) calculations was given for the observed negative g shift, which was shown to be characteristic of the alkyne anions which have a high-lying unpaired electron orbital and an antibonding 2p--2p π carbon orbital just above it on the upper energy side

  18. (Liquid + liquid) equilibrium for binary systems of N-formylmorpholine with alkanes

    International Nuclear Information System (INIS)

    Wang Zhengrong; Xia Shuqian; Ma Peisheng; Liu Tao; Han Kewei

    2012-01-01

    Highlights: ► The LLE data of four binary systems containing N-formylmorpholine were measured. ► Both NRTL and UNIQUAC models can fit the experimental data well. ► The new group interaction parameters of UNIFAC (Do) were regressed from the LLE data. ► The estimated result shows that the group interaction parameters and methods are reliable. - Abstract: (Liquid + liquid) equilibrium (LLE) data were determined for four binary systems containing N-formylmorpholine (NFM) and alkanes (3-methylpentane, heptane, nonane, and 2,2,4-trimethylpentane) over the temperature range from around 300 K to near 420 K using a set of newly designed equilibrium equipment. The compositions of both light and heavy phases were analyzed by gas chromatography. The mutual solubility increased as the temperature increased for all these systems. The binary (liquid + liquid) equilibrium data were correlated by the NRTL and UNIQUAC equations with temperature-dependent parameters. Both models correlate the experimental results well. Furthermore, the UNIFAC (Do) group contribution model was used to correlate and estimate the LLE data for NFM containing systems. Two methods of group division for NFM were used. NFM is treated as a single group: NFM group (method I) or divided into two groups: CHO and C 4 H 8 NO (method II), respectively. The group interaction parameters for CH 2 –NFM, or CH 2 –CHO and CH 2 –C 4 H 8 NO were fitted from the experimental LLE data. The UNIFAC (Do) model correlates the experimental data well. In addition, in order to develop UNIFAC (Do) group contribution model to estimate the LLE data of (NFM + cycloalkane) systems, some literature LLE data were used. The group interaction parameters for c-CH 2 –NFM, c-CH 2 –CHO and c-CH 2 –C 4 H 8 NO were correlated. Then these group interaction parameters were used to estimate the phase equilibrium data of binary systems in the literature by the UNIFAC (Do) model. The results showed that the estimated values are in

  19. Qualitative analysis of hexane flour extract of spelt

    Directory of Open Access Journals (Sweden)

    Vujić Đura N.

    2013-01-01

    Full Text Available Gas chromatography with mass spectrometry (GC-MS was used for performing a qualitative analysis of the hexane flour extract of three samples of spelt. All the three samples were first treated with hexane and the obtained extracts were used for the analysis of the fatty acid lipid components. The transesterification reaction was performed using TMSH (trimethylsulfonium hydroxide, 0.2M in methanol, and the fatty acids were esterified from acylglycerol to methyl-esters. In all analyzed extracts, the predominant component was methyl linoleate, followed by methyl oleate and methyl palmitate. The subsequent tests, performed by cluster analysis, were used to compare the hexane flour extracts of different types of spelt. [Projekat Ministarstva nauke Republike Srbije, br. III46005 i br. TR 31066

  20. Effect of Enhanced Accessibility of Acid Sites in Micromesoporous Mordenite Zeolites on Hydroisomerization of n-Hexane

    Czech Academy of Sciences Publication Activity Database

    Pastvová, Jana; Kaucký, Dalibor; Morávková, Jaroslava; Rathouský, Jiří; Sklenák, Štěpán; Vorokhta, Maryna; Brabec, Libor; Pilař, Radim; Jakubec, Ivo; Tabor, Edyta; Klein, Petr; Sazama, Petr

    2017-01-01

    Roč. 7, č. 9 (2017), s. 5781-5795 ISSN 2155-5435 R&D Projects: GA ČR GA15-12113S; GA MŠk(CZ) LM2015073 Institutional support: RVO:61388955 ; RVO:61388980 ; RVO:67985891 Keywords : micromesoporous mordenite (MOR) zeolites * isomerization * n-hexane Subject RIV: CF - Physical ; Theoretical Chemistry; CA - Inorganic Chemistry (UACH-T); CA - Inorganic Chemistry (USMH-B) OBOR OECD: Physical chemistry; Inorganic and nuclear chemistry (UACH-T); Inorganic and nuclear chemistry (USMH-B) Impact factor: 10.614, year: 2016

  1. Diazadienes in chemistry of lanthanides: latest view on old ligands. Synthesis, structure and properties of complexes {[(R)CNC6H3Pr2i]2}Lu(THF)2(μ-Cl)2Li(THF2 (R=CH3, CH2)

    International Nuclear Information System (INIS)

    Makhrova, T.V.; Fukin, G.K.; Cherkasov, A.V.; Trifonov, A.A.

    2008-01-01

    Reaction of dianion derivative [DADLi 2 ] (DAD -1,4-bis(2,6-diisopropylphenyl)-2,3-dimethyl-1,4-diaza-1,3-butadiene) prepared in situ by the reduction of corresponding DAD by the excess of metal lithium in THF with anhydrous LuCl 3 (1:1) results in the formation of the metal cyclic complex {[(R)CNC 6 H 3 Pr 2 i ] 2 }Lu(THF) 2 (μ-Cl) 2 Li(THF) 2 (1) containing the fragment N-C(Me)=C(Me)-N. DAD Treatment by two equivalents BuLi in the mixture ether-hexane (20 Deg C) results in the activation of the C-H bond of methyl substitutes at imine carbon. By the reaction of dilithium derivative [DAD - 2 H Li 2 ] formed in situ with LuCl 3 in THF the complex {[(CH 2 )CNC 6 H 3 Pr 2 i ] 2 }Lu(THF) 2 (μ-Cl) 2 Li(THF) 2 (2) with diamide ligand N-C(=CH 2 )-C(=CH 2 )-N was prepared. Structures of 1 and 2 complexes have been established by X-ray structure analysis [ru

  2. Synthesis of highly reactive polyisobutylene catalyzed by EtAlCl 2/Bis(2-chloroethyl) ether soluble complex in hexanes

    KAUST Repository

    Kumar, Rajeev Ananda; Zheng, Bin; Huang, Kuo-Wei; Emert, Jack I.; Faust, Rudolf

    2014-01-01

    The polymerization of isobutylene (IB) to yield highly reactive polyisobutylene (HR PIB) with high exo-olefin content using GaCl3 or FeCl3·diisopropyl ether complexes has been previously reported.1 In an effort to further improve polymerization rates and exo-olefin content, we have studied ethylaluminum dichloride (EADC) complexes with diisopropyl ether, 2-chloroethyl ethyl ether (CEEE), and bis(2-chloroethyl) ether (CEE) as catalysts in conjunction with tert-butyl chloride as initiator in hexanes at different temperatures. All three complexes were readily soluble in hexanes. Polymerization, however, was only observed with CEE. At 0 °C polymerization was complete in 5 min at [t-BuCl] = [EADC·CEE] = 10 mM and resulted in PIB with ∼70% exo-olefin content. Studies on complexation using ATR FTIR and 1H NMR spectroscopy revealed that at 1:1 stoichiometry a small amount of EADC remains uncomplexed. By employing an excess of CEE, exo-olefin contents increased up to 90%, while polymerization rates decreased only slightly. With decreasing temperature, polymerization rates decreased while molecular weights as well as exo-olefin contents increased, suggesting that isomerization has a higher activation energy than β-proton abstraction. Density functional theory (DFT) studies on the Lewis acid·ether binding energies indicated a trend consistent with the polymerization results. The polymerization mechanism proposed previously for Lewis acid·ether complexes1 adequately explains all the findings. © 2014 American Chemical Society.

  3. Synthesis of highly reactive polyisobutylene catalyzed by EtAlCl 2/Bis(2-chloroethyl) ether soluble complex in hexanes

    KAUST Repository

    Kumar, Rajeev Ananda

    2014-03-25

    The polymerization of isobutylene (IB) to yield highly reactive polyisobutylene (HR PIB) with high exo-olefin content using GaCl3 or FeCl3·diisopropyl ether complexes has been previously reported.1 In an effort to further improve polymerization rates and exo-olefin content, we have studied ethylaluminum dichloride (EADC) complexes with diisopropyl ether, 2-chloroethyl ethyl ether (CEEE), and bis(2-chloroethyl) ether (CEE) as catalysts in conjunction with tert-butyl chloride as initiator in hexanes at different temperatures. All three complexes were readily soluble in hexanes. Polymerization, however, was only observed with CEE. At 0 °C polymerization was complete in 5 min at [t-BuCl] = [EADC·CEE] = 10 mM and resulted in PIB with ∼70% exo-olefin content. Studies on complexation using ATR FTIR and 1H NMR spectroscopy revealed that at 1:1 stoichiometry a small amount of EADC remains uncomplexed. By employing an excess of CEE, exo-olefin contents increased up to 90%, while polymerization rates decreased only slightly. With decreasing temperature, polymerization rates decreased while molecular weights as well as exo-olefin contents increased, suggesting that isomerization has a higher activation energy than β-proton abstraction. Density functional theory (DFT) studies on the Lewis acid·ether binding energies indicated a trend consistent with the polymerization results. The polymerization mechanism proposed previously for Lewis acid·ether complexes1 adequately explains all the findings. © 2014 American Chemical Society.

  4. icacy test of hexane extract of Annona squamosa L seeds for Chrysomya bezziana larvae growth in vitro

    Directory of Open Access Journals (Sweden)

    April H Wardhana

    2004-12-01

    Full Text Available Chrysomya bezziana is primer agent causing myiasis in livestock and human throughout Africa to Asia. At present, treatment of myiasis using chemical synthetic insecticide causing environment and livestock production contaminations. The aim of this study was to evaluate the effect of hexane extract of Annona squamosa L seed to kill C. bezziana as botanical insecticide. Three level and method preparation of larvae (L1, L2 and L3 were carried out. Meat blood mixture (MBM and larval rearing media (LRM were mixed with hexane extract of A. squamosa L seed and tested to 625 and 750 larvae (L1and L2 respectively, while for L3 625 larvae were soaked in the solution containing the hexane extract. This last preparation was carried out to observe the effect of toxic contact. Each larvae treatment was divided into 5 levels such as negative control using distillation water (PO, given 0.25% hexane extract (P I; 0.50% (P II; 0.75% (P III and positive control was given with 0.10% Asuntol®. This assay was to know digest toxic effect of hexane extract of A. squamosa L seed for those larvae. Number of 625 instar III larvae (L3 was soaked in the solution containing the hexane extract of A. squamosa L seed for 10 second, placed into vermicullite and incubated on 36oC. This assay was to know contact toxic effect of them. All of larvae were allowed to become pupae. Parameters oberserve were number of larvae death, pupae weight and number of pupae become into fly. The data was analyzed using Anova (5% and Z test (5% then smallest significant difference test (BNT 5%. The results showed that 0.50% of hexane extract of A. squamosa L seed was able to decrease pupae weight for L1 and L2 and to cause fail pupae become fly (P0.05.

  5. Hexane-1,6-diaminium bis[3,4,5,6-tetrachloro-2-(methoxycarbonylbenzoate

    Directory of Open Access Journals (Sweden)

    Jian Li

    2011-04-01

    Full Text Available In the anion of the title salt, C6H18N22+·2C9H3Cl4O4−, the methoxycarbonyl and carboxyl groups are aligned at dihedral angles of 71.0 (3 and 100.9 (3°, respectively, with the aromatic ring. The asymmetric unit contains half a cation and one anion. In the crystal, intermolecular N—H...O, C—H...Cl and C—H...O hydrogen bonds link the components into a three-dimensional network.

  6. Synthesis of the (N2)3- radical from Y2+ and its protonolysis reactivity to form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 reduction system.

    Science.gov (United States)

    Fang, Ming; Lee, David S; Ziller, Joseph W; Doedens, Robert J; Bates, Jefferson E; Furche, Filipp; Evans, William J

    2011-03-23

    Examination of the Y[N(SiMe(3))(2)](3)/KC(8) reduction system that allowed isolation of the (N(2))(3-) radical has led to the first evidence of Y(2+) in solution. The deep-blue solutions obtained from Y[N(SiMe(3))(2)](3) and KC(8) in THF at -35 °C under argon have EPR spectra containing a doublet at g(iso) = 1.976 with a 110 G hyperfine coupling constant. The solutions react with N(2) to generate (N(2))(2-) and (N(2))(3-) complexes {[(Me(3)Si)(2)N](2)(THF)Y}(2)(μ-η(2):η(2)-N(2)) (1) and {[(Me(3)Si)(2)N](2)(THF)Y}(2)(μ-η(2):η(2)-N(2))[K(THF)(6)] (2), respectively, and demonstrate that the Y[N(SiMe(3))(2)](3)/KC(8) reaction can proceed through an Y(2+) intermediate. The reactivity of (N(2))(3-) radical with proton sources was probed for the first time for comparison with the (N(2))(2-) and (N(2))(4-) chemistry. Complex 2 reacts with [Et(3)NH][BPh(4)] to form {[(Me(3)Si)(2)N](2)(THF)Y}(2)(μ-N(2)H(2)), the first lanthanide (N(2)H(2))(2-) complex derived from dinitrogen, as well as 1 as a byproduct, consistent with radical disproportionation reactivity.

  7. Hexane cracking over steamed phosphated zeolite H-ZSM-5 : Promotional effect on catalyst performance and stability

    NARCIS (Netherlands)

    Van Der Bij, Hendrik E.; Meirer, Florian; Kalirai, Samanbir; Wang, Jian; Weckhuysen, Bert M.

    2014-01-01

    The nature behind the promotional effect of phosphorus on the catalytic performance and hydrothermal stability of zeolite H-ZSM-5 has been studied using a combination of 27Al and 31P MAS NMR spectroscopy, soft X-ray absorption tomography and n-hexane catalytic cracking, complemented with NH3

  8. An analytical system for the measurement of stable hydrogen isotopes in ambient volatile organic compounds

    Science.gov (United States)

    Meisehen, T.; Bühler, F.; Koppmann, R.; Krebsbach, M.

    2015-10-01

    Stable isotope measurements in atmospheric volatile organic compounds (VOCs) are an excellent tool to analyse chemical and dynamical processes in the atmosphere. While up to now isotope studies of VOCs in ambient air have mainly focussed on carbon isotopes, we herein present a new measurement system to investigate hydrogen isotope ratios in atmospheric VOCs. This system, consisting of a gas chromatography pyrolysis isotope ratio mass spectrometer (GC-P-IRMS) and a pre-concentration system, was thoroughly characterised using a VOC test mixture. A precision of better than 9 ‰ (in δ 2H) is achieved for n-pentane, 2-methyl-1,3-butadiene (isoprene), n-heptane, 4-methyl-pentane-2-one (4-methyl-2-pentanone), methylbenzene (toluene), n-octane, ethylbenzene, m/p-xylene and 1,2,4-trimethylbenzene. A comparison with independent measurements via elemental analysis shows an accuracy of better than 9 ‰ for n-pentane, n-heptane, 4-methyl-2-pentanone, toluene and n-octane. Above a minimum required pre-concentrated compound mass the obtained δ 2H values are constant within the standard deviations. In addition, a remarkable influence of the pyrolysis process on the isotope ratios is found and discussed. Reliable measurements are only possible if the ceramic tube used for the pyrolysis is sufficiently conditioned, i.e. the inner surface is covered with a carbon layer. It is essential to verify this conditioning regularly and to renew it if required. Furthermore, influences of a necessary H3+ correction and the pyrolysis temperature on the isotope ratios are discussed. Finally, the applicability to measure hydrogen isotope ratios in VOCs at ambient levels is demonstrated with measurements of outside air on 5 different days in February and March 2015. The measured hydrogen isotope ratios range from -136 to -105 ‰ forn-pentane, from -86 to -63 ‰ for toluene, from -39 to -15 ‰ for ethylbenzene, from -99 to -68 ‰ for m/p-xylene and from -45 to -34 ‰ for o-xylene.

  9. Temperature-induced transition of the diffusion mechanism of n-hexane in ultra-thin polystyrene films, resolved by in-situ Spectroscopic Ellipsometry

    NARCIS (Netherlands)

    Ogieglo, Wojciech; Wormeester, Herbert; Wessling, Matthias; Benes, Nieck Edwin

    2013-01-01

    In-situ Spectroscopic Ellipsometry is used to study diffusion of liquid n-hexane in silicon wafer supported 150 nm thick polystyrene films, in the temperature range 16e28 C. In the higher part of this temperature range Case II diffusion is shown to be dominant. In this case the temporal evolution of

  10. Various characteristics of Ni and Pt-Al2O3 nano catalysts prepared by microwave method to be applied in some petrochemical processes

    International Nuclear Information System (INIS)

    Gobara, H.M.; Mohamed, A.R.S.; Khalil, F.H.; El-Shall, M.S.; Hassan, S.A.

    2014-01-01

    Alumina-supported metal nano catalysts were prepared via the microwave method, by loading nano Ni particles (at 1, 3 and 5 wt %) or nano Pt particles (at 0.3, 0.6 and 0.9 wt %). Structural and adsorption features of the nano catalysts were revealed through XRD, DSC- DTA, TEM, H 2 -chemisorption and N 2 -physisorption. N 2 -adsorption-desorption isotherms of type IV were related typically to meso porous materials with H 2 class of hysteresis loops characterizing ink bottle type of pores. The well dispersed nano-sized metal particles were evidenced in the studied catalytic systems, exhibiting marked thermal stability up to 800 degree C. The catalytic performances of different catalyst samples were assessed during cyclohexane, normal hexane and ethanol conversions, using the micro-catalytic pulse technique at different operating conditions. The 5% Ni-γAl 2 O 3 sample was found to be the most active in dehydration of ethanol to produce ethylene, as well as in n -hexane cracking. However, the 1% Ni-Al 2 O 3 sample showed the highest dehydrogenation activity for selective production of benzene from cyclohexane. On the other hand, the 0.9% Pt-γAl 2 O 3 sample exhibited the highest activity in the dehydration of ethanol and in the dehydrogenation of cyclohexane. The 0.3% Pt-γAl 2 O 3 sample was the most active in the dehydrocyclization of normal hexane, as compared to the other catalyst samples under study

  11. High-pressure (vapour + liquid) equilibria for ternary systems composed by {(E)-2-hexenal or hexanal + carbon dioxide + water}: Partition coefficient measurement

    International Nuclear Information System (INIS)

    Bejarano, Arturo; López, Pablo I.; Valle, José M. del; Fuente, Juan C. de la

    2015-01-01

    Highlights: • A new apparatus based on a static–analytic method was assembled in this work. • This work reports high-pressure VLE data of (E)-2-hexenal or hexanal + CO 2 + water. • Data includes (CO 2 + water) partition coefficients of (E)-2-hexenal and hexanal. • High separation factors from water (∼10 4 ) were found especially for (E)-2-hexenal. • The data were obtained at T = (313, 323, and 333) K and pressures from (8 to 19) MPa. - Abstract: A new apparatus based on a static–analytic method assembled in this work was utilised to perform high-pressure (vapour + liquid) equilibria measurements of aqueous ternary systems. This work includes values of isothermal partition coefficients between CO 2 and water of two apple aroma constituents, (E)-2-hexenal and hexanal. Additionally, this work reports new experimental (vapour + liquid) equilibria measurements for the ternary systems (CO 2 + (E)-2-hexenal + water) and (CO 2 + hexanal + water), at fixed liquid phase composition (600 mg · kg −1 ), at temperatures of (313, 323 and 333) K and at pressures from (8 to 19) MPa. Vapour liquid interphase was checked and monitored visually for all the systems studied in this work. No liquid immiscibility was observed at the composition, temperatures and pressures studied. In order to suggest reasonable operation conditions for fractionation of aromas with dense carbon dioxide, partition coefficients of the aroma compounds between CO 2 and water along with their separation factors from water were calculated. Partition coefficients of (E)-2-hexenal between CO 2 and water were in the range of (6 to 91) and where found to be near six times higher than those of hexanal (9 to 17). Very high separation factors from water were observed (∼10 4 ) especially for (E)-2-hexenal. The highest separation factor, for both compounds, was found at a temperature of 313 K and pressures from (12 to 14) MPa

  12. Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa

    International Nuclear Information System (INIS)

    Meneses, David A.; Bejarano, Arturo; Fuente, Juan C. de la

    2014-01-01

    Highlights: • Vapor pressures of three pure apple aroma constituents were measured. • Measurements were made over the temperature range of (362.1 to 429.9) K. • Constants of Antoine and Wagner type equations were fitted to the experimental data. • Relative deviations (rmsd) from the three vapor-pressure equations were <0.9%. • Contrast with literature showed discrepancies <9% among them and with this work. - Abstract: The saturated vapor pressures of pure ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal, which are volatile compounds characteristic of apple aroma, were measured with a dynamic recirculation apparatus at a pressure range of (24.5 to 190.0) kPa. Measurements were made over the temperature range of (362.1 to 429.9) K for ethyl-2-methylbutyrate, (358.1 to 425.8) K for hexanal, and (373.5 to 446.2) K for (E)-2-hexenal. The maximum likelihood method was used to estimate the parameters of the Antoine equation, whereas the parameters of an extended Antoine equation and the Wagner equation were determined by non linear least square method. The three models showed root mean square deviations (rmsd) of 0.29%, 0.28%, and 0.27% for ethyl-2-methylbutyrate, 0.58%, 0.48%, and 0.38% for hexanal, and 0.89%, 0.62% and 0.36% for (E)-2-hexenal, respectively. Additionally, the experimental data and correlation were compared with those available in the literature

  13. Various characteristics of Ni and Pt–Al2O3 nanocatalysts prepared by microwave method to be applied in some petrochemical processes

    Directory of Open Access Journals (Sweden)

    H.M. Gobara

    2014-03-01

    Full Text Available Alumina-supported metal nanocatalysts were prepared via the microwave method, by loading nano Ni particles (at 1, 3 and 5 wt% or nano Pt particles (at 0.3, 0.6 and 0.9 wt%. Structural and adsorption features of the nano catalysts were revealed through XRD, DSC-DTA, TEM, H2-chemisorption and N2-physisorption. N2-adsorption–desorption isotherms of type IV were related typically to mesoporous materials with H2 class of hysteresis loops characterizing ink bottle type of pores. The well dispersed nano-sized metal particles were evidenced in the studied catalytic systems, exhibiting marked thermal stability up to 800 °C. The catalytic performances of different catalyst samples were assessed during cyclohexane, normal hexane and ethanol conversions, using the micro-catalytic pulse technique at different operating conditions. The 5% Ni–γ–Al2O3 sample was found to be the most active in dehydration of ethanol to produce ethylene, as well as in n-hexane cracking. However, the 1% Ni–Al2O3 sample showed the highest dehydrogenation activity for selective production of benzene from cyclohexane. On the other hand, the 0.9% Pt–γ–Al2O3 sample exhibited the highest activity in the dehydration of ethanol and in the dehydrogenation of cyclohexane. The 0.3% Pt–γ–Al2O3 sample was the most active in the dehydrocyclization of normal hexane, as compared to the other catalyst samples under study.

  14. Synthesis of highly reactive polyisobutylene with FeCl3/ether complexes in hexane; kinetic and mechanistic studies

    KAUST Repository

    Kumar, Rajeev Ananda; De, Priyadarsi; Zheng, Bin; Huang, Kuo-Wei; Emert, Jack I.; Faust, Rudolf

    2015-01-01

    The kinetics and mechanism of the polymerization of isobutylene catalyzed by FeCl3·ether complexes in hexane at 0°C were investigated. The polymerization rates increased in the diisopropyl ether< 2-chloroethyl ethyl ether < bis(2-chloroethyl) ether order, attributed to electronic effects. The polymerization rates increased with increasing initiator and catalyst concentrations. The first order plots, however, deviated from the linear suggesting that the cation concentration decreases with time. The previously proposed mechanism is inadequate to explain this finding. The decrease in the polymerization rate with time is explained by the low solubility of the H+ROR′FeCl4 - complexes that precipitate during polymerization. Based on mechanistic studies the revised mechanism now also includes the equilibrium H+ROR′FeCl4 - ⇋ HCl + FeCl3·ROR′.

  15. Evaluation of mechanism for antihypertensive and vasorelaxant effects of hexanic and hydroalcoholic extracts of celery seed in normotensive and hypertensive rats

    Directory of Open Access Journals (Sweden)

    Faezeh Tashakori-Sabzevar

    Full Text Available ABSTRACT Celery (Apium graveolens L., Apiaceae is one of the popular aromatic vegetables and part of the daily diet around the world. In this study, aqueous-ethanolic and hexane extracts of celery seed were prepared and the amount of n-butylphthalide, as an active component, was determined in each extract. Then the effects of hexanic extract on systolic, diastolic, mean arterial blood pressure and heart rate were evaluated in an invasive rat model. The vasodilatory effect and possible mechanisms of above mentioned extracts on aorta ring were also measured. High performance liquid chromatography analysis revealed that hexanic extract contains significantly higher amounts of n-butylphthalide, compared to aqueous-ethanolic extract. The results indicated that hexanic extract significantly decreased the systolic, diastolic, mean arterial blood pressure and heart rate in normotensive and hypertensive rats. Our data revealed that celery seed extract exerts its hypotensive effects through its bradycardic and vasodilatory properties. Moreover, the active components in celery seed extracts could induce their vasodilatory properties through Ca2+ channel blocking activity in endothelial and non-endothelial pathways and particularly by interference with the extra or intracellular calcium.

  16. Emissions and photochemistry of oxygenated VOCs in urban plumes in the Northeastern United States

    Directory of Open Access Journals (Sweden)

    R. Sommariva

    2011-07-01

    Full Text Available Photochemical processes inside urban plumes in the Northeast of the United States have been studied using a highly detailed chemical model, based upon the Master Chemical Mechanism (MCM. The model results have been compared to measurements of oxygenated VOCs (acetone, methyl ethyl ketone, acetaldehyde, acetic acid and methanol obtained during several flights of the NOAA WP-3D aircraft, which sampled plumes from the New York City area during the ICARTT campaign in 2004. The agreement between the model and the measurements was within 40–60 % for all species, except acetic acid.

    The model results have been used to study the formation and photochemical evolution of acetone, methyl ethyl ketone and acetaldehyde. Under the conditions encountered during the ICARTT campaign, acetone is produced from the oxidation of propane (24–28 % and i-propanol (<15 % and from a number of products of i-pentane oxidation. Methyl ethyl ketone (MEK is mostly produced from the oxidation of n-butane (20–30 % and 3-methylpentane (<40 %. Acetaldehyde is formed from several precursors, mostly small alkenes, >C5 alkanes, propanal and MEK. Ethane and ethanol oxidation account, respectively, for 6–23 % and 5–25 % of acetaldehyde photochemical formation. The results highlight the importance of alkanes for the photochemical production of ketones and the role of hydroperoxides in sustaining their formation far from the emission sources.

  17. Molecular exchange of n-hexane in zeolite sieves studied by diffusion-diffusion and T{sub 1}-diffusion nuclear magnetic resonance exchange spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Neudert, Oliver; Stapf, Siegfried; Mattea, Carlos, E-mail: carlos.mattea@tu-ilmenau.de [Fachgebiet Technische Physik II/Polymerphysik, Institute of Physics, Technische Universitaet Ilmenau, PO Box 100 565, 98684 Ilmenau (Germany)

    2011-03-15

    Molecular exchange properties and diffusion of n-hexane embedded in a bimodal pore structure with characteristic length scales in the order of nano and micrometres, respectively, formed by packing of zeolite particles, are studied. Two-dimensional (2D) nuclear magnetic resonance (NMR) diffusion correlation experiments together with relaxation-diffusion correlation experiments are performed at low magnetic field using a single-sided NMR scanner. The exchange time covers a range from 10{sup -3} to 10{sup -1} s. The molecular exchange properties are modulated by transport inside the zeolite particles. Different exchange regimes are observed for molecules starting from different positions inside the porous sample. The influence of the spin-lattice relaxation properties of the fluid molecules inside the zeolite particles on the signal intensity is also studied. A Monte Carlo simulation of the exchange process is performed and is used to support the analysis of the experimental data.

  18. Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2.

    Science.gov (United States)

    Schaniel, Dominik; Woike, Theo; Delley, Bernard; Boskovic, Colette; Güdel, Hans-Ueli

    2008-09-28

    Photogeneration of side-on N2 linkage isomers in [Ru(NH3)5N2]2+ and [Os(NH3)5N2]2+ is achieved by irradiation with lambda = 325 nm of powder samples at T = 80 K and detected by the downshift of the nu(N-N) vibration and by the heat release at elevated temperature due to the back switching of the side-on configuration to the ground state. The concentration of the transferred molecules is evaluated by the decrease of the area of the nu(N-N) or 2nu(N-N) vibrational bands. All characteristic changes between the linear Ru-N-N and side-on configuration are predicted by DFT calculations: the structure of the anion, shifts of the vibrations, electronic excitation energy, energetic position and sequence of the electronic orbitals, the potentials of the ground and relaxed metastable state with the activation energy, saddle points and energetic position of the minimum.

  19. Phase-Transfer Energetics of Small-Molecule Alcohols Across the Water-Hexane Interface: Molecular Dynamics Simulation Using Charge Equilibration Models

    Science.gov (United States)

    Bauer, Brad A.; Zhong, Yang; Meninger, David J.; Davis, Joseph E.; Patel, Sandeep

    2010-01-01

    We study the water-hexane interface using molecular dynamics (MD) and polarizable charge equilibration (CHEQ) force fields. Bulk densities for TIP4P-FQ water and hexane, 1.0086±0.0002 g/cm3 and 0.6378±0.0001 g/cm3, demonstrate excellent agreement with experiment. Interfacial width and interfacial tension are consistent with previously reported values. The in-plane component of the dielectric permittivity (ε∥) for water is shown to decrease from 81.7±0.04 to unity, transitioning longitudinally from bulk water to bulk hexane. ε∥ for hexane reaches a maximum in the interface, but this term represents only a small contribution to the total dielectric constant (as expected for a non-polar species). Structurally, net orientations of the molecules arise in the interfacial region such that hexane lies slightly parallel to the interface and water reorients to maximize hydrogen bonding. Interfacial potentials due to contributions of the water and hexane are calculated to be -567.9±0.13mV and 198.7±0.01mV, respectively, giving rise to a total potential in agreement with the range of values reported from previous simulations of similar systems. Potentials of mean force (PMF) calculated for methanol, ethanol, and 1-propanol for the transfer from water to hexane indicate an interfacial free energy minimum, corresponding to the amphiphilic nature of the molecules. The magnitudes of transfer free energies were further characterized from the solvation free energies of alcohols in water and hexane using thermodynamic integration. This analysis shows that solvation free energies for alcohols in hexane are 0.2-0.3 kcal/mol too unfavorable, whereas solvation of alcohols in water is approximately 1 kcal/mol too favorable. For the pure hexane-water interfacial simulations, we observe a monotonic decrease of the water dipole moment to near-vacuum values. This suggests that the electrostatic component of the desolvation free energy is not as severe for polarizable models than

  20. Anticholinergic, antihistaminic, and antiserotonergic activity of n-hexane extract of Zanthoxylum alatum seeds on isolated tissue preparations: An ex vivo study.

    Science.gov (United States)

    Saikia, Beenita; Barua, Chandana Choudhury; Haloi, Prakash; Patowary, Pompy

    2017-01-01

    The aim of this study was to evaluate anticholinergic, antihistaminic, and antiserotonergic activity of the n-hexane extract of the seeds of Zanthoxylum alatum (ZAHE) on isolated ileum of rat and guinea pig and fundus of rat. ZAHE was prepared using soxhlet extraction and cumulative concentration response curves were constructed using various doses on the tissues for acetylcholine (ACh), 5-hydroxytryptamine (5-HT), and histamine with or without n-hexane extract. Atropine, ketanserin, and pheniramine maleate were used as antagonists for ACh, serotonin, and histamine, respectively. ZAHE-induced concentration-dependent inhibition of isolated ileum and fundus in rat and ileum of guinea pig. The half maximal effective concentration (EC 50 ) of ACh in the presence of atropine (10 -6 M; P pheniramine maleate (10 -6 M; P < 0.01) and ZAHE (300 μg/ml; P < 0.01 and 1000 μg/ml; P < 0.05) was also significantly higher than EC 50 of histamine alone. From the study, it was observed that ZAHE shows significant anticholinergic, antiserotonergic, and antihistaminic activity. The study provides sufficient evidence that the seeds can be used in gastric disorders, cough, chest infection, etc., as per folklore claims.

  1. Seed oil extraction from red prickly pear using hexane and supercritical CO2 : assessment of phenolic compound composition, antioxidant and antibacterial activities.

    Science.gov (United States)

    Koubaa, Mohamed; Mhemdi, Houcine; Barba, Francisco J; Angelotti, Armel; Bouaziz, Fatma; Chaabouni, Semia Ellouz; Vorobiev, Eugène

    2017-01-01

    Investigating Opuntia species for their seed oil content is of much importance owing to their potential use for food and in cosmetic applications. These oils have an important content in unsaturated fatty acids as well as antioxidant compounds (e.g. polyphenols, vitamin E), which have been associated with the prevention of some chronic diseases. Moreover, Opuntia stricta oils possess important antimicrobial activities. For instance, the main focus of this study was to compare the effectiveness of conventional (hexane extraction) and novel (supercritical (SC)-CO 2 ) extraction methods for the recovery of oil and phenolic compounds from O. stricta seeds. The oil yield of both extracts was then compared and the polyphenol content and composition of both extracts were determined by liquid chromatography-high-resolution mass spectrometry. Additionally, antioxidant (DPPH assay) and antimicrobial activities (disc diffusion method) of O. stricta seed oils were determined. The oil yield (based on Soxhlet's method) of O. stricta seeds was determined using SC-CO 2 (49.9 ± 2.2%), and hexane (49.0 ± 1.5%). Although obtaining similar oil extraction yields using the two methods, the extracted oil using SC-CO 2 was more enriched in polyphenols (172.2 ± 11.9 µg gallic acid equivalents (GAE) g -1 oil) than that extracted using hexane (76.0 ± 6.9 µg GAE g -1 of oil). Polyphenol profiles showed that the SC-CO 2 process led to the yield of more compounds (45) than that using hexane extraction (11). Moreover, the antioxidant and antimicrobial activities of SC-CO 2 extract showed a high percentage of inhibition. SC-CO 2 extraction of O. stricta seed oil led to extraction of oil with a similar yield to that with hexane extraction, but with higher polyphenol content. The extract containing polyphenols exhibited high antioxidant and antibacterial properties, demonstrating their great potential as feedstock for high-oil quality. © 2016 Society of Chemical Industry. © 2016 Society of

  2. Catalytic cracking of slack wax with molten mixtures containing aluminum chloride and bromide. [Wax obtained in the process of dewaxing lubricating oils

    Energy Technology Data Exchange (ETDEWEB)

    Ohtsuka, Y; Oizumi, K; Tamai, Y

    1983-09-01

    The catalytic cracking of slack wax with molten mixtures of AlCl/sub 3/ (aluminum chloride) and AlBr/sub 3/ (aluminum bromide) was investigated in an atmospheric semi-batch reactor at low temperatures of 100 to 160/sup 0/C. The cracking rate was proportional to the amount of unreacted wax. The conversion at 135/sup 0/C reached 25 wt % under typical reaction conditions. About 95 wt % of the cracking products consisted of isobutane, 2-methylbutane, and methylpentanes, ca. 50% of these isoparaffins being isobutane. The difference in cracking activity between this catalyst and a solid acid catalyst is discussed based on the product distribution. Hardly any reaction took place without HCl, which shows that the presence of HCl is essential for this cracking. The cracking rate increased sharply with an increase in the amount of the catalyst. The rate did not depend on the composition of the AlCl/sub 3//sup -/ AlBr/sub 3/ catalyst, but the product distribution did depend on it and the content of the gasoline fraction in the products increased with an increase in the concentration of AlBr/sub 3/. The cracking residue was characterized by IR and NMR spectroscopy. The results show that the cracking reaction probably occurs heterogeneously at the interface between the liquid wax and the molten catalyst. 3 figures, 4 tables.

  3. N=2 super - W3(2) algebra in superfields

    International Nuclear Information System (INIS)

    Krivonos, S.; Sorin, A.

    1995-05-01

    It is presented a manifestly N=2 supersymmetric formulation of N=2 super-W 3 (2) algebra (its classical version) in terms of the spin 1 unconstrained generating a N=2 superconformal subalgebra and the spins 1/2, 2 fermionic constrained supercurrents. It is considered a superfield reduction of N=2 super-W 3 (2) to N=2 super-W 3 and construct a family of evolution equations for which N=2 super-W 3 (2) provides the second Hamiltonian structure

  4. Crystal structures of N2,N3,N5,N6-tetrakis(pyridin-2-ylmethylpyrazine-2,3,5,6-tetracarboxamide and N2,N3,N5,N6-tetrakis(pyridin-4-ylmethylpyrazine-2,3,5,6-tetracarboxamide

    Directory of Open Access Journals (Sweden)

    Dilovan S. Cati

    2017-02-01

    Full Text Available The title compounds, C32H28N10O4· unknown solvent, (I, and C32H28N10O4, (II, are pyrazine-2,3,5,6-tetracarboxamide derivatives. In (I, the substituents are (pyridin-2-ylmethylcarboxamide, while in (II, the substituents are (pyridin-4-ylmethylcarboxamide. Both compounds crystallize in the monoclinic space group P21/n, with Z′ = 1 for (I, and Z′ = 0.5 for (II. The whole molecule of (II is generated by inversion symmetry, the pyrazine ring being situated about a center of inversion. In (I, the four pyridine rings are inclined to the pyrazine ring by 83.9 (2, 82.16 (18, 82.73 (19 and 17.65 (19°. This last dihedral angle involves a pyridine ring that is linked to the adjacent carboxamide O atom by an intramolecular C—H...O hydrogen bond. In compound (II, the unique pyridine rings are inclined to the pyrazine ring by 33.3 (3 and 81.71 (10°. There are two symmetrical intramolecular C—H...O hydrogen bonds present in (II. In the crystal of (I, molecules are linked by N—H...O and N—H...N hydrogen bonds, forming layers parallel to (10-1. The layers are linked by C—H...O and C—H...N hydrogen bonds, forming a three-dimensional framework. In the crystal of (II, molecules are linked by N—H...N hydrogen bonds, forming chains propagating along the [010] direction. The chains are linked by a weaker N—H...N hydrogen bond, forming layers parallel to the (101 plane, which are in turn linked by C—H...O hydrogen bonds, forming a three-dimensional structure. In the crystal of compound (I, a region of disordered electron density was treated with the SQUEEZE routine in PLATON [Spek (2015. Acta Cryst. C71, 9–18]. Their contribution was not taken into account during refinement. In compound (II, one of the pyridine rings is positionally disordered, and the refined occupancy ratio for the disordered Car—Car—Npy atoms is 0.58 (3:0.42 (3.

  5. Synthesis, structure, and catalytic performance in cyclooctene epoxidation of a molybdenum oxide/bipyridine hybrid material: {[MoO3(bipy)][MoO3(H2O)]}n.

    Science.gov (United States)

    Abrantes, Marta; Amarante, Tatiana R; Antunes, Margarida M; Gago, Sandra; Paz, Filipe A Almeida; Margiolaki, Irene; Rodrigues, Alírio E; Pillinger, Martyn; Valente, Anabela A; Gonçalves, Isabel S

    2010-08-02

    The reaction of [MoO(2)Cl(2)(bipy)] (1) (bipy = 2,2'-bipyridine) with water in a Teflon-lined stainless steel autoclave (100 degrees C, 19 h), in an open reflux system with oil bath heating (12 h) or in a microwave synthesis system (120 degrees C, 4 h), gave the molybdenum oxide/bipyridine hybrid material {[MoO(3)(bipy)][MoO(3)(H(2)O)]}(n) (2) as a microcrystalline powder in yields of 72-92%. The crystal structure of 2 determined from synchrotron X-ray powder diffraction data is composed of two distinct neutral one-dimensional polymers: an organic-inorganic polymer, [MoO(3)(bipy)](n), and a purely inorganic chain, [MoO(3)(H(2)O)](n), which are interconnected by O-H...O hydrogen bonding interactions. Compound 2 is a moderately active, stable, and selective catalyst for the epoxidation of cis-cyclooctene at 55 degrees C with tert-butylhydroperoxide (tBuOOH, 5.5 M in decane or 70% aqueous) as the oxidant. Biphasic solid-liquid or triphasic solid-organic-aqueous mixtures are formed, and 1,2-epoxycyclooctane is the only reaction product. When n-hexane is employed as a cosolvent and tBuOOH(decane) is the oxidant, the catalytic reaction is heterogeneous in nature, and the solid catalyst can be recycled and reused without a loss of activity. For comparison, the catalytic performance of the precursor 1 was also investigated. The IR spectra of solids recovered after catalysis indicate that 1 transforms into the organic-inorganic polymer [MoO(3)(bipy)] when the oxidant is tBuOOH(decane) and compound 2 when the oxidant is 70% aqueous tBuOOH.

  6. Muonated cyclohexadienyl radicals observed by level crossing resonance in dilute solutions of benzene in hexane subjected to muon-irradiation

    International Nuclear Information System (INIS)

    Walker, D.C.; Barnabas, M.V.; Venkateswaran, K.

    1988-11-01

    Benzene is used here as a scavenger of muonium to produce the muonated cyclohexadienyl radical in dilute solutions in n-hexane. The radical was identified by level crossing resonance spectroscopy (LCR) by observing the proton resonance of the -CHMu group occurring at 2.059T. Its yield is found to equal the sum of the muonium atom yield and the 'missing' muon yield in hexane (total 35% of the incident muons). Consequently, the complete dispersement of muons in different chemical associations is now accounted for in a saturated hydrocarbon liquid, and is seen to be similar to that in water

  7. New Methyltrimethoxysilane-(3-Mercaptopropyl)- Trimethoxysilane Coated Hollow Fiber-Solid Phase Micro extraction for Hexanal and Heptanal Analysis

    International Nuclear Information System (INIS)

    Siti Munirah Abd Wahib; Mohd Marsin Sanagi

    2016-01-01

    Determination of volatile organic compounds (VOCs) in various matrices is often accomplished using solid phase micro extraction (SPME) as a superior mode of extraction. Alternatively, another configuration of solid phase micro extraction (SPME) namely hollow fiber-solid phase micro extraction (HF-SPME) is a great approach to redress some limitations of the ordinary SPME fibers including fiber breakage, coating stripping and sample carry over. The HF-SPME technique highlights the use of hollow polypropylene (PP) membrane to hold and protect the adsorbent inside its lumen. Unlike the conventional SPME, the inexpensive HF device can be disposed after single use. Introducing extracting phase via sol-gel technology has gained great interest owing to its simple preparation method and promising way to obtain materials with good characteristics. In the present work, a new hybrid silica material based on methyltrimethoxysilane-(3-mercaptopropyl)trimethoxysilane (MTMOS-MPTMOS) was introduced as a new extractant of HF-SPME and the effectiveness of the proposed method was tested for analysis of hexanal and heptanal as the target VOC analytes. Preparation of the HF-SPME MTMOS-MPTMOS was simple in which the hybrid material was synthesized via sol-gel method and was self-polymerized in small segments of HF. Parameters affecting the efficiency of the HF-SPME MTMOS-MPTMOS in extracting both aldehydes were thoroughly investigated and analyzed by gas chromatography-flame ionization detection (GC-FID). It was found that the highest efficiency was achieved as the extraction was conducted in 30 min at a stirring rate of 1000 rpm in a 10 mL of sample solution whereby the back-extraction was performed via vortex for 3 min using 100 μL methanol as desorption solvent. Under the optimal conditions, linearity was observed over a range of 0.020-10.00 μg mL"-"1 with detection limits of 0.015 μg mL"-"1 and 0.010 μg mL"-"1 for hexanal and heptanal, respectively. The applicability of the HF

  8. Some aspects of electron dynamics in solid alkanes

    International Nuclear Information System (INIS)

    Cheng, I.I.; Funabashi, K.

    1975-01-01

    The excess electron mobility in 3-methylpentane (3MP) is in the range of 0.02-0.1 cm 2 /v.s. for 4.2-85 0 K. The mobility is nearly independent of temperature below 35 0 K, while the activation energy is about 0.01 eV for 35 0 K-85 0 K. The magnitude of mobility and its temperature dependence are consistent with the hopping and tunneling motion of electron between trapped (or localized) states. The decay kinetics of the absorption spectrum of trapped electrons in 3MP also suggest the presence of many trapping sites, and a small mean free path of retrapping for a quasi-free electron. It is conjectured that the electron-transport in 3MP glass is the phonon-assisted hopping or tunneling and the mean free path (or the mobility) at the quasi-free state is not as large as 100 A (or 150 cm 2 /v.s.). The mean free path of scattering for an excess electron at the quasi-free level in various alkane glasses can be found approximately from measurement of attenuation constants for electron beams (Chang and Berry). The relationship of these attenuation constants with V 0 (quasi-free state) will be discussed. The effect of electron-phonon coupling on the effective mass of excess electrons will also be discussed in terms of a simple model. The effective mass is a sensitive function of the ratio of the relaxation energy to the phonon energy

  9. Aislamiento y caracterización de la fracción hexánica de las hojas de Vernonanthura patens (Kunth H. Rob. con actividad antifúngica Isolation and characterization of hexane fraction from Vernonanthura patens (Kunth H. Rob leaves with antifungal action

    Directory of Open Access Journals (Sweden)

    Patricia Manzano Santana

    2012-09-01

    Full Text Available Introducción: la medicina folclórica ecuatoriana, utiliza las cocciones de las hojas de Vernonanthura pathens (Kunth H. Rob, para combatir entre otras, paludismo, dolores pre y posparto, estomacales, erupciones de piel, diarreas y parásitos. Objetivos: examinar la presencia de actividad antifúngica en fracciones obtenidas de un extracto metanólico de las hojas de V. patens. Métodos: el extracto metanólico de hojas se fraccionó por columna cromatográfica empleando los siguientes sistemas de disolventes: hexano, hexano/acetato de etilo, acetato de etilo y acetato de etilo/metanol. La actividad antifúngica se midió mediante la técnica de difusión en agar con medio (potato dextrosa agar PDA, en pocillos de 5 mm de diámetro, adicionando 20 µL de las fracciones en concentraciones de 100 y 200 µg/mL disueltas en dimetilsulfóxido. La fracción activa fue analizada para su identificación estructural por cromatografía gaseosa-espectrometría de masas. Resultados: de las fracciones obtenidas solo presentó actividad antifúngica la fracción de hexano al 100 %, con porcentajes de inhibición del 57,6 y 80,2 % frente a Penicillium notatum, y 64,8 y 81,5 % frente a Fusaryum oxysporum, a los quince días de incubación. Se propusieron las estructuras de 29 compuestos como constituyentes de la fracción hexánica, los que en su mayoría, son hidrocarburos. Conclusiones: se comprobó la presencia de actividad antifúngica en la fracción de hexano al 100 %, lo que puede incrementar el arsenal de usos medicinales de la planta estudiada y enriquecer la medicina folclórica ecuatoriana.Introduction: the Ecuadorian folk medicine uses the coction from Vernonanthura pathens (Rob H. Kunth leaves to treat, malaria, pain before and after childbirth, stomachache, skin rashes, diarrheas and parasitism. Objectives: to examine the presence of antifungal activity in fractions obtained from a methanol extract from V. patens leaves. Methods: the methanol

  10. Production of C(3)/C(4) Olefins from n-Hexane: Conceptual design of a catalytic oxidative cracking process and comparison to steam cracking

    NARCIS (Netherlands)

    Boyadjian, C.A.; Seshan, Kulathuiyer; Lefferts, Leonardus; van der Ham, Aloysius G.J.; van den Berg, Henderikus

    2011-01-01

    A conceptual design of the catalytic oxidative cracking (COC) of hexane as a model compound of naphtha is reported. The design is based on experimental data which are elaborated through a structural design method to a process flow sheet. The potential of COC as an alternative to steam cracking (SC)

  11. Bis{(E-3-[2-(hydroxyiminopropanamido]-2,2-dimethylpropan-1-aminium} bis[μ-(E-N-(3-amino-2,2-dimethylpropyl-2-(hydroxyiminopropanamido(2−]bis{[(E-N-(3-amino-2,2-dimethylpropyl-2-(hydroxyiminopropanamide]copper(II} bis((E-{3-[2-(hydroxyiminopropanamido]-2,2-dimethylpropyl}carbamate acetonitrile disolvate

    Directory of Open Access Journals (Sweden)

    Andrii I. Buvailo

    2012-12-01

    Full Text Available The reaction between copper(II nitrate and (E-N-(3-amino-2,2-dimethylpropyl-2-(hydroxyiminopropanamide led to the formation of the dinuclear centrosymmetric copper(II title complex, (C8H18N3O22[Cu2(C8H15N3O22(C8H17N3O22](C9H16N3O42·2CH3CN, in which an inversion center is located at the midpoint of the Cu2 unit in the center of the neutral [Cu2(C8H15N3O22(C8H17N3O22] complex fragment. The Cu2+ ions are connected by two N—O bridging groups [Cu...Cu separation = 4.0608 (5 Å] while the CuII ions are five-coordinated in a square-pyramidal N4O coordination environment. The complex molecule co-crystallizes with two molecules of acetonitrile, two molecules of the protonated ligand (E-3-[2-(hydroxyiminopropanamido]-2,2-dimethylpropan-1-aminium and two negatively charged (E-{3-[2-(hydroxyiminopropanamido]-2,2-dimethylpropyl}carbamate anions, which were probably formed as a result of condensation between (E-N-(3-amino-2,2-dimethylpropyl-2-(hydroxyiminopropanamide and hydrogencarbonate anions. In the crystal, the complex fragment [Cu2(C8H15N3O22(C8H17N3O22] and the ion pair C8H18N3O2+.C9H16N3O4− are connected via an extended system of hydrogen bonds.

  12. Physical Properties of Superbulky Lanthanide Metallocenes : Synthesis and Extraordinary Luminescence of [Eu-II(Cp-BIG)(2)] (Cp-BIG=(4-nBu-C6H4)(5)-Cyclopentadienyl)

    NARCIS (Netherlands)

    Harder, Sjoerd; Naglav, Dominik; Ruspic, Christian; Wickleder, Claudia; Adlung, Matthias; Hermes, Wilfried; Eul, Matthias; Poettgen, Rainer; Rego, Daniel B.; Poineau, Frederic; Czerwinski, Kenneth R.; Herber, Rolfe H.; Nowik, Israel

    2013-01-01

    The superbulky deca-aryleuropocene [Eu(Cp-BIG)(2)], Cp-BIG=(4-nBu-C6H4)(5)-cyclopentadienyl, was prepared by reaction of [Eu(dmat)(2)(thf)(2)], DMAT=2-Me2N--Me3Si-benzyl, with two equivalents of (CpH)-H-BIG. Recrystallizyation from cold hexane gave the product with a surprisingly bright and

  13. Lipoxygenase independent hexanal formation in isolated soy proteins induced by reducing agents.

    Science.gov (United States)

    Lei, Q; Boatright, W L

    2008-08-01

    Compared to corresponding controls, 6.5 mM dithiothreitol (DTT) elevated headspace hexanal level over aqueous slurries of both commercial isolated soy proteins (ISP) and laboratory ISP prepared with 80 degrees C treatment. Further analysis revealed that lipoxygenase (LOX) activity was not detected from these ISP, indicating that LOX is not involved in the observed hexanal increase. Levels of the induced headspace hexanal over the ISP aqueous slurries were proportional to the amount of DTT added in the range of 0 to 65 mM. Subsequent systematic investigations with model systems revealed that iron was required for the reducing agent-induced hexanal formation from linoleic acid. Erythorbate, another reducing agent, can also induce hexanal formation in both ISP and model systems. As a comparison, the LOX activity and hexanal synthesis in defatted soy flour were examined. The corresponding results showed that defatted soy flour maintained high LOX activities and that hexanal synthesis in such sample was significantly inhibited by high concentration DTT (above 130 mM). Data from the current investigation demonstrate the existence of LOX independent hexanal formation induced by reducing agents in ISP and the potential requirement of iron as a catalyst.

  14. In-vitro investigations of the speed of pyrrole formation of 2,5-hexanedione and 2,5-heptanedione with N{alpha}-acetyl-L-lysine as a precondition for a comparative assessment of the neurotoxic potentials of the two {gamma}-diketones; In-vitro-Untersuchungen zur Pyrrolbildungsgeschwindigkeit von 2,5-Hexandion und 2,5-Heptandion mit N{alpha}-Acetyl-L-lysin als Voraussetzung fuer eine vergleichende Abschaetzung der neurotoxischen Potentiale beider {gamma}-Diketone

    Energy Technology Data Exchange (ETDEWEB)

    Richter, M.F.

    1997-09-01

    N-hexane and n-heptane are important solvents. Chronic exposure to n-hexane causes polyneuropathies, which are attributed to the metabolite 2,5-hexanedione, a {gamma} diketone. As a basis for a comparative assessment of the neurotoxic potentials of 2,5-hexanedione and 2,5-heptanedione, an in-vitro test was developed and used to investigate the speed of pyrrole formation of the two {gamma} diketones in reacting with the {epsilon} amino group of N{alpha}-acetyl L-lysine. The speed of the formation of pyrrole was always directly proportional to the respective reactant concentration. It consequently is subject to a second-order kinetics. As a further result, the pyrrole formation speed of 2,5-heptanedione was found to be only half that of 2,5-hexanedione. The results lead to the conclusion that 2,5-heptanedione poses a smaller risk of developing peripheral neuropathy than 2,5-hexanedione. (orig./MG) [Deutsch] n-Hexan und n-Heptan sind wichtige Loesungsmittel. Chronische Exposition gegenueber n-Hexan ruft Polyneuropathien hervor, die auf den Metaboliten 2,5-Hexandion, ein {gamma}-Diketon, zurueckgefuehrt werden. Als Grundlage fuer eine vergleichende Abschaetzung der neurotoxischen Potentiale von 2,5-Hexandion und 2,5-Heptandion wurde in der vorliegenden Arbeit ein In-vitro-Test entwickelt, mit dem die Pyrrolbildungsgeschwindigkeiten der beiden {gamma}-Diketone mit der {epsilon}-Aminogruppe von N{alpha}-Acetyl-L-Iysin untersucht wurden. Die Pyrrolbildungsgeschwindigkeit war stets direkt proportional zur jeweiligen Reaktantenkonzentration. Somit unterliegt sie einer Kinetik 2. Ordnung. Weiterhin wurde gezeigt, dass die Pyrrolbildungsgeschwindigkeit fuer 2,5-Heptandion nur etwa halb so gross ist wie fuer 2,5-Hexandion. Aus den Ergebnissen wird gefolgert, dass das von 2,5-Heptandion ausgehende Risiko an peripheren Neuropathien zu erkranken geringer ist, als das von 2,5-Hexandion ausgehende. (orig./MG)

  15. Extracting properties of N,N,N'N'-tetraalkyl-2 alkyl propane -1,3 diamides

    International Nuclear Information System (INIS)

    Nigond, L.

    1992-01-01

    N,N,N',N'-tetraalkyl -2 alkyl propane -1,3 diamides (RR'NCO) 2 CHR'' are investigated in the aim to separate actinides from nuclear wastes. N,N'-dimethyl N,N'-dibutyl tetradecylmalonamide (DMDBTDMA) was selected. This molecule can extract trivalent actinides in aliphatic diluents. Americium extraction is faster than iron extraction, hydrolytic degradation and solubility in aqueous phase are satisfactory. In non acidic media, diamides form aggregates, the size of which is function of diluent and diamide concentration. Extraction equilibria of HNO 3 , UO 2 2+ , Pu 4+ , Am 3+ and Fe 3+ are investigated.Four complexes are formed with nitric acid: L 2 HNO 3 , LHNO 3 , L 2 (HNO 3 ) 2 and L(HNO 3 ) 3 with L=DMDBTDMA. UO 2 2+ and Pu 4+ extraction takes place via the formation of neutral complexes: LUO 2 (NO 3 ) 2 , LPu(NO 3 ) 4 and L 2 Pu(NO 3 ) 4 for any nitric acid concentration. Am 3+ extraction takes place via the formation of LAm(NO 3 ) 3 and L 2 Am(NO 3 ) 3 for low nitric acid concentration and L x H y Am(NO 3 ) 3+y at higher acidity. Fe 3+ extraction involves anionic complexes L x HFe(NO 3 ) 4 for any acid concentration. In the presence of metallic cations, two kinds of interactions are observed: in the inner sphere of the metal diamide-metal ion complexation and in the outer sphere diamide-metallic complex interaction. The malonamide DMDBTDMA can be used to separate (III), (IV) and (VI) actinides from radioactive wastes

  16. Fabrication of Hydrophobic Membrane for the Separation of n-Hexane/Water Mixture Using Novel Oleophilic Nanoparticle and Kevlar Fabric, as a Superior Support

    Directory of Open Access Journals (Sweden)

    Hanieh Karimnezhad

    2017-07-01

    Full Text Available The fabrication of functionalized membranes with hydrophobic/oleophilic surfaces for the elimination of n-hexane from water using para-aminobenzoate alumoxane, boehmite-epoxide and a novel nanoparticle, i.e., Stearate Alumoxane by a simple coating technique, is reported here. FTIR was used to characterize nanoparticles. SEM and contact angle measurement analyses were used to identify the nanocomposite membranes. The concentrations of oil in permeate and retentate were measured by UV/vis spectrophotometer. The morphology of Stearate alumoxane nanoparticles was investigated by means of SEM images. The composed film of nanoparticles on the Kevlar fabric was hydrophobic with water contact angle of ~ 145° and oleophilic with oil contact angle of ~ 0º. In addition, the membranes retained stable hydrophobicity and high separation efficiency even after employing for 6 times. Applying these properties, a setup was considered using the functionalized Kevlar fabric to separate oil through down to a collector and leave water drops. Our batch filtration system was exclusively gravity-driven. The achieved separation system can separate the oily water mixture (with the concentration of 20 % (v/v n-hexane in water, effectively with a separation efficiency of 84%.

  17. SYNTHESIS AND STRUCTURAL FEATURES OF NOVEL VANADIUM(II) AMIDES - X-RAY STRUCTURES OF OCTAHEDRAL [(2-C5H4N)(CH3)N]2V(TMEDA) (TMEDA=N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE) AND SQUARE-PYRAMIDAL [2,5-(CH3)2C4H2N]2V(PY)3 (PY=PYRIDINE)

    NARCIS (Netherlands)

    EDEMA, JJH; GAMBAROTTA, S; MEETSMA, A; SPEK, AL; VELDMAN, N

    1991-01-01

    The reaction of trans-(TMEDA)2VCl2 (TMEDA = N,N,N',N'-tetramethylethylenediamine) with both mono- and bidentate alkali-metal amides has been investigated. Utilization of 2 equiv of bidentate amide (N segment N)-M [M = Li, Na; N segment N = 2-?? (MeN)C5H4N (1), PhNNNPh (2), 7-azaindolyl (3),

  18. Zeolites adsorbent study containing zinc for remove gasoline in 2-propanothiol/hexane mixture; Estudo de adsorventes zeoliticos contendo zinco, para remocao de enxofre na mistura 2-propanotiol/hexano

    Energy Technology Data Exchange (ETDEWEB)

    Clericuzi, G.Z.; Barbosa, C. Maria B.M. [Pernambuco Univ., Recife, PE (Brazil). Dept. de Engenharia Quimica]. E-mail: clericuzi@bol.com.br; celmy@ufpe.br; Souza-Aguiar, E.F. [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas]. E-mail: falabella@cenpes.petrobras.com.br; Medina, N. [Administracion Nacional de Combustibles Alcohol Y Portland (ANCAP) (Uruguay)]. E-mail: nildamedina@hotmail.com

    2003-07-01

    The control of emission sulfur of gasoline has been increasing all over the world. An important process for that reduction is certainly the hydrotreatment of the gasoline of FCC. Aiming to get lower the level of emission of the control taxes of the sulfur, an alternative process is an adsorption, using zeolites, for having less severe and more economical of operation conditions, detaching the synthetic zeolites. In the present work were used two adsorbents zeolites containing respectively 0,5% of Zinc/NaY (Zn1) and 5% of Zinc/NaY (Zn2), prepared after all was molded pellets by ionic change and using graphite to for in all, it was obtained pellets with 3 mm. The kinetic study was accomplished with a mixture of 2-propanothiol and hexane. Begging of an initial concentration of 200 mg L{sup -1} of sulfur, the results were obtained by analyses of the concentration in a chromatograph type CG and evidenced that the adsorption is more effective for Zn2 adsorbent, because of the competition among substances, solvents, hexane, and solute of 2-propanothiol, due their the molecular structures and the inferior zinc tenor than the other adsorbent. (author)

  19. N1-(Thiophen-2-ylmethyl-N3,N3-bis[3-(thiophen-2-ylmethylammoniopropyl]propane-1,3-diammonium hexafluoridosilicate methanol trisolvate

    Directory of Open Access Journals (Sweden)

    Md. Alamgir Hossain

    2013-12-01

    Full Text Available In the title compound, C24H40N4S34+·2SiF62−·3CH3OH, the central tertiary amine function is protonated and is connected to three thiophen-2-ylmethylamino-n-propyl groups, forming the arms of a T-shaped cation that has two pockets. Each arm contains one protonated secondary amine function, and each pocket is occupied by one SiF62− anion bonded via two N—H...F interactions with the protonated amine group on the middle arm, while two methanol solvent molecules are N—H...O hydrogen-bonded with the other secondary protonated amine groups on the side arms. Weak O—H...O and O—H...F hydrogen bonds between the solvent molecules and between the solvent molecules and the anions, respectively, are also observed. All three thiophene groups in the arms are disordered over two sets of sites, with occupancy ratios of 0.828 (3:0.172 (3, 0.910 (2:0.090 (2 and 0.890 (3:0.110 (3.

  20. Pr4N2S3 and Pr4N2Se3: two non-isostructural praseodymium(iii) nitride chalcogenides

    International Nuclear Information System (INIS)

    Lissner, Falk; Schleid, Thomas

    2005-01-01

    The non-isostructural nitride chalcogenides of praseodymium, Pr 4 N 2 S 3 and Pr 4 N 2 Se 3 , are formed by the reaction of the praseodymium metal with sodium azide (NaN 3 ), praseodymium trihalide (PrX 3 ; X = Cl, Br, I) and the respective chalcogen (sulfur or selenium) at 900 C in evacuated silica ampoules after seven days. Both crystallize monoclinically in space group C2/c (Pr 4 N 2 S 3 : a = 1788.57(9), b = 986.04(5), c = 1266.49(6) pm, β = 134.546(7) , Z = 8; Pr 4 N 2 Se 3 : a = 1311.76(7), b = 1017.03(5), c = 650.42(3) pm, β = 90.114(6) , Z = 4). The crystal structures of both compounds show a layered construction, dominated by N 3- -centred (Pr 3+ ) 4 tetrahedra which share a common edge first. Continuing linkage of the so resulting bitetrahedral [N 2 Pr 6 ] 12+ units via the non-connected vertices to layers according to [stack ∞ 2 ]{[N(Pr) 2/2 e (Pr') 2/2 v ] 3+ } forms different kinds of tetrahedral nets which can be described as layers consisting of ''four- and eight-rings'' for Pr 4 N 2 S 3 and as layers of ''six-rings'' for Pr 4 N 2 Se 3 . Whereas the crystal structure of Pr 4 N 2 S 3 exhibits four different Pr 3+ cations with coordination numbers of six (2 x) and seven (2 x) against N 3- and S 2- , the number of cations in the nitride selenide (Pr 4 N 2 Se 3 ) is reduced to half (Pr1 and Pr2) also having six- and sevenfold anionic coordination spheres. Further motifs for the connection of [NM 4 ] 9+ tetrahedra in crystal structures of nitride chalcogenides and halides of the rare-earth elements with ratios of N: M = 1: 2 are presented and discussed. (Abstract Copyright [2005], Wiley Periodicals, Inc.) [de

  1. Infrared spectroscopy of physisorbed and chemisorbed N-2 in the Pt(111)(3x3)N-2 structure

    DEFF Research Database (Denmark)

    Gustafsson, K.; Karlberg, Gustav; Andersson, Sven

    2007-01-01

    Using infrared spectroscopy and low electron energy diffraction, we have investigated the adsorption of N-2, at 30 K, on the Pt(111) and the Pt(111)(1x1)H surfaces. At monolayer coverage, N-2 orders in commensurate (3x3) structures on both surfaces, and we propose that the unit cells contain four...... molecules in each case. The infrared spectra reveal that N-2 exclusively physisorbs on the Pt(111)(1x1)H surface, while both physisorbed and chemisorbed N-2 is detected on the Pt(111) surface. Physisorbed N-2 is the majority species in the latter case, and the two adsorption states show an almost identical...... uptake behavior, which indicates that they are intrinsic constituents of the growing (3x3) N-2 islands. An analysis of the infrared absorbance data, based on a simple scaling concept suggested by density functional theory calculations, supports a model in which the (3x3) unit cell contains one...

  2. Use of a plant-derived enzyme template for the production of the green-note volatile hexanal.

    Science.gov (United States)

    Schade, Frank; Thompson, John E; Legge, Raymond L

    2003-11-05

    Hexanal is a key organoleptic element of green-note that is found in both fragrances and flavors. We report a novel process for the production of hexanal using immobilized enzyme templates extracted from different plant sources in combination with hollow-fiber ultrafiltration for in situ separation. Enzyme templates, known to be responsible for the synthesis of hexanal from linoleic acid (18:2), were isolated from naturally enriched tissues including carnation petals, strawberry and tomato leaves. These templates were immobilized in an alginate matrix and used as a biocatalyst in a packed-bed bioreactor. Continuous product recovery was achieved using a hollow-fiber ultrafiltration unit. The effects of pH, reaction temperature, and substrate and enzyme concentrations were studied and their effects on hexanal generation identified and optimized. Utilizing optimized conditions, hexanal production 112-fold higher than endogenous steady-state levels in a corresponding amount of plant tissue could be achieved over a 30-minute period. Based on the reactor studies, product inhibition also appears to be an important factor for bioreactor-based hexanal production. Copyright 2003 Wiley Periodicals, Inc.

  3. Kinetics and mechanistic study of n-alkane hydroisomerization reaction on Pt-doped γ-alumina catalyst

    Directory of Open Access Journals (Sweden)

    Abhishek Dhar

    2017-12-01

    Full Text Available The catalysts γ-alumina (GA, the reference catalyst and Pt doped γ-alumina (PGA-s were synthesized using a simple sol-gel technique, in which at first preparation of porous base (GA, then impregnation of platinum salt over the base and finally reduction of platinum in the surface of the support were done. These catalysts prepared in different mole ratios of Pt:Al as 2:1, 1:1 and 1:2 are named as PGA-1, PGA-2 and PGA-3 respectively. The isomerization of n-alkanes (n-hexane, n-heptane and n-octane were investigated over the synthesized catalysts. The 2-methyl pentane (2-MP, 2,2-dimethyl pentane (2,2-DMP and 2,3-dimethyl hexane (2,3-DMH are the major products of respective isomerization of n-hexane, n-heptane and n-octane, besides a small amount of other branched isomers are also produced. The product distribution is comparable to that reported for Pt based other catalysts. The optimal mole ratios of Pt:Al is 1:1 (PGA-2 gives quite good catalytic activity for isomerization of n-alkane. Even through in reusability study, PGA-2 gives better performance than others. We have mainly focused on kinetic study, reaction mechanism behind isomerization and calculated the order of reactions and activation energies of the isomerization reactions in the present work. Keywords: Isomerization, n-alkanes, Catalyst, Reaction mechanism, Kinetics study, Activation energy

  4. Ethanol oxidation reactions catalyzed by water molecules: CH3CH2OH+n H2O→ CH3CHO+ H2+n H2O (n=0,1,2)

    Science.gov (United States)

    Takahashi, H.; Hisaoka, S.; Nitta, T.

    2002-09-01

    Ab initio density functional theory calculations have been performed to investigate the catalytic role of water molecules in the oxidation reaction of ethanol: CH3CH2OH+n H2O→ CH3CHO+ H2+n H2O (n=0,1,2) . The results show that the potential energy barrier for the reaction is 88.0 kcal/mol in case of n=0, while it is reduced by ˜34 kcal/mol when two water molecules are involved ( n=2) in the reaction. As a result, the rate constant increases to 3.31×10 -4 s-1, which shows a significant catalytic role of water molecules in the ethanol oxidation reactions.

  5. Juglans regia Hexane Extract Exerts Antitumor Effect, Apoptosis ...

    African Journals Online (AJOL)

    Original Research Article. Juglans regia Hexane Extract Exerts Antitumor Effect,. Apoptosis Induction and Cell Circle Arrest in Prostate. Cancer Cells In vitro. Wei Li1, De-Yuan Li2*, ... composition of walnut is juglone (5-hydroxy-1, 4- naphthoquinone), the .... extract was confirmed by studying apoptotic body formation using ...

  6. Esterification of fatty acids using nylon-immobilized lipase in n-hexane: kinetic parameters and chain-length effects.

    Science.gov (United States)

    Zaidi, A; Gainer, J L; Carta, G; Mrani, A; Kadiri, T; Belarbi, Y; Mir, A

    2002-02-28

    The esterification of long-chain fatty acids in n-hexane catalyzed by nylon-immobilized lipase from Candida rugosa has been investigated. Butyl oleate (22 carbon atoms), oleyl butyrate (22 carbon atoms) and oleyl oleate (36 carbon atoms) were produced at maximum reaction rates of approximately equal to 60 mmol h(-1) g(-1) immobilized enzyme when the substrates were present in equimolar proportions at an initial concentration of 0.6 mol l(-1). The observed kinetic behavior of all the esterification reactions is found to follow a ping-pong bi-bi mechanism with competitive inhibition by both substrates. The effect of the chain-length of the fatty acids and the alcohols could be correlated to some mechanistic models, in accordance with the calculated kinetic parameters.

  7. Synthesis and reactivity of bis(tetramethylcyclopentadienyl) yttrium metallocenes including the reduction of Me(3)SiN(3) to [(Me(3)Si)(2)N](-) with [(C(5)Me(4)H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N(2)).

    Science.gov (United States)

    Lorenz, Sara E; Schmiege, Benjamin M; Lee, David S; Ziller, Joseph W; Evans, William J

    2010-07-19

    The metallocene precursors needed to provide the tetramethylcyclopentadienyl yttrium complexes (C(5)Me(4)H)(3)Y, [(C(5)Me(4)H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N(2)), and [(C(5)Me(4)H)(2)Y(mu-H)](2) for reactivity studies have been synthesized and fully characterized, and their reaction chemistry has led to an unexpected conversion of an azide to an amide. (C(5)Me(4)H)(2)Y(mu-Cl)(2)K(THF)(x), 1, synthesized from YCl(3) and KC(5)Me(4)H reacts with allylmagnesium chloride to make (C(5)Me(4)H)(2)Y(eta(3)-C(3)H(5)), 2, which is converted to [(C(5)Me(4)H)(2)Y][(mu-Ph)(2)BPh(2)], 3, with [Et(3)NH][BPh(4)]. Complex 3 reacts with KC(5)Me(4)H to form (C(5)Me(4)H)(3)Y, 4. The reduced dinitrogen complex, [(C(5)Me(4)H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N(2)), 5, can be synthesized from either [(C(5)Me(4)H)(2)Y](2)[(mu-Ph)(2)BPh(2)], 3, or (C(5)Me(4)H)(3)Y, 4, with potassium graphite under a dinitrogen atmosphere. The (15)N labeled analogue, [(C(5)Me(4)H)(2)Y(THF)](2)(mu-eta(2):eta(2)-(15)N(2)), 5-(15)N, has also been prepared, and the (15)N NMR data have been compared to previously characterized reduced dinitrogen complexes. Complex 2 reacts with H(2) to form the corresponding hydride, [(C(5)Me(4)H)(2)Y(mu-H)](2), 6. Complex 5 displays similar reactivity to that of the analogous [(C(5)Me(4)H)(2)Ln(THF)](2)(mu-eta(2):eta(2)-N(2)) complexes (Ln = La, Lu), with substrates such as phenazine, anthracene, and CO(2). In addition, 5 reduces Me(3)SiN(3) to form (C(5)Me(4)H)(2)Y[N(SiMe(3))(2)], 7.

  8. Development of a Henry's constant correlation and solubility measurements of n-pentane, i-pentane, cyclopentane, n-hexane, and toluene in water

    International Nuclear Information System (INIS)

    Chapoy, Antonin; Haghighi, Hooman; Tohidi, Bahman

    2008-01-01

    In this communication, we report new experimental data on n-pentane, i-pentane, cyclopentane, n-hexane, and toluene solubility in water at low temperature (below 298.15 K) and atmospheric pressure conditions. The new experimental data together with those reported in the literature have been used in developing a new equation for Henry's constants of normal alkanes (methane to decane), BETEX compounds, and acid gases in aqueous phase over a wide range of temperature (typically from 273.15 K to 373.15 K). The new equation is based on a thermodynamic model, which uses the Peng-Robinson equation of state combined with the classical quadratic mixing rules for modelling non-aqueous phases, while the NRTL model is used to calculate the water activity. The predictions of the developed thermodynamic model are compared to the experimental data and the results of a thermodynamic approach, which uses the Valderrama modification of the Patel-Teja equation of state and non-density dependent mixing rules for modelling all fluid phases. Good agreement is observed between the experimental data and the model predictions

  9. Effects of intermolecular interactions on absorption intensities of the fundamental and the first, second, and third overtones of OH stretching vibrations of methanol and t-butanol‑d9 in n-hexane studied by visible/near-infrared/infrared spectroscopy

    Science.gov (United States)

    Morisawa, Yusuke; Suga, Arisa

    2018-05-01

    Visible (Vis), near-infrared (NIR) and IR spectra in the 15,600-2500 cm- 1 region were measured for methanol, methanol-d3, and t-butanol-d9 in n-hexane to investigate effects of intermolecular interaction on absorption intensities of the fundamental and the first, second, and third overtones of their OH stretching vibrations. The relative area intensities of OH stretching bands of free and hydrogen-bonded species were plotted versus the vibrational quantum number using logarithm plots (V = 1-4) for 0.5 M methanol, 0.5 M methanol‑d3, and 0.5 M t-butanol-d9 in n-hexane. In the logarithm plots the relative intensities of free species yield a linear dependence irrespective of the solutes while those of hydrogen-bonded species deviate significantly from the linearity. The observed results suggest that the modifications in dipole moment functions of the OH bond induced by the formation of the hydrogen bondings change transient dipole moment, leading to the deviations of the dependences of relative absorption intensities on the vibrational quantum number from the linearity.

  10. Study of molecular interactions in binary liquid mixtures of 1-octanol with n-hexane, n-octane, and n-decane using volumetric, viscometric, and acoustic properties

    International Nuclear Information System (INIS)

    Dubey, Gyan P.; Sharma, Monika

    2008-01-01

    Experimental values of densities (ρ) and speeds of sound (u) at T = (298.15, 303.15, and 308.15) K while the viscosities (η) at T = 298.15 K in the binary mixtures of 1-octanol with n-hexane, n-octane, and n-decane are presented over the entire composition range of the binary mixtures. Using these data, excess molar volumes (V m E ), viscosity deviation (Δη), deviation in speeds of sound (Δu), deviation in isentropic compressibility (Δκ s ), excess free volume (V f E ), and excess Gibbs free energy of activation of viscous flow (ΔG* E ) are calculated and presented graphically. All the computed quantities are fitted to a polynomial equation. The values of V m E have been analyzed using Prigogine-Flory-Patterson (PFP) theory. Furthermore, the theoretical values of speed of sound (u) and isentropic compressibility (κ s ) have also been estimated using the Prigogine-Flory-Patterson (PFP) theory with the van der Waals (vdW) potential energy model and the results have been compared with experimental values. The experimental and calculated quantities are used to study the nature of mixing behaviour between the mixture components

  11. Third O2 addition reactions promote the low-temperature auto-ignition of n-alkanes

    KAUST Repository

    Wang, Zhandong

    2016-01-20

    Comprehensive low-temperature oxidation mechanisms are needed to accurately predict fuel auto-ignition properties. This paper studies the effects of a previously unconsidered third O2 addition reaction scheme on the simulated auto-ignition of n-alkanes. We demonstrate that this extended low-temperature oxidation scheme has a minor effect on the simulation of n-pentane ignition; however, its addition significantly improves the prediction of n-hexane auto-ignition under low-temperature rapid compression machine conditions. Additional simulations of n-hexane in a homogeneous charge compression ignition engine show that engine-operating parameters (e.g., intake temperature and combustion phasing) are significantly altered when the third O2 addition kinetic mechanism is considered. The advanced combustion phasing is initiated by the formation and destruction of additional radical chain-branching intermediates produced in the third O2 addition process, e.g. keto-dihydroperoxides and/or keto-hydroperoxy cyclic ethers. Our results indicate that third O2 addition reactions accelerate low-temperature radical chain branching at conditions of relevance to advance engine technologies, and therefore these chemical pathways should also be considered for n-alkanes with 6 or more carbon atoms. © 2015 The Combustion Institute.

  12. Synthesis, structure, luminescent, and magnetic properties of carbonato-bridged Zn(II)2Ln(III)2 complexes [(μ4-CO3)2{Zn(II)L(n)Ln(III)(NO3)}2] (Ln(III) = Gd(III), Tb(III), Dy(III); L(1) = N,N'-bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L(2) = N,N'-bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato).

    Science.gov (United States)

    Ehama, Kiyomi; Ohmichi, Yusuke; Sakamoto, Soichiro; Fujinami, Takeshi; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Tsuchimoto, Masanobu; Re, Nazzareno

    2013-11-04

    Carbonato-bridged Zn(II)2Ln(III)2 complexes [(μ4-CO3)2{Zn(II)L(n)Ln(III)(NO3)}2]·solvent were synthesized through atmospheric CO2 fixation reaction of [Zn(II)L(n)(H2O)2]·xH2O, Ln(III)(NO3)3·6H2O, and triethylamine, where Ln(III) = Gd(III), Tb(III), Dy(III); L(1) = N,N'-bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L(2) = N,N'-bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato. Each Zn(II)2Ln(III)2 structure possessing an inversion center can be described as two di-μ-phenoxo-bridged {Zn(II)L(n)Ln(III)(NO3)} binuclear units bridged by two carbonato CO3(2-) ions. The Zn(II) ion has square pyramidal coordination geometry with N2O2 donor atoms of L(n) and one oxygen atom of a bridging carbonato ion at the axial site. Ln(III) ion is coordinated by nine oxygen atoms consisting of four from the deprotonated Schiff-base L(n), two from a chelating nitrate, and three from two carbonate groups. The temperature-dependent magnetic susceptibilities in the range 1.9-300 K, field-dependent magnetization from 0 to 5 T at 1.9 K, and alternating current magnetic susceptibilities under the direct current bias fields of 0 and 1000 Oe were measured. The magnetic properties of the Zn(II)2Ln(III)2 complexes are analyzed on the basis of the dicarbonato-bridged binuclear Ln(III)-Ln(III) structure, as the Zn(II) ion with d(10) electronic configuration is diamagnetic. ZnGd1 (L(1)) and ZnGd2 (L(2)) show a ferromagnetic Gd(III)-Gd(III) interaction with J(Gd-Gd) = +0.042 and +0.028 cm(-1), respectively, on the basis of the Hamiltonian H = -2J(Gd-Gd)ŜGd1·ŜGd2. The magnetic data of the Zn(II)2Ln(III)2 complexes (Ln(III) = Tb(III), Dy(III)) were analyzed by a spin Hamiltonian including the crystal field effect on the Ln(III) ions and the Ln(III)-Ln(III) magnetic interaction. The Stark splitting of the ground state was so evaluated, and the energy pattern indicates a strong easy axis (Ising type) anisotropy. Luminescence spectra of Zn(II)2Tb(III)2 complexes were observed, while those

  13. FRACTIONATION OF FATTY ACID OMEGA 3, 6 AND 9 FROM SNAIL (Achatina fulica USING COLOUM CHROMATOGRAPHY

    Directory of Open Access Journals (Sweden)

    Winarto Haryadi

    2010-06-01

    Full Text Available The extraction of fat from snail has been carried out by Soxhlet extractor with petroleum ether solvent. Fatty product from extraction was transesterificated in BF3/methanol solvent for an hour by reflux procedure, then extracted by n-hexane to produce methyl ester fatty acid. Free water fatty acid methyl ester was analyzed by Gas Chromatography-Mass spectrometer (GC-MS. Fatty acid ester was separated from its fractions use column chromatography in n-hexane, n-hexane:dietil eter (2:1 v/v, dietil eter, aseton, ethanol and methanol. This fractions wer also analized by GC-MS. From GC-MS data sheet can be obtained 5 fractions which details are; fraction 1 contains omega 3: 27.54 %, omega 6: 15.40 % and omega 9: 6.77 %. Fraction 2 contains omega 3: 3.08 %, omega 6: 15.62 % and omega 9: 10.72 %. Fraction 3 contains omega 6: 3.57 %, omega 9: 7.02 % and none omega 3 inside it. Omega 3, 6 and 9 can't be identification in fraction 4 and 5.   Keywords: extraction, transesterification, column chromatography, GC-MS

  14. The study of the radiation chemical transformation of the hexane on the surface of aluminium by IR-spectroscopy method

    International Nuclear Information System (INIS)

    Rimikhanova, A.N.

    2006-01-01

    Full text: In this work the experimental results of the radiation-chemical transformation of hexane on the aluminum surface obtained by IR spectroscopy method at room temperature have been presented. The metallic aluminum plates which was obtained by stage pressing granules by mark of AD-00 with the reflection coefficient R=0,85 in the middle infrared range of waves length λ=15 ± 2,2 mkm were used. As an adsorbate unsaturated vapors of hexane were used, the absorption of which was being carried out at the room temperature by the method. The radiation of system was carried out with γ-quanta of Co 60 with doze rate of 1,03 Gy/s - 1, and the absorbed doze in the system was (0,5-2)10 4 Gy. IR reflection spectra when beams fall on the sample under angle near the slipping were measured in diapason of 3600-650 cm - 1 by the spectrophotometer S pecord 71IR . The radiation chemical decomposition of hexane in heterosystem was being traced in stretching (3000-2700 cm - 1) and deformation (1500-1300 cm - 1) vibration diapasons of C-H bonds. The analysis of IR reflection spectra of Al-ads.hexane heterosystem showed that the main products of radiation chemical transformation are hydrocarbons C1-C5, olefins: propylene, butene-1, hexene-1, transhexene-3 and hydrocarbons more heavy than hexane. In frequency range of 1700-2000 cm - 1 the absorption bands of Al-H vibration which concern to aluminum hydrides are founded. By increasing of radiation dose the tendency of increasing of hydrogen accumulation as aluminum hydrides has been established

  15. N=2 super - W{sub 3}{sup (2)} algebra in superfields

    Energy Technology Data Exchange (ETDEWEB)

    Krivonos, S; Sorin, A [Joint Inst. for Nuclear Research, Dubna (Russian Federation). Lab. of Theoretical Physics; [Istituto Nazionale di Fisica Nucleare, Frascati (Italy); Ivanov, E [Joint Inst. for Nuclear Research, Dubna (Russian Federation). Lab. of Theoretical Physics

    1995-05-01

    It is presented a manifestly N=2 supersymmetric formulation of N=2 super-W{sub 3}{sup (2)} algebra (its classical version) in terms of the spin 1 unconstrained generating a N=2 superconformal subalgebra and the spins 1/2, 2 fermionic constrained supercurrents. It is considered a superfield reduction of N=2 super-W{sub 3}{sup (2)} to N=2 super-W{sub 3} and construct a family of evolution equations for which N=2 super-W{sub 3}{sup (2)} provides the second Hamiltonian structure.

  16. Highly Response and Sensitivity Chitosan-Polyvinyl alcohol Based Hexanal Sensors

    Directory of Open Access Journals (Sweden)

    Abd Wahab Nur Zuraihan

    2016-01-01

    Full Text Available This work is to study the sensing properties of chitosanpolyvinyl alcohol film sensors upon hexanal gas exposure using vapour sensing technique. The sensor fabrication process was done using electrochemical deposition method by deposit the sensing materials on the gold patterned electrode with chitosan/PVA. The response value of chitosan-PVA film sensors towards hexanal was taken as an output voltage using electrical testing method. In this study, 1.75% of chitosan with 5% of PVA were mixed with the ratio of (95:5 was tested upon exposure to hexanal gas. The concentration of the hexanal was varied as 10 ppm, 20 ppm, 30 ppm. It was found that the chitosan-PVA film sensors showed fast response, stable, good stability, good recovery, repeatable and good sensitivity towards hexanal exposure. The morphology of the pure chitosan and chitosan-PVA was analyzed by scanning electron microscope (SEM and the interaction between chitosan and PVA was examined by Fourier Transform Infrared Spectroscopy (FTIR. The FTIR results indicate the changes in characteristics of the spectral peaks due to the formation of the intermolecular bonds between chitosan and PVA. The SEM morphology of the composites showed flat smooth surface that be a sign of uniform distribution of chitosan and PVA mixture throughout the films.

  17. Synthesis of 2-Isopropyl Naphthalene Catalyzed by Et3NHCl-AlCl3 Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    Li Chenmin; Qi Xin; Tang Xiangyang

    2014-01-01

    In this paper, 2-isopropyl naphthalene has been synthesized by the reaction of naphthalene and isopropyl bromide, using triethylamine hydrochloride-aluminum chloride ionic liquid as the catalyst. The effect of the catalyst composition, the reaction time, the reaction temperature, the ionic liquid dosage, as well as the molar ratio of the reagents on the 2-isopropyl naphthalene yield was systematically investigated. The optimal reaction conditions cover:an AlCl3 to Et3NHCl ratio of 2.0, a reaction time of 3 h, a reaction temperature of 15.0℃, a volume fraction of ionic liquid to the mixture (isopropyl bromide, n-dodecane and n-hexane) of 9%, and a naphthalene/isopropyl bromide molar ratio of 4.0. Under the optimal reaction condi-tions, the conversion of isopropyl bromide reached 98%and the selectivity of 2-isopropyl naphthalene was equal to 80%. The test results veriifed good catalytic activity upon using Et3NHCl-AlCl3 ionic liquid as the catalyst for alkylation of naph-thalene with isopropyl bromide. The activity of the ionic liquid remains unchanged after it has been recycled for 4 times.

  18. Application of Silver Ion High-Performance Liquid Chromatography for Quantitative Analysis of Selected n-3 and n-6 PUFA in Oil Supplements.

    Science.gov (United States)

    Czajkowska-Mysłek, Anna; Siekierko, Urszula; Gajewska, Magdalena

    2016-04-01

    The aim of this study was to develop a simple method for simultaneous determination of selected cis/cis PUFA-LNA (18:2), ALA (18:3), GLA (18:3), EPA (20:5), and DHA (22:6) by silver ion high-performance liquid chromatography coupled to a diode array detector (Ag-HPLC-DAD). The separation was performed on three Luna SCX Silver Loaded columns connected in series maintained at 10 °C with isocratic elution by 1% acetonitrile in n-hexane. The applied chromatographic system allowed a baseline separation of standard mixture of n-3 and n-6 fatty acid methyl esters containing LNA, DHA, and EPA and partial separation of ALA and GLA positional isomers. The method was validated by means of linearity, precision, stability, and recovery. Limits of detection (LOD) for considered PUFA standard solutions ranged from 0.27 to 0.43 mg L(-1). The developed method was used to evaluate of n-3 and n-6 fatty acids contents in plant and fish softgel oil capsules, results were compared with reference GC-FID based method.

  19. [KDy(Hptc3(H3ptc]n·2n(Hbipy·5n(H2O, a Layered Coordination Polymer Containing DyO6N3 Tri-Capped Trigonal Prisms (H3ptc = Pyridine 2,4,6-Tricarboxylic Acid, C8H5NO6; Bipy = 2,2'-Bipyridine, C10H8N2

    Directory of Open Access Journals (Sweden)

    Shoaib Anwar

    2012-08-01

    Full Text Available The synthesis, structure and properties of the bimetallic layered coordination polymer, [KDy(C8H3NO63(C8H5NO6]n·2n(C10H9N2·5n(H2O = [KDy(Hptc3(H3ptc]n·2n(Hbipy·5n(H2O, are described. The Dy3+ ion is coordinated by three O,N,O-tridentate doubly-deprotonated pyridine tri-carboxylate (Hptc ligands to generate a fairly regular DyO6N3 tri-capped trigonal prism, with the N atoms acting as the caps. The potassium ion is coordinated by an O,N,O-tridentate H3ptc molecule as well as monodentate and bidentate Hptc ligands to result in an irregular KNO9 coordination geometry. The ligands bridge the metal-atom nodes into a bimetallic, layered, coordination polymer, which extends as corrugated layers in the (010 plane, with the mono-protonated bipyridine cations and water molecules occupying the inter-layer regions: Unlike related structures, there are no dysprosium–water bonds. Many O–HLO and N–HLO hydrogen bonds consolidate the structure. Characterization and bioactivity data are described. Crystal data: C52H42DyKN8O29, Mr = 1444.54, triclinic,  (No. 2, Z = 2, a = 9.188(2 Å, b = 15.7332(17 Å, c = 19.1664(19 Å, α = 92.797(6°, β = 92.319(7°, γ = 91.273(9°, V = 2764.3(7 Å3, R(F = 0.029, wR(F2 = 0.084.

  20. Chemical composition of essential oil and hexane extract and antioxidant activity of various extracts of Acmella uliginosa (Sw. Cass flowers from Indonesia

    Directory of Open Access Journals (Sweden)

    Askal Maimulyanti

    2016-07-01

    Full Text Available Medicinal plants are rich sources of natural antioxidant which are used in the prevention and treatment of disease like artherosclerosis, heart stroke, diabetes and cancer and to delay the process of aging. Acmella uliginosa (Sw. Cass is an edible herb traditionally used in the treatment of many diseases. Analysis of volatile components in the flower extract used gas chromatography-mass spectrometry. The results showed the main components of the essential oil were caryophyllene (21.27%, caryophyllene oxide (15.49%, and 3-carene (10.73%. The main components of the hexane extract were N-isobutyl-2E,6Z,8E-decatrienamide (37.80%, α-pinene (4.98% and hexadacanoic acid-methyl ester (4.78%. The antioxidant activity of A. uliginosa (Sw. Cass flower from Indonesia was determined using 1,1, diphenyl-2-picryl hydrazine (DPPH free radical scavenging assay. The IC50 (defined as the total antioxidant necessary to decrease the initial DPPH radical by 50% of extracts was calculated. A comparative study determined that A. uliginosa (Sw. Cass in methanol extract showed higher antioxidant potential (IC50 = 96.83 μg/mL compared to ethyl acetate extract (IC50 = 123.46 μg/mL and n-hexane extract (905.92 μg/mL against DPPH free radicals.

  1. Phytochemical screening, cytotoxicity and antiviral activity of hexane fraction of Phaleria macrocarpa fruits

    Science.gov (United States)

    Ismaeel, Mahmud Yusef Yusef; Yaacob, Wan Ahmad; Tahir, Mariya Mohd.; Ibrahim, Nazlina

    2015-09-01

    Phaleria macrocarpa fruits have been widely used in the traditional medicine for the treatment of several infections. The current study was done to determine the phytochemical content, cytotoxicity and antiviral activity of the hexane fraction (HF) of P. macrocarpa fruits. In the hexane fraction of P. macarocarpa fruits, phytochemical screening showed the presence of terpenoids whereas saponins, alkaloids, tannins and anthraquinones were not present. Evaluation on Vero cell lines by using MTT assay showed that the 50% cytotoxic concentration (CC50) value was 0.48 mg/mL indicating that the fraction is not cytotoxic. Antiviral properties of the plant extracts were determined by plaque reduction assay. The effective concentration (EC50) was 0.18 mg/mL. Whereas the selective index (SI = CC50/EC50) of hexane fraction is 2.6 indicating low to moderate potential as antiviral agent.

  2. Exposure to volatile organic compounds in an ethanol and gasoline service station.

    Science.gov (United States)

    de Oliveira, K M P G; Martins, E M; Arbilla, G; Gatti, L V

    2007-08-01

    The present study was conducted to determine the VOCs concentrations in a service station located in a residential and commercial area in the city of Rio de Janeiro. This is, to our knowledge, the first published determination in Brazil, where both ethanol and ethanol-blended gasoline are used. Electro polished, stainless steel, evacuated canisters were used for sampling. The analysis was performed by gaschromatography with flame ionization detection (CG-FID) and by gas chromatography-mass spectrometry (CG-MS). A total of 80 and 56 compounds were determined in samples collected at the service station and control location, respectively. The most abundant compounds at the service station were in order of decreasing concentration (units: microg m(-3)): 2-methylbutane (1,715.7), 2-methylbut-1-ene (1,043.2), isobutene (758.8), 2-methylprop-1-ene (703.7), 2-methylpentane (492.1), pentadi-1,3-ene (189.7), toluene (157.0), benzene (144.5), but-2-ene (126.3) and m,p-xylene (123.2). A mean concentration of 144.5 microg m(-3) was determined for benzene, this value is about ten times the concentration determined in the control location in this work and about 70 times the value determined in other locations of Rio de Janeiro using charcoal cartridges for the sampling. The mean benzene/toluene ratios are 0.92 and 0.31 in the service station and control location, respectively. Since in Brazil service station workers are employed to fill customer's cars (self-service is not commonly used) the possible risk of cancer of these workers should be evaluated in a future study.

  3. 40 CFR 721.10175 - 1-Propanaminium, N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-3-sulfo-, N-(C12-18 and C18-unsatd...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 1-Propanaminium, N-(3-aminopropyl)-2... 1-Propanaminium, N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-3-sulfo-, N-(C12-18 and C18-unsatd. acyl... chemical substance identified as 1-Propanaminium, N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-3-sulfo-, N-(C12...

  4. Influence of Pt nanoparticles modified by La and Ce oxides on catalytic dehydrocyclization of n-alkanes

    Directory of Open Access Journals (Sweden)

    A.H. Samia

    2015-06-01

    Full Text Available Catalytic reforming accounts for a large share of the world’s gasoline production, it is the most important source of aromatics for the petrochemical industry. In addition, reforming of hydrocarbon on the dual-function catalysts has been found to form fundamentally different products in hydrogen diluents. Typical catalysts employed for this reforming process are Pt/Al2O3 and Pt-M/Al2O3, M being the promoter. These solids are characterized by both acid and metal functions which catalyze dehydrocyclization, dehydrogenation, isomerization and cracking processes. In this regard, information about cerium and lanthanum, as promoters, is hardly revealed. The present work aims to study the performance of Pt/Al2O3 catalysts modified by lanthanum or cerium during the conversion of cyclohexane, n-hexane and n-heptane. Catalytic activities of the prepared catalysts were tested using a micro catalytic pulse technique. Physicochemical characterization of the solid catalysts such as, surface area (SBET, Fourier transform infrared (FTIR, differential scanning calorimetry (DSC, thermogravimetric analysis (TGA, hydrogen-temperature programed reduction (H2-TPR, hydrogen-temperature-programed desorption (H2-TPD, CO2-TPD, NH3-TPD, high resolution transmission electron microscopy (HRTEM and X-ray diffraction (XRD were depicted. Results indicated clearly that Pt/Al2O3 catalyst is selective toward dehydrogenation to benzene which could be explained as due to the decrease in the active acid sites and the comparative segregation of the alumina support especially at 3% load of CeO. The presence of La2O3 in the Pt/Al2O3 catalyst promotes aromatization of n-hexane and n-heptane, also the dehydrocyclization of n-hexane is more difficult than that of n-heptane. Thus, modification of the Pt/Al2O3 catalyst by La, resulted in a more active and selective reforming catalyst.

  5. Proteomic analysis reveals resistance mechanism against biofuel hexane in Synechocystis sp. PCC 6803

    Directory of Open Access Journals (Sweden)

    Liu Jie

    2012-09-01

    Full Text Available Abstract Background Recent studies have demonstrated that photosynthetic cyanobacteria could be an excellent cell factory to produce renewable biofuels and chemicals due to their capability to utilize solar energy and CO2 as the sole energy and carbon sources. Biosynthesis of carbon-neutral biofuel alkanes with good chemical and physical properties has been proposed. However, to make the process economically feasible, one major hurdle to improve the low cell tolerance to alkanes needed to be overcome. Results Towards the goal to develop robust and high-alkane-tolerant hosts, in this study, the responses of model cyanobacterial Synechocystis PCC 6803 to hexane, a representative of alkane, were investigated using a quantitative proteomics approach with iTRAQ - LC-MS/MS technologies. In total, 1,492 unique proteins were identified, representing about 42% of all predicted protein in the Synechocystis genome. Among all proteins identified, a total of 164 and 77 proteins were found up- and down-regulated, respectively. Functional annotation and KEGG pathway enrichment analyses showed that common stress responses were induced by hexane in Synechocystis. Notably, a large number of transporters and membrane-bound proteins, proteins against oxidative stress and proteins related to sulfur relay system and photosynthesis were induced, suggesting that they are possibly the major protection mechanisms against hexane toxicity. Conclusion The study provided the first comprehensive view of the complicated molecular mechanism employed by cyanobacterial model species, Synechocystis to defend against hexane stress. The study also provided a list of potential targets to engineer Synechocystis against hexane stress.

  6. The Phenolic Compound from Kalanchoe blossfeldiana (Crassulaceae Leaf and Its Antiplasmodial Activity against Plasmodium falciparum 3D7

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    Yenny Febriani Yun

    2016-08-01

    Full Text Available Various species of Kalanchoe plants have been widely used as raw materials in traditional medicines. This study was the continuation of the researches on secondary metabolites from Indonesia Kalanchoe plants, focused on Kalanchoe blossfeldiana. Fresh K. blossfeldiana leaf was extracted with methanol at room temperature to obtain the concentrated extract. The concentrated methanol extract was dissolved in water and then partitioned successively with n-hexane and ethyl acetate. The methanol, n-hexane, ethyl acetate extracts were tested using antiplasmodial assay against Plasmodium falciparum 3D7. The IC50 of methanol, n-hexane, and ethyl acetate extract were 13.002; 2.807, and 11 nM, respectively. Ethyl acetate extract was separated by the combination of chromatography on silica and ODS. This process produced the yellow solid. The chemical structure of the compound was determined based on UV, IR, MS, 1H-NMR, and 13C-NMR analyses and the comparison of data obtained from the literature and identified as phenolic compound, namely 3,3',4',5,7-pentahydroxyflavone or quercetin (1, and displayed antiplasmodial activity with IC50 3.97x10-2 nM.

  7. Syntheses and multi-NMR study of fac- and mer-OsO(3)F(2)(NCCH(3)) and the X-ray crystal structure (n = 2) and Raman spectrum (n = 0) of fac-OsO(3)F(2)(NCCH(3)).nCH(3)CN.

    Science.gov (United States)

    Hughes, Michael J; Gerken, Michael; Mercier, Hélène P A; Schrobilgen, Gary J

    2010-06-07

    Dissolution of the infinite chain polymer, (OsO(3)F(2))(infinity), in CH(3)CN solvent at -40 degrees C followed by solvent removal under vacuum at -40 degrees C yielded fac-OsO(3)F(2)(NCCH(3)).nCH(3)CN (n >/= 2). Continued pumping at -40 degrees C with removal of uncoordinated CH(3)CN yielded fac-OsO(3)F(2)(NCCH(3)). Both fac-OsO(3)F(2)(NCCH(3)).nCH(3)CN and fac-OsO(3)F(2)(NCCH(3)) are yellow-brown solids and were characterized by low-temperature (-150 degrees C) Raman spectroscopy. The crystal structure (-173 degrees C) of fac-OsO(3)F(2)(NCCH(3)).2CH(3)CN consists of two co-crystallized CH(3)CN molecules and a pseudo-octahedral OsO(3)F(2).NCCH(3) molecule in which three oxygen atoms are in a facial arrangement and CH(3)CN is coordinated trans to an oxygen atom in an end-on fashion. The Os---N bond length (2.205(3) A) is among the shortest M---N adduct bonds observed for a d(0) transition metal oxide fluoride. The (19)F NMR spectrum of (OsO(3)F(2))(infinity) in CH(3)CN solvent (-40 degrees C) is a singlet (-99.6 ppm) corresponding to fac-OsO(3)F(2)(NCCH(3)). The (1)H, (15)N, (13)C, and (19)F NMR spectra of (15)N-enriched OsO(3)F(2)(NCCH(3)) were recorded in SO(2)ClF solvent (-84 degrees C). Nitrogen-15 enrichment resulted in splitting of the (19)F resonance of fac-OsO(3)F(2)((15)NCCH(3)) into a doublet ((2)J((15)N-(19)F), 21 Hz). In addition, a doublet of doublets ((2)J((19)F(ax)-(19)F(eq)), 134 Hz; (2)J((15)N-(19)F(eq)), 18 Hz) and a doublet ((2)J((19)F(ax)-(19)F(eq)), 134 Hz) were observed in the (19)F NMR spectrum that have been assigned to mer-OsO(3)F(2)((15)NCCH(3)); however, coupling of (15)N to the axial fluorine-on-osmium environment could not be resolved. The nitrogen atom of CH(3)CN is coordinated trans to a fluorine ligand in the mer-isomer. Quantum-chemical calculations at the SVWN and B3LYP levels of theory were used to calculate the energy-minimized gas-phase geometries, vibrational frequencies of fac- and mer-OsO(3)F(2)(NCCH(3)) and of CH(3)CN. The

  8. N-(4-Chloro-1,3-benzothiazol-2-yl-2-(3-methylphenylacetamide monohydrate

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    H. S. Yathirajan

    2011-10-01

    Full Text Available In the title compound, C16H13ClN2OS·H2O, the dihedral angle between the mean planes of the benzothiazole ring system and the methylphenyl ring is 79.3 (6°. The crystal packing features intermolecular O—H...N, O—H...O and N—H...O hydrogen bonds involving the water molecule and weak C—H...O, C—H...Cg and π–π stacking interactions [centroid–centroid distances = 3.8743 (7, 3.7229 (7 and 3.7076 (8 Å].

  9. Bis(2,3,5,6-tetra-2-pyridylpyrazine-κ3N2,N1,N6iron(II bis(dicyanamidate 4.5-hydrate

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    R. Cortés

    2010-03-01

    Full Text Available In the title compound, [Fe(C24H16N62][N(CN2]2·4.5H2O, the central iron(II ion is hexacoordinated by six N atoms of two tridentate 2,3,5,6-tetra-2-pyridylpyrazine (tppz ligands. Two dicyanamide anions [dca or N(CN2−] act as counter-ions, and 4.5 water molecules act as solvation agents. The structure contains isolated cationic iron(II–tppz complexes and the final neutrality is obtained with the two dicyanamide anions. One of the dicyanamide anions and a water molecule are disordered with an occupancy ratio of 0.614 (8:0.386 (8. O—H...O, O—H...N and C—H...O hydrogen bonds involving dca, water and tppz molecules are observed.

  10. Aromatization of n-octane over Pd/C catalysts

    KAUST Repository

    Yin, Mengchen; Natelson, Robert H.; Campos, Andrew A.; Kolar, Praveen; Roberts, William L.

    2013-01-01

    Gas-phase aromatization of n-octane was investigated using Pd/C catalyst. The objectives were to: (1) determine the effects of temperature (400-600 °C), weight hourly space velocity (WHSV) (0.8-∞), and hydrogen to hydrocarbon molar ratio (MR) (0-6) on conversion, selectivity, and yield (2) compare the activity of Pd/C with Pt/C and Pt/KL catalysts and (3) test the suitability of Pd/C for aromatization of different alkanes including n-hexane, n-heptane, and n-octane. Pd/C exhibited the best aromatization performance, including 54.4% conversion and 31.5% aromatics yield at 500 °C, WHSV = 2 h-1, and a MR of 2. The Pd/C catalyst had higher selectivity towards the preferred aromatics including ethylbenzene and xylenes, whereas Pt/KL had higher selectivity towards benzene and toluene. The results were somewhat consistent with adsorbed n-octane cyclization proceeding mainly through the six-membered ring closure mechanism. In addition, Pd/C was also capable of catalyzing aromatization of n-hexane and n-heptane. © 2012 Elsevier Ltd. All rights reserved.

  11. Catena-poly[[bis(1H-benzotriazole-kappaN3)cobalt(II)]-di-mu-tricyanomethanido-kappa2N:N'] and catena-poly[[bis(3,5-dimethyl-1H-pyrazole-kappaN2)manganese(II)]-di-mu-tricyanomethanido-kappa2N:N'].

    Science.gov (United States)

    Shao, Ze-Huai; Luo, Jun; Cai, Rui-Fang; Zhou, Xi-Geng; Weng, Lin-Hong; Chen, Zhen-Xia

    2004-06-01

    Two new one-dimensional coordination polymers, viz. the title compounds, [Co[C(CN)(3)](2)(C(6)H(5)N(3))(2)](n), (I), and [Mn[C(CN)(3)](2)(C(5)H(8)N(2))(2)](n), (II), have been synthesized and characterized by X-ray diffraction. Both complexes consist of linear chains with double 1,5-tricyanomethanide bridges between neighbouring divalent metal ions. The Co and Mn atoms are located on centres of inversion. In (I), the coordination environment of the Co(II) atom is that of an elongated octahedron. The Co(II) atom is coordinated in the equatorial plane by four nitrile N atoms of four bridging tricyanomethanide ions, with Co-N distances of 2.106 (2) and 2.110 (2) A, and in the apical positions by two N atoms from the benzotriazole ligands, with a Co-N distance of 2.149 (2) A. The [Co[C(CN)(3)](2)(C(6)H(5)N(3))(2)] units form infinite chains extending along the a axis. These chains are crosslinked via a hydrogen bond between the uncoordinated nitrile N atom of a tricyanomethanide anion and the H atom on the uncoordinated N atom of a benzotriazole ligand from an adjacent chain, thus forming a three-dimensional network structure. In (II), the Mn(II) atom also adopts a slightly distorted octahedral geometry, with four nitrile N atoms of tricyanomethanide ligands [Mn-N = 2.226 (2) and 2.227 (2) A] in equatorial positions and two N atoms of the monodentate 3,5-dimethylpyrazole ligands [Mn-N = 2.231 (2) A] in the axial sites. In (II), one-dimensional polymeric chains extending along the b axis are formed, with tricyanomethanide anions acting as bidentate bridging ligands. A hydrogen bond between the uncoordinated nitrile N atom of the tricyanomethanide ligand and the H atom on the uncoordinated N atom of a 3,5-dimethylpyrazole group from a neighbouring chain links the molecule into a two-dimensional layered structure.

  12. Multiple anion...π interactions in tris(1,10-phenanthroline-κ(2)N,N')iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate.

    Science.gov (United States)

    Setifi, Zouaoui; Domasevitch, Konstantin V; Setifi, Fatima; Mach, Pavel; Ng, Seik Weng; Petříček, Vaclav; Dušek, Michal

    2013-11-01

    In the ionic structure of the title compound, [Fe(C12H8N2)3](C9H5N4O2)2·H2O, the octahedral tris-chelate [Fe(phen)3](2+) dications [Fe-N = 1.9647 (14)-1.9769 (14) Å; phen is 1,10-phenathroline] afford one-dimensional chains by a series of slipped π-π stacking interactions [centroid-to-centroid distances = 3.792 (3) and 3.939 (3) Å]. The 1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide anions, denoted tcnoetOH(-), reveal an appreciable delocalization of π-electron density, involving the central propenide [C-C = 1.383 (3)-1.401 (2) Å] fragment and four nitrile groups, and this is also supported by density functional theory (DFT) calculations at the B97D/6-311+G(2d,2p) level. Primary noncovalent inter-moiety interactions comprise conventional O-H...O(N) and weak C-H...O(N) hydrogen bonding [O...O(N) = 2.833 (2)-3.289 (5) Å and C...O(N) = 3.132 (2)-3.439 (2) Å]. The double anion...π interaction involving a nitrile group of tcnoetOH(-) and two cis-positioned pyridine rings (`π-pocket') of [Fe(phen)3](2+) [N...centroid = 3.212 (2) and 3.418 (2) Å] suggest the relevance of anion...π stackings for charge-diffuse polycyanoanions and common M-chelate species.

  13. Tuning of magnetic frustration in S = 1 / 2 Kagomé lattices {[Cu3(CO3)2(bpe)3](CLO4)2}n and {[Cu3(CO3)2(bpy)3](CLO4)2}n through rigid and flexible ligands

    Science.gov (United States)

    Ajeesh, M. O.; Yogi, A.; Padmanabhan, M.; Nath, R.

    2015-04-01

    Single crystalline and polycrystalline samples of S = 1 / 2 Kagomé lattices { [Cu3(CO3)2(bpe)3 ](CLO4)2 } n and { [Cu3(CO3)2(bpy)3 ](CLO4)2 } n, respectively were synthesized. Their structural and magnetic properties were characterized by means of x-ray diffraction and magnetization measurements. Both compounds crystalize in a hexagonal structure (space group P-6) consisting of CuO4 Kagomé layers in the ab-plane but linked along c direction through either rigid bpy or flexible bpe ligands to form 3D frame works. Magnetic measurements reveal that both the compounds undergo ferromagnetic ordering (TC) at low temperatures and the TC and the extent of frustration could be tuned by changing the nature of the pillar ligands. {[Cu3(CO3)2(bpe)3](CLO4)2}n which is made up of flexible bpe ligands has a TC of 5.7 K and a Curie-Weiss temperature (θCW) of -39.7 K giving rise to a frustration parameter of |θCW | /TC ≃ 6.96. But the replacement of bpe by a more rigid and electronically delocalized bpy ligand leads to an enhanced TC ≃ 9.3 K and a reduced frustration parameter of |θCW | /TC ≃ 3.54.

  14. Primary amino acid derivatives: substitution of the 4'-N'-benzylamide site in (R)-N'-benzyl 2-amino-3-methylbutanamide, (R)-N'-benzyl 2-amino-3,3-dimethylbutanamide, and (R)-N'-benzyl 2-amino-3-methoxypropionamide provides potent anticonvulsants with pain-attenuating properties.

    Science.gov (United States)

    King, Amber M; Salomé, Christophe; Salomé-Grosjean, Elise; De Ryck, Marc; Kaminski, Rafal; Valade, Anne; Stables, James P; Kohn, Harold

    2011-10-13

    Recently, we reported that select N'-benzyl 2-substituted 2-amino acetamides (primary amino acid derivatives (PAADs)) exhibited pronounced activities in established whole animal anticonvulsant (i.e., maximal electroshock seizure (MES)) and neuropathic pain (i.e., formalin) models. The anticonvulsant activities of C(2)-hydrocarbon N'-benzyl 2-amino acetamides (MES ED(50) = 13-21 mg/kg) exceeded those of phenobarbital (ED(50) = 22 mg/kg). Two additional studies defining the structure-activity relationship of PAADs are presented in this issue of the journal. In this study, we demonstrated that the anticonvulsant activities of (R)-N'-benzyl 2-amino-3-methylbutanamide and (R)-N'-benzyl 2-amino-3,3-dimethylbutanamide were sensitive to substituents at the 4'-N'-benzylamide site; electron-withdrawing groups retained activity, electron-donating groups led to a loss of activity, and incorporating either a 3-fluorobenzyloxy or 3-fluorophenoxymethyl group using a rationally designed multiple ligand approach improved activity. Additionally, we showed that substituents at the 4'-N'-benzylamide site of (R)-N'-benzyl 2-amino-3-methoxypropionamide also improved anticonvulsant activity, with the 3-fluorophenoxymethyl group providing the largest (∼4-fold) increase in activity (ED(50) = 8.9 mg/kg), a value that surpassed phenytoin (ED(50) = 9.5 mg/kg). Collectively, the pharmacological findings provided new information that C(2)-hydrocarbon PAADs represent a novel class of anticonvulsants.

  15. Thermodynamics of coproportionation reactions of homogeneous samarium (3) and yttrium (3) nitrates solvates with neutral organic phosphorus compounds

    International Nuclear Information System (INIS)

    Pyartman, A.K.

    1995-01-01

    Reaction heats of homogeneous samarium (3) and yttrium (3) nitrate solvates coproportionation with neutral organophosphoric compounds (tri-n.-butylphosphate, diisooctylmethylphosphonate, diisoamylmethylphosphonate) at T=298.15 K in hexane have been measured by thermochemical method. It has been ascertained that enthalpies of coproportionation reactions practically do not depend on the nature, concentration of rare earth metal (3) nitrate solvates in hexane, nature of neutral organophosphoric compound and constitute 1.1±-.2 kJ/mol. The Gibbs free energy of coproportionation reactions is -5.43 kJ/mol, while entropy of the reactions in 14.5±0.7 J/mol·K. 8 refs., 1 tab

  16. 1-Decyl-6-nitro-1H-benzimidazol-2(3H-one

    Directory of Open Access Journals (Sweden)

    Younes Ouzidan

    2011-11-01

    Full Text Available The title molecule, C17H25N3O3, is built up from fused six- and five-membered rings linked to a –C10H21 chain. The fused-ring system is essentially planar, the largest deviation from the mean plane being 0.009 (2 Å. The chain is roughly perpendicular to this plane, making a dihedral angle of 79.5 (2°. In the crystal, N—H...O hydrogen bonds build infinite chains along [010]. There are channels in the structure containing disordered hexane. The contribution of this solvent to the scattering power was suppressed using the SQUEEZE option in PLATON [Spek (2009. Acta Cryst. D65, 148–155].

  17. Superfield realizations of N=2 super-W3

    International Nuclear Information System (INIS)

    Ivanov, E.; Krivonos, S.

    1992-04-01

    We present a manifestly N=2 supersymmetric formulation of N=2 super-W 3 algebra (its classical version) in terms of the spin 1 and spin 2 supercurrents. Two closely related types of the Feigin-Fuchs representation for these supercurrents are found: via two chiral spin 1/2 superfields generating N=2 extended U(1) Kac-Moody algebras and via two free chiral spin 0 superfields. We also construct a one-parameter family of N=2 super Boussinesq equations for which N=2 super-W 3 provides the second Hamiltonian structure. (author). 17 refs

  18. Crystal structure of (2E,3E-N2,N3-bis(3-ethyl-[1,1′-biphenyl]-4-ylbutane-2,3-diimine

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    Yan Zhao

    2015-04-01

    Full Text Available In the title compound, C32H32N2, synthesized by the condensation reaction of 2-ethyl-4-phenylaniline and 2,3-butanedione, the conformation about the C=N bonds is E and the substituted biphenyl units are trans to one another. In the two biphenyl ring systems, the planes of the two rings are inclined to one another by 25.25 (19 and 28.01 (19°. The planes of the ethyl-substituted benzene rings are inclined to one another by 20.23 (19° and to the mean plane of the butane-2,3-diimine unit [maximum deviation = 0.014 (4 Å] by 83.19 (19 and 63.38 (19°. In the crystal, molecules are linked by C—H...π interactions, forming sheets lying parallel to (101.

  19. Spermicidal activity of the hexane extract of Piper longum: an in vitro study.

    Science.gov (United States)

    Sarwar, Abu Hasnath Md Golam; Nirala, Ranjeet Kumar; Arif, Mohammed; Khillare, Beena; Thakur, Sonu Chand

    2015-01-01

    This study was carried out to assess the spermicidal action of hexane extract from the fruits of Piper longum Linn. The sperm immobilisation studies showed that 20 mg/mL of hexane extract was able to immobilise sperms completely within 20 s. The sperm revival test revealed that the effects were spermicidal as sperm immobilisation effect was irreversible. There was also a significant reduction in sperm viability in the treated group in comparison to the control. The hypo-osmotic swelling of these sperms was significantly reduced, indicating that the hexane extract may probably cause injury to the sperm plasma membrane. Hence, this study showed that the hexane extract of P. longum possesses potential contraceptive spermicidal activity in vitro.

  20. Lipase Catalyzed Kinetic Resolution of rac-2-(3-Methoxy-4-methylphenyl) propan-1-ol and rac-2-(3-Hydroxy-4-methylphenyl)propyl propanoate for S-(+)-Xanthorrhizol

    International Nuclear Information System (INIS)

    Shafioul, Azam Sharif Mohammed; Cheong, Chan Seong

    2012-01-01

    Xanthorrhizol is a bisabolane type of natural sesquiterpene, the major component of essential oils of Curcuma xanthorrhiza. 2-(3-Methoxy-4-methylphenyl)propan-1-ol and 2-(3-hydroxy-4-methyl phenyl)propan-1-ol could be essential building block for enantioselective synthesis of xanthorrhizol. Enantioselective (c = 53%, E = 80 ± 3) for R-(+)-2-(3-hydroxy-4-methylphenyl) propan-1-ol and (c = 58%, E = 27 ± 1) for R-(+)-2-(3- methoxy-4-methylphenyl) propan-1-ol resolution processes were developed via lipase-catalyzed reaction. We found lipase Aspergillus oryzae (AOL) and Porcine pancreas (PPL) are selective to transesterification and hydrolysis in organic and aqueous phase. Modified demethylated substrate is appropriate for enantioselective hydrolysis reaction without any additives. Enantiopure chiral alcohol was crystallized from ethyl acetate/ n-hexane co-solvent system. Gram scale resolved chiral intermediate will facilitate the synthesis of the unnatural S-(+)-xanthorrhizol, the corresponding isomer of the natural one

  1. Lipase Catalyzed Kinetic Resolution of rac-2-(3-Methoxy-4-methylphenyl) propan-1-ol and rac-2-(3-Hydroxy-4-methylphenyl)propyl propanoate for S-(+)-Xanthorrhizol

    Energy Technology Data Exchange (ETDEWEB)

    Shafioul, Azam Sharif Mohammed [University of Science and Technology, Daejeon (Korea, Republic of); Cheong, Chan Seong [Korea Institute of Science and Technology, Seoul (Korea, Republic of)

    2012-02-15

    Xanthorrhizol is a bisabolane type of natural sesquiterpene, the major component of essential oils of Curcuma xanthorrhiza. 2-(3-Methoxy-4-methylphenyl)propan-1-ol and 2-(3-hydroxy-4-methyl phenyl)propan-1-ol could be essential building block for enantioselective synthesis of xanthorrhizol. Enantioselective (c = 53%, E = 80 ± 3) for R-(+)-2-(3-hydroxy-4-methylphenyl) propan-1-ol and (c = 58%, E = 27 ± 1) for R-(+)-2-(3- methoxy-4-methylphenyl) propan-1-ol resolution processes were developed via lipase-catalyzed reaction. We found lipase Aspergillus oryzae (AOL) and Porcine pancreas (PPL) are selective to transesterification and hydrolysis in organic and aqueous phase. Modified demethylated substrate is appropriate for enantioselective hydrolysis reaction without any additives. Enantiopure chiral alcohol was crystallized from ethyl acetate/ n-hexane co-solvent system. Gram scale resolved chiral intermediate will facilitate the synthesis of the unnatural S-(+)-xanthorrhizol, the corresponding isomer of the natural one.

  2. Poly[dimethanolbis[μ-5-(3-pyridyltetrazolato-κ2N2:N5]copper(II

    Directory of Open Access Journals (Sweden)

    Xiao-Hong Wei

    2010-05-01

    Full Text Available In the crystal structure of the title complex, [Cu(C6H4N52(CH3OH2]n, the CuII cation lies on an inversion center and is coordinated by four 5-(3-pyridyltetrazolate anions and two methanol molecules in an elongated distorted CuN4O2 octahedral geometry. Each 5-(3-pyridyltetrazolate anion bridges two CuII cations, forming a two-dimensional polymeric complex with (4,4 network topology. In the crystal structure, the two-dimensional layers are connected by intermolecular O—H...N hydrogen bonding, forming a three-dimensional supramolecular architecture.

  3. Flourensia cernua: Hexane Extracts a Very Active Mycobactericidal Fraction from an Inactive Leaf Decoction against Pansensitive and Panresistant Mycobacterium tuberculosis

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    Gloria María Molina-Salinas

    2011-01-01

    Full Text Available The efficacy of decoction in extracting mycobactericidal compounds from Flourensia cernua (Hojasé leaves and fractionation with solvents having ascending polarity was compared with that of (i ethanol extraction by still maceration, extraction with a Soxhlet device, shake-assisted maceration, or ultrasound-assisted maceration, followed by fractionation with n-hexane, ethyl acetate, and n-butanol; (ii sequential extraction with n-hexane, ethyl acetate, and n-butanol, by still maceration, using a Soxhlet device, shake-assisted maceration, or ultrasound-assisted maceration. The in vitro mycobactericidal activity of each preparation was measured against drug-sensitive (SMtb and drug-resistant (RMtb Mycobacterium tuberculosis strains. The results of which were expressed as absolute mycobactericidal activity (AMA. These data were normalized to the ΣAMA of the decoction fraction set. Although decoction was inactive, the anti-RMtb normalized ΣAMA (NAMA of its fractions was comparable with the anti-RMtb NAMA of the still maceration extracts and significantly higher than the anti-SMtb and anti-RMtb NAMAs of every other ethanol extract and serial extract and fraction. Hexane extracted, from decoction, material having 55.17% and 92.62% of antituberculosis activity against SMtb and RMtb, respectively. Although the mycobactericidal activity of decoction is undetectable; its efficacy in extracting F. cernua active metabolites against M. tuberculosis is substantially greater than almost all pharmacognostic methods.

  4. catena-Poly[[bis[2-(2,3-dimethylanilinobenzoato-κO]cadmium(II]-di-μ-3-pyridylmethanol-κ2N:O;κ2O:N

    Directory of Open Access Journals (Sweden)

    Tadeusz Lis

    2008-03-01

    Full Text Available In the crystal structure of the title compound, [Cd(C15H14NO22(C6H7NO2]n, the Cd atom displays a distorted octahedral geometry, including two pyridine N atoms and two hydroxyl O from four symmetry-related 3-pyridylmethanol (3-pyme ligands and two carboxylate O atoms from mefenamate [2-(2,3-dimethylanilinobenzoate] anions. The Cd atoms are connected via the bridging 3-pyme ligands into chains, that extend in the a-axis direction. The Cd atom is located on a center of inversion, whereas the 3-pyme ligands and the mefenamate anions occupy general positions.

  5. Photocatalytic decomposition of N2O over TiO2/g-C3N4 photocatalysts heterojunction

    Science.gov (United States)

    Kočí, K.; Reli, M.; Troppová, I.; Šihor, M.; Kupková, J.; Kustrowski, P.; Praus, P.

    2017-02-01

    TiO2/g-C3N4 photocatalysts with the various TiO2/g-C3N4 weight ratios from 1:2 to 1:6 were fabricated by mechanical mixing in water suspension followed by calcination. Pure TiO2 was prepared by thermal hydrolysis and pure g-C3N4 was prepared from commercial melamine by thermal annealing at 620 °C. All the nanocomposites were characterized by X-ray powder diffraction, UV-vis diffuse reflectance spectroscopy, Raman spectroscopy, infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, photoelectrochemical measurements and nitrogen physisorption. The prepared mixtures along with pure TiO2 and g-C3N4 were tested for the photocatalytic decomposition of nitrous oxide under UVC (λ = 254 nm), UVA (λ = 365 nm) and Vis (λ > 400 nm) irradiation. The TiO2/g-C3N4 nanocomposites showed moderate improvement compared to pure g-C3N4 but pure TiO2 proved to be a better photocatalyst under UVC irradiation. However, under UVA irradiation conditions, the photocatalytic activity of TiO2/g-C3N4 (1:2) nanocomposite exhibited an increase compared to pure TiO2. Nevertheless, further increase of g-C3N4 amount leads/led to a decrease in reactivity. These results are suggesting the nanocomposite with the optimal weight ratio of TiO2 and g-C3N4 have shifted absorption edge energy towards longer wavelengths and decreased the recombination rate of charge carriers compared to pure g-C3N4. This is probably due to the generation of heterojunction on the TiO2/g-C3N4 interface.

  6. The Cryogenic Test Bed experiments: Cryogenic heat pipe flight experiment CRYOHP (STS-53). Cryogenic two phase flight experiment CRYOTP (STS-62). Cryogenic flexible diode flight experiment CRYOFD

    Science.gov (United States)

    Thienel, Lee; Stouffer, Chuck

    1995-09-01

    This paper presents an overview of the Cryogenic Test Bed (CTB) experiments including experiment results, integration techniques used, and lessons learned during integration, test and flight phases of the Cryogenic Heat Pipe Flight Experiment (STS-53) and the Cryogenic Two Phase Flight Experiment (OAST-2, STS-62). We will also discuss the Cryogenic Flexible Diode Heat Pipe (CRYOFD) experiment which will fly in the 1996/97 time frame and the fourth flight of the CTB which will fly in the 1997/98 time frame. The two missions tested two oxygen axially grooved heat pipes, a nitrogen fibrous wick heat pipe and a 2-methylpentane phase change material thermal storage unit. Techniques were found for solving problems with vibration from the cryo-collers transmitted through the compressors and the cold heads, and mounting the heat pipe without introducing parasitic heat leaks. A thermally conductive interface material was selected that would meet the requirements and perform over the temperature range of 55 to 300 K. Problems are discussed with the bi-metallic thermostats used for heater circuit protection and the S-Glass suspension straps originally used to secure the BETSU PCM in the CRYOTP mission. Flight results will be compared to 1-g test results and differences will be discussed.

  7. [Ag(NH3)2]Ag(OsO3N)2: a new nitridoosmate(VIII)

    International Nuclear Information System (INIS)

    Wickleder, M.S.; Pley, Martin

    2004-01-01

    Dark brown single crystals of [Ag(NH 3 ) 2 ]Ag(OsO 3 N) 2 were obtained from the reaction of Ag 2 CO 3 , OsO 4 , and NH 3 in aqueous solution. The crystal structure was solved in the monoclinic space group C2/m, with the following unit-cell dimensions: a=1962.5(3), b=633.1(1), c=812.6(1) pm, β=96.71(1) deg. The final reliability factor was R=0.0256 for 1034 reflections with I>2σ(I). Linear [Ag(NH 3 ) 2 ] + ions are present oriented perpendicular to the [010] direction, leading to short Ag + -Ag + distances of 316 pm. A second type of Ag + ions in the crystal structure present coordination number '6+1' and are surrounded by oxygen and nitrogen atoms of the nitridoosmate groups. Within the first of the two crystallographically distinguishable anions one can clearly differentiate between oxygen and nitrogen atoms while the second one exhibits a N/O disorder over two positions. The infrared spectrum of [Ag(NH 3 ) 2 ]Ag(OsO 3 N) 2 shows the typical absorptions which can be attributed to the complex anions and the NH 3 ligands

  8. Estructura cristalina del N-isopropil-2-ciano-3(5'-nitrofurilacrilamida Crystal structure of N-isopropyl-2-cyano-3(5'-nitrofurylacrylamide

    Directory of Open Access Journals (Sweden)

    Ramón Pomés Hernandéz

    1997-12-01

    Full Text Available C11H11N3O4 , Mr = 249.23, triclinic, , a = 5.453(1, b = 22.873(5, c = 4.893(1 Å, a = 94.47(3, b = 96.36(3, g = 86.27(3º, V = 603.7(8ų,Z = 2, Dx = 1.371 Mg/m-3,l(Cu Ka1 = 1.54178Å, m = 0.86mm-1, room temperature. The crystal structure of N-isopropyl-2-cyano-3(5'-nitrofuryl - acrylamide has been determined by Direct Methods and refined to R = 0.086 for 797 observed reflections. The molecules in the crystal are packed at normal van der Waals forces and by an hydrogen bond between N1-H1...02i (N1...02i: 2.910(1Å, with i=x,y,z+1.

  9. X-ray structural study of Nd[N(CN)2]3x2OP(NMe2)3

    International Nuclear Information System (INIS)

    Kapshuk, A.A.; Skopenko, V.V.

    1985-01-01

    The results of X-ray structure study of Nd(N(CN) 2 ) 3 x2OP(NMe) 2 ) 3 are presented. The crystals are monoclinic: a=12,787(6), b=17.731(9), c=15.302(5) A, γ=114.84(3) deg, Z=4, sp.gr. p2 1 /n. The structure is formed of infinite corrugated netting consisting of neodymium atoms, coordinating two OP(NMe 2 ) 3 molecules, and three bidentate-bridge dicyanamide groups. Neodymium coordination number is 8, coordination polyhedron is a distorted twocapped trigonal prism. Certain aspects of crystal chemistry of dicyanamide complexes are discussed

  10. The N=2 super-W3 algebra

    International Nuclear Information System (INIS)

    Romans, L.J.

    1992-01-01

    We present the complete structure of the N=2 super-W 3 algebra, a non-linear extended conformal algebra containing the usual N=2 superconformal algebra (with generators of spins 1, 3/2, 3/2 and 2) and a higher-spin multiplet of generators with spins 2, 5/2, 5/2 and 3. We investigate various sub-algebras and related algebras, and find necessary conditions upon possible unitary representations of the algebra. In particular, the central charge c is restricted to two discrete series, one ascending and one descending to a common accumulation point c=6. The results suggest that the algebra is realised in certain (compact or non-compact) Kazama-Suzuki coset models, including a c=9 model proposed by Bars based on SU(2, 1)/U(2). (orig.)

  11. Effect of hexane extract of spinach in the removal of arsenic from rat

    Directory of Open Access Journals (Sweden)

    Badar Uddin Umar

    2007-03-01

    Full Text Available Extensive search is going on for a cheap, easily available and effective remedy of chronic arsenic poisoning. The present study was designed to find the effects of hexane extract of spinach in the removal of arsenic from arsenic treated rat. Rats were fed arsenic trioxide through Ryle’s tube for one month then they were fed on hexane extract (1-4% of spinach for another one month. Hexane extract of spinach decreased accumulated arsenic from rat liver, spleen, kidney, intestine, lungs and skin significantly. Besides, it reduced the oxidative stress caused by arsenic which was evident by decreased levels of malondialdehye (MDA in the above tissues. Hexane extract decreases both arsenic level and MDA level in rat tissues in dose dependent manner, which is more effective at lower doses.

  12. Effect of hexane extract of spinach in the removal of arsenic from rat

    Directory of Open Access Journals (Sweden)

    Badar Uddin Umar

    2007-06-01

    Full Text Available Extensive search is going on for a cheap, easily available and effective remedy of chronic arsenic poisoning. The present study was designed to find the effects of hexane extract of spinach in the removal of arsenic from arsenic treated rat. Rats were fed arsenic trioxide through Ryle’s tube for one month then they were fed on hexane extract (1-4% of spinach for another one month. Hexane extract of spinach decreased accumulated arsenic from rat liver, spleen, kidney, intestine, lungs and skin significantly. Besides, it reduced the oxidative stress caused by arsenic which was evident by decreased levels of malondialdehyde (MDA in the above tissues. Hexane extract decreases both arsenic level and MDA level in rat tissues in dose dependent manner, which is more effective at lower doses.

  13. mer-Bis[3,5-difluoro-2-(2-pyridylphenyl-κ2C1,N]{5-(2-pyridyl-κN-3-[3-(4-vinylbenzyloxyphenyl]-1,2,4-triazol-1-ido}iridium(III methanol solvate

    Directory of Open Access Journals (Sweden)

    Peter G. Jones

    2010-01-01

    Full Text Available In the title compound, [Ir(C11H6F2N2(C22H17N4O]·CH3OH, the coordination at iridium is essentially octahedral, but with distortions associated with the bite angles of the ligands [76.25 (9–80.71 (12°] and the differing trans influences of C and N ligands [Ir—N = 2.04 Å (average trans to N but 2.14 Å trans to C]. All three bidentate ligands have coordinating ring systems that are almost coplanar [interplanar angles = 1.7 (1–3.8 (2°]. The vinylbenzyl group is disordered over two positions with occupations of 0.653 (4 and 0.347 (4. The methanol solvent molecule is involved in a classical O—H...N hydrogen bond to a triazole N atom.

  14. Varying the Lewis base coordination of the Y2N2 core in the reduced dinitrogen complexes {[(Me3Si)2N]2(L)Y}2(μ-η22-N2) (L = benzonitrile, pyridines, triphenylphosphine oxide, and trimethylamine N-oxide).

    Science.gov (United States)

    Corbey, Jordan F; Farnaby, Joy H; Bates, Jefferson E; Ziller, Joseph W; Furche, Filipp; Evans, William J

    2012-07-16

    The effect of the neutral donor ligand, L, on the Ln(2)N(2) core in the (N═N)(2-) complexes, [A(2)(L)Ln](2)(μ-η(2):η(2)-N(2)) (Ln = Sc, Y, lanthanide; A = monoanion; L = neutral ligand), is unknown since all of the crystallographically characterized examples were obtained with L = tetrahydrofuran (THF). To explore variation in L, displacement reactions between {[(Me(3)Si)(2)N](2)(THF)Y}(2)(μ-η(2):η(2)-N(2)), 1, and benzonitrile, pyridine (py), 4-dimethylaminopyridine (DMAP), triphenylphosphine oxide, and trimethylamine N-oxide were investigated. THF is displaced by all of these ligands to form {[(Me(3)Si)(2)N](2)(L)Y}(2)(μ-η(2):η(2)-N(2)) complexes (L = PhCN, 2; py, 3; DMAP, 4; Ph(3)PO, 5; Me(3)NO, 6) that were fully characterized by analytical, spectroscopic, density functional theory, and X-ray crystallographic methods. The crystal structures of the Y(2)N(2) cores in 2-5 are similar to that in 1 with N-N bond distances between 1.255(3) Å and 1.274(3) Å, but X-ray analysis of the N-N distance in 6 shows it to be shorter: 1.198(3) Å.

  15. Lepton mixing from Δ(3n2 and Δ(6n2 and CP

    Directory of Open Access Journals (Sweden)

    Claudia Hagedorn

    2015-02-01

    Full Text Available We perform a detailed study of lepton mixing patterns arising from a scenario with three Majorana neutrinos in which a discrete flavor group Gf=Δ(3n2 or Gf=Δ(6n2 and a CP symmetry are broken to residual symmetries Ge=Z3 and Gν=Z2×CP in the charged lepton and neutrino sectors, respectively. While we consider all possible Z3 and Z2 generating elements, we focus on a certain set of CP transformations. The resulting lepton mixing depends on group theoretical indices and one continuous parameter. In order to study the mixing patterns comprehensively for all admitted Ge and Gν, it is sufficient to discuss only three types of combinations. One of them requires as flavor group Δ(6n2. Two types of combinations lead to mixing patterns with a trimaximal column, while the third one allows for a much richer structure. For the first type of combinations the Dirac phase as well as one of the Majorana phases are trivial, whereas the other two types of combinations predict in general all CP phases to be non-trivial and also non-maximal. Already for small values of the index n of the group, n≤11, experimental data on lepton mixing can be accommodated well for particular choices of the parameters of the theory. We also comment on the relation of the used CP transformations to the automorphisms of Δ(3n2 and Δ(6n2.

  16. Evaluation excitation functions for "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si, and "1"1"3In(n,γ)"1"1"4"mIn reactions

    International Nuclear Information System (INIS)

    Zolotarev, K.I.

    2014-10-01

    Cross section data for "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si and "1"1"3In(n,γ)"1"1"4"mIn reactions are needed for solving a wide spectrum of scientific and technical tasks. The excitation function of "2"8Si(n,p)"2"8Al reaction refers to the nuclear data involved in fusion reactor design calculations. The "2"8Si(n,p)"2"8Al reaction is interesting also as the monitor reaction for measurements at fusion facilities. Activation detectors on the basis of the 31P(n,p)31Si reaction are commonly used in the reactor dosimetry. The "1"1"3In(n,γ)"1"1"4"mIn reaction is promising regarding reactor dosimetry application for two reasons. First, due to the "1"1"4"mIn decay parameters which are rather suitable for activation measurements. Half-life of "1"1"4"mIn is equal to T_1/_2 = (49.51 ± 0.01) days and gamma spectrum accompanying decay has only one line with energy 190.27 keV and intensity (15.56 ± 0.15)%. Second, the "1"1"3In(n,γ)"1"1"4"mIn reaction rate may be measured by using one activation detector simultaneously with the "1"1"5In(n,γ)"1"1"6"mIn reaction. Preliminary analysis of existing evaluated excitation functions for "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si and "1"1"3In(n,γ)"1"1"4"mIn reactions show that new evaluations are needed for all above mentioned reactions. This report is devoted to the preparation of the new evaluations of cross sections data and related covariance matrixes of uncertainties for the "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si and "1"1"3In(n,γ)"1"1"4"mIn reactions.

  17. Effect of physical exertion on the biological monitoring of exposure to various solvents following exposure by inhalation in human volunteers: II. n-Hexane.

    Science.gov (United States)

    Tardif, Robert; Nadeau, Véronique; Truchon, Ginette; Brochu, Martin

    2007-07-01

    This study evaluated the impact of physical exertion on two n-hexane (HEX) exposure indicators in human volunteers exposed under controlled conditions in an inhalation chamber. A group of four volunteers (two women, two men) were exposed to HEX (50 ppm; 176 mg/m(3)) according to several scenarios involving several periods when volunteers performed either aerobic (AERO), muscular (MUSC), or both AERO/MUSC types of exercise. The target intensities for 30-min exercise periods separated by 15-min rest periods were the following: REST, 50W AERO [time-weighted average intensity including resting period (TWAI): 38W], 50W AERO/MUSC (TWAI: 34W), 100W AERO/MUSC (TWAI: 63W), and 100W AERO (TWAI: 71W) for 7 hr (two 3-hr exposure periods separated by 1 hr without exposure) and 50W MUSC for 3 hr (TWAI: 31W). Alveolar air and urine samples were collected at different time intervals before, during, and after exposure to measure unchanged HEX in expired air (HEX-A) and urinary 2,5-hexanedione (2,5-HD). HEX-A levels during exposures involving AERO activities (TWAI: 38W and 71W) were significantly enhanced (approximately +14%) compared with exposure at rest. MUSC or AERO/MUSC exercises were also associated with higher HEX-A levels but only at some sampling times. In contrast, end-of-exposure (7 hr) urinary 2,5-HD (mean +/- SD) was not modified by physical exertion: 4.14 +/- 1.51 micromol/L (REST), 4.02 +/- 1.52 micromol/L (TWAI 34W), 4.25 +/- 1.53 micromol/L (TWAI 38W), 3.73 +/- 2.09 micromol/L (TWAI 63W), 3.6 +/- 1.34 micromol/L (TWAI 71W) even though a downward trend was observed. Overall, this study showed that HEX kinetics is practically insensitive to moderate variations in workload intensity; only HEX-A levels increased slightly, and urinary 2,5-HD levels remained unchanged despite the fact that all types of physical exercise increased the pulmonary ventilation rate.

  18. Synergistic Extraction of Lactic Acid with Tri-n-Octylamine and Try-n-Butylphosphate

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, Michiaki.; Yuba, Seiji.; Kondo, Kazuo. (Doshisha University, Department of Chemical Engineering and Materials Science (Japan))

    1998-12-01

    Synergistic extraction system of lactic acid is examined to develop to in situ extractive fermentation process. The addition of try-n-butyl phosphate(TBP) to the extraction system of lactic acid(HA) with tri-n-actylamine(TOA) diluted by hexane causes a large synergism. Extraction reaction with the mixed extractant is interpreted quite well based on the formation of mixed complex, HA[center dot]TOA[center dot]2TBP. Though the addition of hexane solution containing TBP and TOA to the culture of Lactobacillus rhamnosus results in low lactate production, some lactate is produced. (author)

  19. Synergistic Extraction of Lactic Acid with Tri-n-Octylamine and Try-n-Butylphosphate

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, Michiaki.; Yuba, Seiji.; Kondo, Kazuo. [Doshisha University, Department of Chemical Engineering and Materials Science (Japan)

    1998-12-01

    Synergistic extraction system of lactic acid is examined to develop to in situ extractive fermentation process. The addition of try-n-butyl phosphate(TBP) to the extraction system of lactic acid(HA) with tri-n-actylamine(TOA) diluted by hexane causes a large synergism. Extraction reaction with the mixed extractant is interpreted quite well based on the formation of mixed complex, HA{center_dot}TOA{center_dot}2TBP. Though the addition of hexane solution containing TBP and TOA to the culture of Lactobacillus rhamnosus results in low lactate production, some lactate is produced. (author)

  20. Effect of the thin Ga2O3 layer in n+-ZnO/n-Ga2O3/p-Cu2O heterojunction solar cells

    International Nuclear Information System (INIS)

    Minami, Tadatsugu; Nishi, Yuki; Miyata, Toshihiro

    2013-01-01

    The influence of inserting a Ga 2 O 3 thin film as an n-type semiconductor layer on the obtainable photovoltaic properties in Cu 2 O-based heterojunction solar cells was investigated with a transparent conductive Al-doped ZnO (AZO) thin film/n-Ga 2 O 3 thin film/p-Cu 2 O sheet structure. It was found that this Ga 2 O 3 thin film can greatly improve the performance of Cu 2 O-based heterojunction solar cells fabricated using polycrystalline Cu 2 O sheets that had been prepared by a thermal oxidization of copper sheets. The obtained photovoltaic properties in the AZO/Ga 2 O 3 /Cu 2 O heterojunction solar cells were strongly dependent on the deposition conditions of the Ga 2 O 3 films. The external quantum efficiency obtained in AZO/Ga 2 O 3 /Cu 2 O heterojunction solar cells was found to be greater at wavelengths below approximately 500 nm than that obtained in AZO/Cu 2 O heterojunction solar cells (i.e., prepared without a Ga 2 O 3 layer) at equivalent wavelengths. This improvement of photovoltaic properties is mainly attributed to a decrease in the level of defects at the interface between the Ga 2 O 3 thin film and the Cu 2 O sheet. Conversion efficiencies over 5% were obtained in AZO/Ga 2 O 3 /Cu 2 O heterojunction solar cells fabricated using an n-Ga 2 O 3 thin-film layer prepared with a thickness of 40–80 nm at an O 2 gas pressure of approximately 1.7 Pa by a pulsed laser deposition. - Highlights: • We demonstrate high-efficiency Cu 2 O-based p-n heterojunction solar cells. • A non-doped Ga 2 O 3 thin film was used as an n-type semiconductor layer. • The Ga 2 O 3 thin film was prepared at a low temperature by a low damage deposition. • p-type Cu 2 O sheets prepared by thermal oxidization of copper sheets were used. • Conversion efficiencies over 5% were obtained in AZO/n-Ga 2 O 3 /p-Cu 2 O solar cells

  1. Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Kurten, T.; Enghoff, Martin Andreas Bødker

    2011-01-01

    that anionic O-2(-)(H2O)n and O-3(-)(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding....... Although clustering up to 12 H2O, we find that the O-2 and O-3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O-2(-) and O-3(-) speicies are thus accessible for further reactions. We consider the distributions of cluster sizes as function of altitude before...

  2. 1,3,4-Tri-O-acetyl-2-N-(trifluoroacetyl-β-l-fucose

    Directory of Open Access Journals (Sweden)

    David C. McCutcheon

    2014-02-01

    Full Text Available The title compound, C14H18F3NO8, was produced through conjugation of 1,3,4-tri-O-acetyl-2-azidodeoxy-α,β-l-fucose with trifluoroacetyl chloride in the presence of bis(diphenylphosphinoethane in tetrahydrofuran at room temperature. The X-ray crystal structure reveals that the β-anomer of the product mixture crystallizes from ethyl acetate/hexanes. The compound exists in a typical chair conformation with the maximum possible number of substituents, four out of five, located in the sterically preferred equatorial positions. The major directional force facilitating packing of the molecules are N—H...O hydrogen bonds involving the amide moieties of neighboring molecules, which connect molecules stacked along the a-axis direction into infinite strands with a C11(4 graph-set motif. Formation of the strands is assisted by a number of weaker C—H...O interactions involving the methine and methyl H atoms. These strands are connected through further C—H...O and C—H...F interactions into a three dimensional network

  3. 2-Vinylpyridine–tris(pentafluorophenylborane hexane monosolvate

    Directory of Open Access Journals (Sweden)

    Marcus Klahn

    2012-04-01

    Full Text Available The title compound, C7H7N·B(C6F53·C6H14, was obtained by the stoichiometric reaction of 2-vinylpyridine and tris(pentafluorophenylborane in toluene. The formed adduct exhibits a restricted rotation along the B—N bond resulting in an asymmetry, which can be also observed in the 19F NMR spectra. The B—N distance is equivalent to the distances found for 2-methylpyridine and 2-ethylpyridine B(C6F53 adducts. For the final refinement, the contributions of disordered solvent molecules were removed from the diffraction data with SQUEEZE in PLATON [van der Sluis & Spek (1990. Acta Cryst. A46, 194–201; Spek (2009. Acta Cryst. D65, 148–155].

  4. Chemical composition of the essential oil and hexane extract of Salvia chionantha and their antioxidant and anticholinesterase activities.

    Science.gov (United States)

    Tel, Gülsen; Oztürk, Mehmet; Duru, Mehmet Emin; Harmandar, Mansur; Topçu, Gülaçti

    2010-11-01

    The essential oil and methyl ester of hexane extract of Salvia chionantha Boiss. were analysed by GC and GC-MS. Totally, 54 components were detected in the essential oil and all of them were fully determined. Germacrene D (25.03%), β-caryophyllene (8.71%), spathulenol (5.86%) and α-humulene (4.82%) were identified as the major compounds. In the methylated hexane extract, 3-hydroxy hexadecanoic acid (39.39%), 3-hydroxy tetradecanoic acid (12.66%) and palmitic acid (12.02%) were the major fatty acids elucidated. The antioxidant activity of the essential oil and the hexane extract was determined by using four complementary test systems; namely, β-carotene-linoleic acid, DPPH() scavenging, ABTS(+)* scavenging, and CUPRAC assays. In β-carotene-linoleic acid assay, the extract showed 81.2±0.1% lipid peroxidation inhibition at 0.8 mg/mL concentration, while in ABTS(+)* assay the essential oil exhibited 77.4±0.5% inhibition at same concentration. Since, acetylcholinesterase and butyrylcholinesterase enzymes are taking place in pathogenesis of Alzheimer's disease, in vitro anticholinesterase activity of the essential oil and the extract was also studied spectrophotometrically. At 0.5mg/mL concentration, the essential oil showed moderate acetylcholinesterase (56.7±1.9%) and butyrylcholinesterase (41.7±2.9%) inhibitory activity, while the extract was only exhibited activity (63.1±0.8%) against butyrylcholinesterase enzyme. Hence, the essential oil may be useful as a moderate anticholinesterase agent, particularly against acetylcholinesterase. Copyright © 2010 Elsevier Ltd. All rights reserved.

  5. Poly[(μ3-benzene-1,3,5-tricarboxylato-κ3O1:O3:O5(μ2-2-methylimidazolato-κ2N:N′tris(2-methylimidazole-κNdizinc(II

    Directory of Open Access Journals (Sweden)

    Palanikumar Maniam

    2011-06-01

    Full Text Available Hydrothermal reaction involving zinc nitrate hexahydrate, trisodium benzene-1,3,5-tricarboxylate (Na3BTC and 2-methylimidazole (2-MeImH yielded the title compound, [Zn2(C9H3O6(C4H5N2(C4H6N23]. In this mixed-ligand metal-organic compound, Zn2+ ions are coordinated by N atoms from 2-MeImH molecules and (2-MeIm− ions, as well as by O atoms from (BTC3− ions. This results in two different distorted tetrahedra, viz. ZnN3O and ZnN2O2. These tetrahedra are interconnected via (BTC3− ions and N:N′-bridging (2-MeIm− ions, thus forming a layered structure in the bc plane. Hydrogen bonds between the O atoms of carboxylate ions and NH groups of 2-MeImH ligands link the layers into a three-dimensional structure.

  6. Synthesis and characterization of a pentadentate Schiff base N3O2 ligand and its neutral technetium(V) complex. X-ray structure of (N,N'-3-azapentane-1,5-diylbis(3-(1-iminoethyl)-6-methyl-2H-pyran-2,4(3H)-dionato)(3-)-O,O',N,N',N double-prime)oxotechnetium(V)

    International Nuclear Information System (INIS)

    Shuang Liu; Rettig, S.J.; Orvig, C.

    1991-01-01

    Preparations of a potentially pentadentate ligand, N,N'-3-azapentane-1,5-diylbis(3-(1-iminoethyl)-6-methyl-2H-pyran-2,4-(3H)-dione) (H 3 apa), and its neutral technetium(V) complex, [TcO(apa)], are described. The 13 C and 1 H NMR, infrared, optical, and mass spectra of the pentadentate ligand and its technetium(V) complex are reported. The X-ray structure of [TcO(apa)] has been determined. Crystals are orthorhombic, space group Pbca, with a = 12.833 (2) angstrom, b = 33.320 (5) angstrom, c = 9.942(4) angstrom, V = 4251 (2) angstrom, and Z = 8. The structure was solved by Patterson and Fourier methods and was refined by full-matrix least-squares procedures to R = 0.028 and R W = 0.032 for 4054 reflections with I ≥ 3σ(I). The technetium(V) complex has a highly distorted octahedral coordination geometry comprising a [TcO] 3+ core and the triply deprotonated pentadentate ligand wrapping around the metal center. One of the two oxygen donor atoms of the pentadentate ligand is located trans to the Tc double-bond O bond while the remaining four donor atoms, N 3 O, occupy the equatorial sites. The distance between the deprotonated N(1) atom to the Tc center is significantly shorter than a normal Tc-N single bond length of 2.10 angstroms, but longer than that for a Tc-N triple bond. 1 H NMR spectral data reveal a rigid solution structure for the complex, which undergoes no conformational and configurational exchange at temperatures up to 50C

  7. Synthesis of (+-)-[1,1'-15N2, 2'-13C]-trans-3'-methylnicotine

    International Nuclear Information System (INIS)

    Sirimanne, S.R.; Maggio, V.L.; Patterson, D.G. Jr.

    1992-01-01

    The synthesis of (±)- [1,1'- 15 N 2 , 2'- 13 C]-trans-3'-methylnicotine is reported. 15 N-3-Bromopyridine obtained from bromination of pyridine was formylated with nBuLi/[carbonyl- 13 C]-methyl formate. The resulting 15 n-Pyridine-3-[ 13 C-carbonyl]-carboxaldehyde was reacted with 15 N-methylamine and then the resulting Schiff's base was condensed with succinic anhydride to give (±)- [1,1'- 15 N 2 , 5'- 13 C]-trans-4'-carboxycotinine. Reduction with lithium aluminum hydride and mesylation followed by reduction with Zn/NaI gave (±)-[1,1'- 15 N 2 , 2'- 13 C]-trans-3'-methylnicotine. (Author)

  8. Chemical Composition of Hexane Extract of Different Parts of Anthemis talyschensis and its Potential to Use in Sunscreen Products

    Directory of Open Access Journals (Sweden)

    Alireza Motavalizadehkakhky

    2016-06-01

    Full Text Available In this study, both the presence and concentration of some unsaturated compounds in hexane extracts of different parts of Anthemis talyschensis showing absorption at wavelength 280-450 nm were surveyed, with the view of possibly using extracts of this plant in new formulations of sunscreen creams. The hexane extracts of flower, leaf and stem of A. talyschensis, collected from Northwest Iran, were obtained using a Soxhlet apparatus. The fatty acids were derivatized to methyl esters and were determined by gas chromatography/flame ionization detector (GC/FID and gas chromatography/mass spectrometry (GC/MS systems. The chemical analysis resulted in identification of 14, 9 and 29 constituents, comprising about 99.5, 97.1 and 98.2% of the total constituents in hexane extracts of flower, leaf and stem, respectively. The main unsaturated constituents in the hexane extract of A. talyschensis flower were 9, 12-octadecadienoic acid, 9-octadecenoic acid and 6, 9, 12-octadecatrienoic acid; while the leaf's extract contained 9, 12-octadecadienoic acid and 9-octadecenoic acid; no unsaturated compounds were detected in the stem. The ratios of unsaturated fatty acid /saturated fatty acid were 13.6, 9.3 and 0 in extracts of the flower, leaf and stem, respectively, but the total amounts in the leaf were much greater. It can be concluded the leaf extract is more likely to be suitable for producing sunscreens creams than others.

  9. Crystal structure of bis[2,5-bis(pyridin-2-yl-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κScopper(II

    Directory of Open Access Journals (Sweden)

    Abdelhakim Laachir

    2016-08-01

    Full Text Available The mononuclear title complex, [Cu(SCN2(C12H8N4S2], was obtained by the reaction of 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole and potassium thiocyanate with copper(II chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by the S atoms of two thiocyanate anions. The thiadiazole and the pyridyl rings linked to the metal are approximately coplanar, with a maximum deviation from the mean plane of 0.190 (2 Å. The cohesion of the crystal structure is ensured by weak C—H...N hydrogen bonds and π–π interactions between parallel pyridyl rings of neighbouring molecules [centroid-to-centroid distance = 3.663 (2 Å], leading to a three-dimensional network.

  10. Co-extraction of lactic acid by tri-n-octylamine and tri-n-butyl phosphate; Tori-n-okuchiruamin to tori-n-rinsanbuchiru niyoru nyusan no kyodochushutsu

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, Michiaki; Yuba, Seiji; Kondo, Kazui

    1999-01-05

    Co-extraction of lactic acid was examined as a fundamental research for establishing in situ extraction fermentation process of lactic acid (HA). Addition of tri-n-butyl phosphate (TBP) into an extraction system of lactic acid by tri-n-octylamine (TOA) using hexane as the dilutor brought about a great cooperative effect. The extracting reaction in this system is analyzed by taking into consideration the formation of HA-TOA-2TBP. Further, when a TBP and TOA-containing hexane solution was added into a culture system of a lactic acid bacteria Lactobacillus rhamnosus, latic acid of 65% in a system without addition of an organic solvent was produced. (translated by NEDO)

  11. Synthesis of [1,3 - 15 N2] uracil

    International Nuclear Information System (INIS)

    Chiriac, M.; Axente, D.

    2001-01-01

    The synthesis of 15 N labelled uracil, using CO( 15 NH 2 ) 2 as starting material, is presented. The experimental procedure is an adaptation of the synthesis methods for the corresponding unlabelled compounds. Urea- 15 N 2 used as starting material was obtained from H 15 NO 3 (99 at.% 15 N) produced at National Institute for Research and Development of Isotopic and Molecular Technologies, Cluj-Napoca.The uracil structure was determined using the mass spectrometry method and the isotopic labelling was determined by the same method on the molecular compound. The synthesis scheme of (1,3- 15 N 2 ) uracil is presented. (authors)

  12. 4,6-Dibromo-N-{3-[(4,6-dibromo-2,3-dimethylphenylimino]butan-2-ylidene}-2,3-dimethylaniline

    Directory of Open Access Journals (Sweden)

    Lina Huang

    2013-10-01

    Full Text Available The title compound, C20H20Br4N2, is a product of the condensation reaction of 4,6-dibromo-2,3-dimethylaniline and butane-2,3-dione. The molecule has a center of symmetry at the mid-point of the central C—C bond. The dihedral angle between the benzene ring and the 1,4-diazabutadiene plane is 78.3 (2°. Niether hydrogen bonding nor aromatic stacking is observed in the crystal structure.

  13. Physical properties of (propyl propanoate + hexane + toluene) at 298.15 K

    International Nuclear Information System (INIS)

    Freire, S.; Segade, L.; Cabeza, O.; Jimenez, E.

    2007-01-01

    The aim of this paper is to report experimental densities, excess molar enthalpies and refractive indexes of the ternary system (propyl propanoate + hexane + toluene) and of the corresponding binary mixtures (propyl propanoate + toluene) and (hexane + toluene) at the temperature 298.15 K and atmospheric pressure, over the whole composition range. Also, the excess molar volumes and the changes in the refractive index on mixing have been calculated from the measured data for all mixtures

  14. 3β-Acetoxy-lup-20(29-en-28-yl 1H-1,2,4-triazole-1-carboxylate

    Directory of Open Access Journals (Sweden)

    R.C. Santos

    2010-11-01

    Full Text Available The title triterpene, C35H53N3O4, is a C-28 carbamate derivative of 3β-acetoxybetulin prepared in a one-step reaction from the commercially available 1,1′-carbonyl-di(1,2,4-triazole (CDT, crystallized from acetone/n-hexane. All rings are trans fused. The carbamate and acetate substituents are in axial and equatorial positions, respectively. A quantum chemical ab initio Roothaan Hartree–Fock calculation of the equilibrium geometry of the isolated molecule gives values for bond lengths and valency angles in close agreement with experimental values. The calculation also reproduces the observed molecular conformation, with puckering parameters that agree well with those determined from the crystallographic study.

  15. Crystal structure of bis(azido-κNbis[2,5-bis(pyridin-2-yl-1,3,4-thiadiazole-κ2N2,N3]nickel(II

    Directory of Open Access Journals (Sweden)

    Abdelhakim Laachir

    2015-02-01

    Full Text Available Reaction of 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole and sodium azide with nickel(II triflate yielded the mononuclear title complex, [Ni(N32(C12H8N4S2]. The NiII ion is located on a centre of symmetry and is octahedrally coordinated by four N atoms of the two bidentate heterocyclic ligands in the equatorial plane. The axial positions are occupied by the N atoms of two almost linear azide ions [N—N—N = 178.8 (2°]. The thiadiazole and pyridine rings of the heterocyclic ligand are almost coplanar, with a maximum deviation from the mean plane of 0.0802 (9 Å. The cohesion of the crystal structure is ensured by π–π interactions between parallel pyridine rings of neighbouring molecules [centroid-to-centroid distance = 3.6413 (14 Å], leading to a layered arrangement of the molecules parallel to (001.

  16. Nqrs Data for C3H2Cl10N2PSb[C3HCl4N2P·Cl6HSb](Subst. No. 0601)

    Science.gov (United States)

    Chihara, H.; Nakamura, N.

    This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C3H2Cl10N2PSb [C3HCl4N2P·Cl6HSb] (Subst. No. 0601)

  17. Chemoselective biohydrogenation of chalcone (2Ε)-3-(1,3-benzodioxole-5-yl)-1-phenyl-2-propen-1-one mediated by baker yeasts immobilized in polymeric supports

    International Nuclear Information System (INIS)

    Mundstock, Flavia L.S.; Silva, Vanessa D.; Nascimento, Maria da G.

    2009-01-01

    In this study, the yeast Saccharomyces cerevisiae, baker's yeast (BY) was immobilized in poly(ethylene oxide) (PEO), poly(vinyl alcohol) (PVA), sodium caseinate (SC), gelatin (G) films and in agar (A) and gelatin (G) gels, and used as a biocatalyst in the biohydrogenation reaction of (2Ε)-3-(1,3-benzodioxyl-5-yl)-1-phenyl-2-propen-1-one (1). The transformation of (1) into the corresponding dehydro chalcone (2) through biohydrogenation reactions was carried out in n-hexane at 25 or 35 deg C, for 4-48 h reaction. The product conversion, under different experimental conditions, was evaluated by hydrogen nuclear magnetic resonance, 1 H NMR.The highest conversion degrees were achieved using BY immobilized in agar gel, (29-47%), depending also on the temperature. Using BY immobilized in PEO, PVA, SC and G films, the conversion into (2) was lower (0-21%). The results show the feasibility of the use of BY immobilized in polymeric materials to reduce a,b-unsaturated carbonyl compounds. (author)

  18. Dietary exposure to cadmium, lead and nickel among students from south-east Poland.

    Science.gov (United States)

    Marzec, Zbigniew; Koch, Wojciech; Marzec, Agnieszka; Żukiewicz-Sobczak, Wioletta

    2014-01-01

    The dietary intake of cadmium, lead and nickel was determined among students from three universities in the city of Lublin in south-east Poland to assess the levels of exposure to these contaminants, compared to PTWI and TDI values. The study was performed in 2006–2010 and involved 850 daily food rations of students. The technique of 24-hour dietary recall and diet duplicates was used. Cadmium, lead and nickel complexes with ammonium-pyrrolidindithiocarbamate were formed and extracted to the organic phase with 4-methylpentan-2-one–MIBK, in which their content was measured by flame atomic absorption spectrometry. The highest intake of the elements studied was observed in 2008. The data show that in none of the cases, the level of intake reached 70% of PTWI/TDI values, and thus the risk of developing diseases related to high exposure to these toxic metals absorbed from foodstuffs was low. The parameters of methods were checked during determinations by adding standard solutions to the samples before mineralization and by using two reference materials: Total diet ARC/CL HDP and Bovine muscle RM NIST 8414. The dietary exposure to lead and cadmium has significantly decreased in recent years, whereas the exposures to nickel remains on a stable level.

  19. Dietary exposure to cadmium, lead and nickel among students from the south-east region of Poland

    Directory of Open Access Journals (Sweden)

    Zbigniew Marzec

    2014-11-01

    Full Text Available Dietary intake of cadmium, lead and nickel was determined among students from three universities in Lublin to assess the levels of exposure to these contaminants compared to PTWI and TDI values. The study was performed in 2006–2010 and involved 850 daily food rations of students from the south–east region of Poland. The technique of 24-hour dietary recall and diet duplicates was used. Cadmium, lead and nickel complexes with ammonium-pyrrolidindithiocarbamate were formed and extracted to the organic phase with 4-methylpentan-2-one – MIBK in which their content was measured by flame atomic absorption spectrometry. The highest intake of the elements studied was observed in 2008. The data show that in none of the cases, the level of intake reached 70 % of PTWI/TDI values and thus the risk of developing diseases related to high exposure to these toxic metals absorbed from foodstuffs was low. The parameters of methods were checked during determinations by adding standard solutions to the samples before mineralization and by using two reference materials: Total diet ARC/CL HDP and Bovine muscle RM NIST 8414. The dietary exposure to lead and cadmium has significantly decreased in recent years whereas the exposures to nickel remain on stable levels.

  20. Comparative pathology of pigs infected with Korean H1N1, H1N2, or H3N2 swine influenza A viruses

    OpenAIRE

    Lyoo, Kwang-Soo; Kim, Jeong-Ki; Jung, Kwonil; Kang, Bo-Kyu; Song, Daesub

    2014-01-01

    Background The predominant subtypes of swine influenza A virus (SIV) in Korea swine population are H1N1, H1N2, and H3N2. The viruses are genetically close to the classical U.S. H1N1 and triple-reassortant H1N2 and H3N2 viruses, respectively. Comparative pathogenesis caused by Korean H1N1, H1N2, and H3N2 SIV was evaluated in this study. Findings The H3N2 infected pigs had severe scores of gross and histopathological lesions at post-inoculation days (PID) 2, and this then progressively decrease...

  1. [Pr2(pdc3(Hpdc(H2O4]n·n(H3hp·8n(H2O, a One-Dimensional Coordination Polymer Containing PrO6N3 Tri-Capped Trigonal Prisms and PrO8N Mono-Capped Square Anti-Prisms (H2pdc = Pyridine 2,6-Dicarboxylic Acid, C7H5NO4; 3hp = 3-Hydroxy Pyridine, C5H5NO

    Directory of Open Access Journals (Sweden)

    Shahzad Sharif

    2012-08-01

    Full Text Available The synthesis, structure and some properties of the one-dimensional coordination polymer, [Pr2(pdc3(Hpdc]n·n(H3hp·8n(H2O, (H2pdc = pyridine 2,6-dicarboxylic acid, C7H5NO4; 3hp = 3-hydroxypyridine, C5H5NO are described. One of the Pr3+ ions is coordinated by two O,N,O-tridentate pdc2− ligands and one tridentate Hpdc− anion to generate a fairly regular PrO6N3 tri-capped trigonal prism, with the N atoms acting as the caps. The second Pr3+ ion is coordinated by one tridentate pdc2− dianion, four water molecules and two monodentate bridging pdc2− ligands to result in a PrO8N coordination polyhedron that approximates to a mono-capped square-anti-prism. The ligands bridge the metal-atom nodes into a chain, which extends in the [100] direction. The H3hp+ cation and uncoordinated water molecules occupy the inter-chain regions and an N–HLO and numerous O–HLO hydrogen bonds consolidate the structure. The H3hp+ species appears to intercalate between pendant pdc rings to consolidate the polymeric structure. Crystal data: 1 (C33H43N5O29Pr2, Mr = 1255.54, triclinic,  (No. 2, Z = 2, a = 13.2567(1 Å, b = 13.6304(2 Å, c = 13.6409(2 Å, α = 89.695(1°, β = 63.049(1°, γ = 86.105(1°, V = 2191.16(5 Å3, R(F = 0.033, wR(F2 = 0.084.

  2. N-(2-Methylphenyl-1,2-benzoselenazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Xu Zhu

    2013-10-01

    Full Text Available In the title Ebselen [systematic name: (2-phenyl-1,2-benzoisoselenazol-3-(2H-one] analogue, C14H11NOSe, the benzisoselenazolyl moiety (r.m.s. deviation = 0.0209 Å is nearly perpendicular to the N-arenyl ring, making a dihedral angle of 78.15 (11°. In the crystal, molecules are linked by C—H...O and Se...O interactions into chains along the c-axis direction. The Se...O distance [2.733 (3 Å] is longer than that in Ebselen (2.571 (3 Å].

  3. Micellar induced regioselectivity in the two-step consecutive reaction of SO3(2-) with Br-(CH2CH2)n-Br (n=2-5).

    Science.gov (United States)

    Currie, Fredrik; Jarvoll, Patrik; Holmberg, Krister; Romsted, Laurence S; Gunaseelan, Krishnan

    2007-08-15

    High field (800 MHz) (1)H NMR was used to monitor the two-step consecutive reaction of excess SO(3)(2-) with symmetrical bifunctional alpha,omega-dibromoalkanes with butane (DBB), hexane (DBH), octane (DBO), and decane (DBD) chains in CTAB micelles at 25 degrees C. The first-order rate constant for the first substitution step for DBB and DBH is about 5 times faster than for the second, but the kinetics for DBO and DBD were not cleanly first-order. After 40 min, the solution contained about 80% of the intermediate bromoalkanesulfonate from DBB and DBH and the remainder is alkanedisulfonate and unreacted starting material. The same reactions were carried out in homogeneous MeOH/D(2)O solutions at 50 degrees C. The rate constants for all four alpha,omega-dibromoalkanes were first-order throughout the time course of the reaction and the same within +/-10%. However, because micellar solutions are organized on the nanoscale and bring together lipophilic and hydrophilic reactants into a small reaction volume at the micellar interface, they speed this substitution reaction considerably compared to reaction in MeOH/D(2)O. The CTAB micelles also induce a significant regioselectivity in product formation by speeding the first step of the consecutive reaction more than the second. The results are consistent with the bromoalkanesulfonate intermediates having a radial orientation within the micelles with the -CH(2)SO(3)(-) group in the interfacial region and the -CH(2)Br group directed into the micellar core such that the concentration of -CH(2)Br groups in the reactive zone, i.e., the micellar interface, is significantly reduced. These results provide the first example of self-assembled surfactant system altering the relative rates of the reaction steps of a consecutive reaction and, in doing so, enhancing monosubstitution of a symmetrically disubstituted species.

  4. N-methyl-3-pyrrolidines preparation by means of [3+2] dipoles cycloaddition reactions; Preparacion de N-metil-3-arilpirrolidinas mediante reacciones de cicloadicion dipolares [3+2

    Energy Technology Data Exchange (ETDEWEB)

    Negron, Guillermo [Universidad Autonoma Metropolitana-Azcapotzalco, Mexico, D.F. (Mexico); Fuentes, Aydee; Romero, Moises [Universidad Autonoma del Estado de Mexico, Toluca, Estado de Mexico (Mexico); Madrid, Gustavo; Cruz, Raymundo [Universidad Nacional Autonoma de Mexico, Mexico, D.F. (Mexico)

    1999-08-01

    The [3+2] cycloaddition reaction between azomethine ylide generated by deprotonation of trimethylamine N-oxide with LDA and various {alpha}-asarone derivatives to afford the corresponding pyrrolidines is described. [Spanish] Las reacciones de cicloadicion [3+2] entre iluros de azometino generados por accion del LDA sobre el N-oxido de trimetilamina y varios derivados de la {alpha}-asarona, permite la obtencion de las pirrolidinas correspondientes.

  5. (μ-3-Acetyl-5-carboxylato-4-methylpyrazolido-1:2κ4N2,O3:N1,O5-μ-chlorido-tetrapyridine-1κ2N,2κ2N-chlorido-1κCl-dicopper(II propan-2-ol solvate

    Directory of Open Access Journals (Sweden)

    Sergey Malinkin

    2009-10-01

    Full Text Available The title compound, [Cu2(C7H6N2O3Cl2(C5H5N4]·C3H8O, is a binuclear pyrazolate complex, in which the two CuII atoms have different coordination numbers and are connected by a bridging Cl atom. One CuII atom has a distorted square-pyramidal coordination environment formed by two pyridine N atoms, one bridging Cl atom and an N,O-chelating pyrazolate ligand. The other CuII atom adopts an octahedral geometry defined by two pyridine N atoms at the axial positions, two Cl atoms and the coordinated pyrazolate ligand in the equatorial plane. An O—H...O hydrogen bond connects the complex molecules and propan-2-ol solvent molecules into pairs. These pairs form columns along the a axis.

  6. Diaqua[N,N′-bis(2-pyridylmethylenepropane-1,3-diamine]manganese(II dibromide–aquabromido[N,N′-bis(2-pyridylmethylenepropane-1,3-diamine]manganese(II bromide–dibromido[N,N′-bis(2-pyridylmethylenepropane-1,3-diamine]manganese(II (1/2/1

    Directory of Open Access Journals (Sweden)

    In-Chul Hwang

    2009-01-01

    Full Text Available There are three different MnII complexes in the asymmetric unit of the title compound, [Mn(C15H16N4(H2O2]Br2·2{[MnBr(C15H16N4(H2O]Br}·[MnBr2(C15H16N4]. In the neutral complex, the Mn2+ ion is six-coordinated in a distorted octahedral environment by four N atoms of the tetradentate ligand N,N′-bis(2-pyridylmethylenepropane-1,3-diamine (bppd and two bromide ligands. In the two cationic complexes, the Mn2+ ions are also six-coordinated in similar environments, but one Mn ion is coordinated by four N atoms of bppd, one Br atom and one O atom of a coordinating water molecule, whereas the other Mn ion is coordinated by four N atoms of bppd and two O atoms of water ligands. The complexes with two coordinated Br atoms or two H2O ligands are disposed about a twofold axis through Mn and C atoms with the special positions ({script{1over 2}}, y, 0 and (0, y, {script{1over 2}}, respectively. The compound displays intermolecular O—H...Br hydrogen bonding. There are intermolecular π–π interactions between adjacent pyridine rings, with centroid–centroid distances of 3.822 and 3.833 Å, and a C—H...O interaction is also present.

  7. Nanosized catalysts based on Fe oxide for combustion of n-hexane

    International Nuclear Information System (INIS)

    Picasso, Gino; Hermoza, Emilia; Lopez, Alcides; Gomez, Gemma; Pina, Maria Pilar; Herguido, Javier

    2009-01-01

    In this work, nanosized catalysts on Fe oxide have been prepared for total combustion on n-hexane (2000 ppmV). The synthesis of Fe oxide have been performed following sol-gel procedure starting from precursors based on nitrate salts. According to XRD analysis, nanoparticles formed α-hematite and the average particle size estimated by TEM was 9 nm with formation of agglomerations of 140 nm. Moreover, different clays pillared with Al (Al-PILC), Ti (Ti-PILC) and Fe (Fe-PILC) have been synthesized. Some samples based on Fe-Mn equimolar mixed supported on Al-PILC (FeMn/Al-PILC) and on Ti-PILC (FeMn/Ti-PILC) have been prepared in order to study the cooperative effect of Mn. Experimental conditions of calcination were adjusted in order to obtain samples with high thermal stability. XRD analysis of pillared samples revealed the formation of stable pillars, except for Fe-PILC which described a delaminated structure. As a consequence of pillaring, an enhancement of total surface area compared to starting clay material is observed. Concerning surface area, the decreasing order series of pillared material was: Ti-PILC > Fe-PILC > Al-PILC. Depression of total surface area decreasing of basal spacing d 001 with no modification of basal structure of starting natural clay have been observed due to the incorporation of Fe-Mn active phase into the structures of Ti-PILC and Al-PILC. The Fe-Mn mixed phase supported over pillared material exhibited higher catalytic activity than the Fe-PILC sample, which was attributed to the cooperative effect of Mn. This effect could be associated with redox properties of Mn and improving of surface oxygen mobility. Delaminated structure and strong interaction of Fe with clay porous network into the Fe-PILC sample could be the reason of lower activities. However, higher performances were observed in the case of Fe oxide nanoparticles prepared with surfactant agent over bentonite, due to a lesser extent of Fe-porous structure interaction presented in

  8. 3-Diazo-N-[(2S-1-hydroxypropan-2-yl]-2-oxopropanamide

    Directory of Open Access Journals (Sweden)

    Xiao-na Chen

    2011-05-01

    Full Text Available In the title compound, C6H9N3O3, the 3-diazo-2-oxopropanamide section of the molecule is nearly planar, with a maximum deviation of 0.025 (1 Å from the mean plane of its constituent atoms. The diazo C=N=N angle is 178.0 (3°. In the crystal, pairs of intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into infinite double chains along the [100] direction. The double chains are additionally stabilized by weak C—H...O contacts with C...O distances of 3.039 (3 Å. Neighboring double chains in turn interact with each other through π–π stacking interactions [centroid–centroid distance of the 3-diazo-2-oxopropanamide units = 3.66 (6 Å] to form infinite stacks along the b axis. Molecules from neighboring stacks interdigitate with each other in the c-axis direction, thus leading to an interwoven three-dimensional network held together by O—H...O, N—H...O and C—H...O interactions and π–π stacking.

  9. Comparative pathology of pigs infected with Korean H1N1, H1N2, or H3N2 swine influenza A viruses.

    Science.gov (United States)

    Lyoo, Kwang-Soo; Kim, Jeong-Ki; Jung, Kwonil; Kang, Bo-Kyu; Song, Daesub

    2014-09-24

    The predominant subtypes of swine influenza A virus (SIV) in Korea swine population are H1N1, H1N2, and H3N2. The viruses are genetically close to the classical U.S. H1N1 and triple-reassortant H1N2 and H3N2 viruses, respectively. Comparative pathogenesis caused by Korean H1N1, H1N2, and H3N2 SIV was evaluated in this study. The H3N2 infected pigs had severe scores of gross and histopathological lesions at post-inoculation days (PID) 2, and this then progressively decreased. Both the H1N1 and H1N2 infected pigs lacked gross lesions at PID 2, but they showed moderate to severe pneumonia on PID 4, 7 and 14. The pigs infected with H1N1 had significant scores of gross and histopathological lesions when compared with the other pigs infected with H1N2, H3N2, and mock at PID 14. Mean SIV antigen-positive scores were rarely detected for pigs infected with H1N2 and H3N2 from PID 7, whereas a significantly increased amount of viral antigens were found in the bronchioles and alveolar epithelium of the H1N1infected pigs at PID 14. We demonstrated that Korean SIV subtypes had different pulmonary pathologic patterns. The Korean H3N2 rapidly induced acute lung lesions such as broncho-interstitial pneumonia, while the Korean H1N1 showed longer course of infection as compared to other strains.

  10. {2-[(3,5-Dichloro-2-oxidobenzylideneamino-κ2N,O]-3-methylpentanoato-κO}(N,N′-dimethylformamide-κOcopper(II

    Directory of Open Access Journals (Sweden)

    Xiao Zhen Feng

    2008-05-01

    Full Text Available In the title compound, [Cu(C13H13Cl2NO3(C3H7NO], the CuII atom is coordinated in a slightly distorted square-planar geometry by two O atoms and one N atom from the tridentate chiral ligand 2-[(3,5-dichloro-2-oxidobenzylideneamino]-3-methylpentanoate and by one O atom from dimethylformamide. In the crystal structure, the Cu atom forms contacts with Cl and O atoms of two units (Cu...Cl and Cu...O = 3.401 and 2.947 Å, respectively, thereby forming an approximately octahedral arrangement. A three-dimensional network is constructed through Cl...Cu, O...Cu, Cl...Cl contacts and C—H...O hydrogen bonds.

  11. Electroreduction mechanism of N-phenylhydroxylamines in aprotic solvents: N-(2-nitrophenyl)- and N-(3-nitrophenyl)hydroxylamines

    International Nuclear Information System (INIS)

    Mendkovich, Andrey S.; Syroeshkin, Mikhail A.; Nasybullina, Darya V.; Mikhailov, Mikhail N.; Gultyai, Vadim P.; Rusakov, Alexander I.

    2017-01-01

    In continuation of our previous studies on N-(4-nitrophenyl)hydroxylamine (1), we investigated the electroreduction of N-(2- (2) and N-(3-nitrophenyl)hydroxylamines (3) in N,N-dimethylformamide/Bu_4NClO_4, using chronoamperometry, cyclic voltammetry, digital simulation and quantum chemical calculations. It was shown that anion radical 3 is rather stable and does not eliminate a hydroxide anion, unlike 2 whose electroreduction mechanism is similar to that previously observed for 1. At the same time, the elimination reaction is observed for dianion of 3 formed at potentials of the first electron transfer by disproportionation of anion radicals. Results of quantum-chemical calculations show that the high stability of anion radical 3 results from the absence of unpaired electron density on its hydroxylamine group.

  12. Crystal structure of bis(azido-κNbis[2,5-bis(pyridin-2-yl-1,3,4-thiadiazole-κ2N2,N3]cobalt(II

    Directory of Open Access Journals (Sweden)

    Abdelhakim Laachir

    2015-05-01

    Full Text Available In the mononuclear title complex, [Co(N32(C12H8N4S2], the cobalt(II atom is located on an inversion centre and displays an axially weakly compressed octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thiadiazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.0273 (16 Å. The cohesion of the crystal is ensured by weak C—H...N hydrogen bonds and by π–π interactions between pyridine rings [intercentroid distance = 3.6356 (11 Å], forming a layered arrangement parallel to (001. The structure of the title compound is isotypic with that of the analogous nickel(II complex [Laachir et al. (2013. Acta Cryst. E69, m351–m352].

  13. Chemoselective biohydrogenation of chalcone (2{Epsilon})-3-(1,3-benzodioxole-5-yl)-1-phenyl-2-propen-1-one mediated by baker yeasts immobilized in polymeric supports; Bioidrogenacao quimioseletiva da chalcona (2{Epsilon})-3-(1,3-benzodioxol-5-il)-1-fenil-2-propen-1-ona mediada por fermentos de pao imobilizado em suportes polimericos

    Energy Technology Data Exchange (ETDEWEB)

    Mundstock, Flavia L.S.; Silva, Vanessa D.; Nascimento, Maria da G., E-mail: mundstock@qmc.ufsc.b [Universidade Federal de Santa Catarina (DQ/UFSC), Florianopolis, SC (Brazil). Dept. de Quimica

    2009-07-01

    In this study, the yeast Saccharomyces cerevisiae, baker's yeast (BY) was immobilized in poly(ethylene oxide) (PEO), poly(vinyl alcohol) (PVA), sodium caseinate (SC), gelatin (G) films and in agar (A) and gelatin (G) gels, and used as a biocatalyst in the biohydrogenation reaction of (2{Epsilon})-3-(1,3-benzodioxyl-5-yl)-1-phenyl-2-propen-1-one (1). The transformation of (1) into the corresponding dehydro chalcone (2) through biohydrogenation reactions was carried out in n-hexane at 25 or 35 deg C, for 4-48 h reaction. The product conversion, under different experimental conditions, was evaluated by hydrogen nuclear magnetic resonance, {sup 1}H NMR.The highest conversion degrees were achieved using BY immobilized in agar gel, (29-47%), depending also on the temperature. Using BY immobilized in PEO, PVA, SC and G films, the conversion into (2) was lower (0-21%). The results show the feasibility of the use of BY immobilized in polymeric materials to reduce a,b-unsaturated carbonyl compounds. (author)

  14. Preparation and luminescence properties of Ce3+ and Ce3+/Tb(3+)-activated Y4Si2O7N2 phosphors.

    Science.gov (United States)

    Xia, Zhiguo; Wu, Weiwei

    2013-09-28

    Ce(3+) and Ce(3+)/Tb(3+)-activated Y4Si2O7N2 phosphors are synthesized by the solid-state method, which can be efficiently excited by near ultraviolet (UV) light emitting diode (LED) chips. The PL spectrum of Y4Si2O7N2:Ce(3+) shows a broad hump between 380 and 650 nm, assigned to the electron transition from the 4f energy level to different 5d sub levels of the Ce(3+) ions at different Y(3+) sites. The color of the Y4Si2O7N2:Ce(3+) phosphor can shift from blue to green by introducing Tb(3+). In addition, the energy transfer process from Ce(3+) to Tb(3+) in the Y4Si2O7N2 host was investigated and discussed in terms of both the luminescence spectra and decay curves. The energy transfer critical distance has been calculated and evaluated by the concentration quenching method. Therefore, the Ce(3+) and Ce(3+)/Tb(3+)-activated Y4Si2O7N2 phosphors can serve as key materials for phosphor-converted white-light UV-LEDs.

  15. Crystal and Molecular Structure of 2-Aminoacetophenone-N(3)-dimethylthiosemicarbazone

    OpenAIRE

    Nassar, Amal A.; Hernández-Ortega, Simón; Valdés-Martínez, Jesús; West, Douglas X.

    2002-01-01

    Condensation of N(3)-dimethylthiosemicarbazide with 2-aminoacetophenone in anhydrous ethanol produces 2-aminoacetophenone-N(3)-dimethylthiosemicarbazone, 1, which is planar with the S1 and N1 atoms in a syn conformation. The amino group forms a bifurcated intramolecular hydrogen bond with the sulfur and the imine nitrogen, and an intermolecular hydrogen bond with the thione sulfur of a second molecule. La condensación de la N(3)-dimetiltiosemicarbazida con la 2-aminoacetofenona en etanol a...

  16. Activity coefficients at infinite dilution of organic solutes in N-alkylpyridinium bis(trifluoromethylsulfonyl)imide ([CnPY][NTf2], n = 2, 4, 5) using gas-liquid chromatography

    International Nuclear Information System (INIS)

    Yan Peifang; Liu Qingshan; Yang Miao; Liu Xiumei; Tan Zhicheng; Welz-Biermann, Urs

    2010-01-01

    The activity coefficients at infinite dilution, γ i ∞ for both polar and non-polar solutes in the ionic liquids N-alkylpyridinium bis(trifluoromethylsulfonyl)imide ([C n PY][NTf 2 ], n = 2, 4, 5) have been determined by gas-liquid chromatography using the ionic liquid as the stationary phase. The measurements were carried out at the temperatures from (303 to 353) K. The partial molar excess enthalpies at infinite dilution H i E,∞ of the solutes in the ionic liquids were also derived from the temperature dependence of the γ i ∞ values. The values of the selectivity for the hexane/benzene and cyclohexane/benzene separation problems were calculated from experimental infinite dilution activity coefficient values and compared to the other ionic liquids, taken from the recent literatures.

  17. Characterization of Nd{sub 2}AlO{sub 3}N and Sm{sub 2}AlO{sub 3}N oxynitrides synthesized by carbothermal reduction and nitridation

    Energy Technology Data Exchange (ETDEWEB)

    Chevire, Francois, E-mail: francois.chevire@univ-rennes1.fr [UMR CNRS 6226 ' Sciences Chimiques de Rennes' , Equipe Verres et Ceramiques, Groupe Materiaux Azotes et Ceramiques, Universite de Rennes 1, 35042 Rennes Cedex (France); Pallu, Arthur; Ray, Erwan; Tessier, Franck [UMR CNRS 6226 ' Sciences Chimiques de Rennes' , Equipe Verres et Ceramiques, Groupe Materiaux Azotes et Ceramiques, Universite de Rennes 1, 35042 Rennes Cedex (France)

    2011-05-12

    Research highlights: > Carbothermal reduction and nitridation leads to rare earth aluminum oxynitride starting from oxide mixture. > Absorption shifts towards visible in Nd{sub 2}AlO{sub 3}N (orange) and Sm{sub 2}AlO{sub 3}N (yellow). > Oxynitrides are stable up to 600 deg. C in air. > The so-called 'intermediate phase' phenomenon is evidenced in Sm{sub 2}AlO{sub 3}N. - Abstract: The Nd{sub 2}AlO{sub 3}N and Sm{sub 2}AlO{sub 3}N oxynitrides with the K{sub 2}NiF{sub 4}-type structure have been prepared from oxide mixture at 1250 deg. C using the carbothermal reduction and nitridation route (CRN). Optimization of the process is discussed to prevent surface oxidation of the oxynitrides during the synthesis. The absorption of Nd{sub 2}AlO{sub 3}N and Sm{sub 2}AlO{sub 3}N, orange and yellow respectively, has been characterized by diffuse reflectance as well as their thermal stability versus oxidation by thermogravimetric analyses.

  18. Magnetism of Bi2Sr2Can-1CunO2n+4+δ (n = 1,2,3)

    International Nuclear Information System (INIS)

    Ishida, T.; Koga, K.; Kanoda, K.; Takahashi, T.

    1992-01-01

    The normal-state dc susceptibility χ dc of the Bi 2 Sr 2 Ca n-1 Cu n O 2n+4+δ (n=1, 2, 3) pellet is of the order of +10 -7 emu/g. A large Curie-Weiss component is found in χ dc and the ESR spin susceptibility χ ESR of the pulverized 2201, 2212 and 2223 samples but it almost disappears by annealing. The relative magnitudes of χ ESR to χ dc for the annealed powders are dissimilar among the three phases: ESR of the 2201 sample is silent, χ ESR of the 2212 phase has almost the same magnitude as χ dc and χ ESR of the 2223 phase is appreciable but smaller than χ dc . (orig.)

  19. Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

    Science.gov (United States)

    Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

    1994-05-01

    Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

  20. Antioxidant and antibacterial activities of acetonitrile and hexane extracts of Lentinus tigrinus and Pleurotus djamour

    Science.gov (United States)

    This paper highlighted the antioxidant and antibacterial activities of Lentinus tigrinus and Pleurotus djamour. Extracts of mushroom fruiting bodies were obtained using hexane and acetonitrile solvents. Acetonitrile extracts of both mushrooms exhibited higher biological activities than hexane extrac...

  1. Physicochemical characterisation of hexanic seed oil extract from ...

    African Journals Online (AJOL)

    The physicochemical characterisation of oil extracts from Schinus molle seeds collected in South Africa was performed. The oils were extracted in hexane, physicochemical parameters determined and lipids profiled by gas chromatography, in order to determine its potential for use in industry, ethnomedicine and its ...

  2. Solvent and electronic effects on kinetics of cyclization of thermolabile aryllithium reagents. A comparison between 1-bromo-2-(2-bromoethylbenzene and 4,5-dimethoxy-1-bromo-2-(2-bromoethylbenzene

    Directory of Open Access Journals (Sweden)

    David A. Hunt

    2009-05-01

    Full Text Available A dramatic solvent effect on the stability and kinetics of intramolecular cyclization is described for the aryllithium species generated from 2-bromo-4,5-dimethoxy-(2-bromoethylbenzene. The aryllithium generated by the halogen-metal exchange reaction with n-butyllithium, is stable for > 1h when generated at -95 to -100 oC in diethyl ether/hexane and can be trapped with electrophiles. However, when the reaction is conducted in a THF/hexane mixture, the intermediate undergoes instantaneous intramolecular cyclization to afford 4,5-dimethoxybenzocyclobutene. By comparison, the corresponding 1-lithio-2-(2-bromoethyl-benzene intermediate is stable for >1h in either THF/hexane or diethyl ether/hexane at -95 to -100 oC. These results indicate that substituent effects as well as the nature of aggregation of these intermediates play key roles in determining the reaction pathway of functionalized aryllithium intermediates when quenched with electrophiles.

  3. Protection level of AI H5N1 vaccine clade 2.1.3 commercial against AI H5N1 clade 2.3.2 virus from Ducks to SPF chicken in laboratory conditions

    Directory of Open Access Journals (Sweden)

    Indriani R

    2015-03-01

    Full Text Available Highly Pathogenic Avian Influenza (HPAI subtype H5N1 clade 2.3.2 has infected chickens in farms, causing mortality and a decrease in egg production. Vaccination is one of the strategies to control disease of AI subtype H5N1. AI H5N1 clade 2.1.3 vaccine is available commercially. The effectiveness of two vaccines of AI H5N1 clade 2.1.3 (product A and B, and AI H5N1 clade 2.3.2 (Sukoharjo against AI H5N1 clade 2.3.2 (Sukoharjo virus SPF chickens was tested in laboratory. Four groups of SPF chickens were used in this study, there were (1 vaccinated with H5N1 clade 2.1.3 (product A, (2 vaccinated with H5N1 clade 2.1.3 (product B, (3 vaccinated with AI H5N1 clade 2.3.2 and (4 unvaccinated (as a control. Each vaccinated group consisted of 10 chicken except 8 chicken for control group. SPF chicken were vaccinated with 1 dose of vaccine at 3 weeks olds, and then after 3 weeks post vaccination (at 6 weeks olds. All group of chicken were challenged with 106 EID50 per 0.1 ml via intranasal. The results showed, chicken vaccinated with H5N1 clade 2.1.3 product A and B gave 100 and 80% protection respectively, but showed challenged virus shedding, whereas vaccine of H5N1 clade 2.3.2 gave 100% protection from mortality and without virus shedding. Vaccines of AI H5N1 clade 2.1.3 product A was better than vaccine product B, and when chicken vaccinated against H5N1 clade 2.3.2, H5N1 clade 2.3.2 vaccine was the best to be used. In order to protect chicken from AI subtype H5N1 clade 2.1.3 and 2.3.2 in the field, a bivalent vaccine of H5N1 clade 2.1.3 and 2.3.2 subtypes should be developed.

  4. Investigation of N2O Production from 266 and 532 nm Laser Flash Photolysis of O3/N2/O2 Mixtures

    Science.gov (United States)

    Estupinan, E. G.; Nicovich, J. M.; Li, J.; Cunnold, D. M.; Wine, P. H.

    2002-01-01

    Tunable diode laser absorption spectroscopy has been employed to measure the amount of N2O produced from laser flash photolysis of O3/N2/O2 mixtures at 266 and 532 nm. In the 532 nm photolysis experiments very little N2O is observed, thus allowing an upper limit yield of 7 x 10(exp -8) to be established for the process O3 + N2 yield N2O + O2, where O3 is nascent O3 that is newly formed via O(3P(sub J)) + O2 recombination (with vibrational excitation near the dissociation energy of O3). The measured upper limit yield is a factor of approx. 600 smaller than a previous literature value and is approximately a factor of 10 below the threshold for atmospheric importance. In the 266 nm photolysis experiments, significant N2O production is observed and the N2O quantum yield is found to increase linearly with pressure over the range 100 - 900 Torr in air bath gas. The source of N2O in the 266 nm photolysis experiments is believed to be the addition reaction O(1D(sub 2)) + N2 + M yields (k(sub sigma)) N2O + M, although reaction of (very short-lived) electronically excited O3 with N2 cannot be ruled out by the available data. Assuming that all observed N2O comes from the O(1D(sub 2)) + N2 + M reaction, the following expression describes the temperature dependence of k(sub sigma) (in its third-order low-pressure limit) that is consistent with the N2O yield data: k(sub sigma) = (2.8 +/- 0.1) x 10(exp -36)(T/300)(sup -(0-88+0.36)) cm(sup 6) molecule(sup -2)/s, where the uncertainties are 2(sigma) and represent precision only. The accuracy of the reported rate coefficients at the 95% confidence level is estimated to be 30 - 40% depending on the temperature. Model calculations suggest that gas phase processes initiated by ozone absorption of a UV photon represent about 1.4% of the currently estimated global source strength of atmospheric N2O. However, these processes could account for a significant fraction of the oxygen mass-independent enrichment observed in atmospheric N2O, and

  5. Antibakteri Fraksi n-Heksana Kulit Hylocereus polyrhizus Terhadap Staphylococcus epidermidis dan Propionibacterium acnes

    Directory of Open Access Journals (Sweden)

    Sri Wardaningsih

    2014-12-01

    Full Text Available Acne can be caused by Propionibacterium acnes and Staphylococcus epidermidis. Using antibiotic for the acne theraphy in a long term period can cause resistance, organ detriment and imunohypersensitivity. Red dragon fruit’s peel (Hylocereus polyrhizus is one of natural materials which can be used for alternative antibacterial. The aim of this study was to determine the antibacterial activity of n-Hexane fraction of red dragon fruit’s peel against S. epidermidis dan P. acnes with the method of disc diffusion Kirby-Bauer. Red dragon fruit’s peel powder was macerated with chloroform and then fractionated with n-Hexane. The result of phytochemical screening showed that red dragon fruit’s peel contained terpenoid and alkaloid. Clindamycin 4µg/disk was used for positive control while DMSO 10% was used for negative control. Data was analyzed using R-Commander program 3.0.3 version. This research showed that n-Hexane fraction of red dragon fruit’s peel had antibacterial activity against P. acnes where the average zone of inhibition obtained from the concentrations of 20; 40; and 80 mg/mL were 9 mm; 10,25 mm; and 10,5 mm, respectively. However, n-Hexane fraction of red dragon fruit’s peel didn’t have antibacterial activity against S. epidermidis.

  6. Synthesis and crystal structure of N-(3-benzylamino-2- cyano-3 ...

    African Journals Online (AJOL)

    Phenylurea groups were introduced into the frame of traditional cyanoacrylate and a series of N-(3-benzylamino-2-cyano-3-methylthioacrylyl)-N'-(substituted phenyl)ureas were synthesized. All compounds are new and their structures were confirmed by 1H NMR, 13C NMR and mass spectral analyses. KEY WORDS: ...

  7. Bis[μ-2,5-bis(pyridin-2-yl-1,3,4-thiadiazole-κ4N2,N3:N4,N5]bis[(nitrato-κOsilver(I] tetrahydrate

    Directory of Open Access Journals (Sweden)

    Abdelhakim Laachir

    2013-06-01

    Full Text Available The self-assembly of an angular 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole ligand (L with silver nitrate (AgNO3 produced a new dinuclear silver(I coordination complex, [Ag2(C12H8N4S2(NO32]·4H2O, which crystallizes with two Ag atoms bridged by two L ligands. The Ag atom is surrounded by four N atoms of L and by one O from the nitrate anion defining a distorted square pyramid. The atoms comprising the dication are nearly coplanar, with an r.m.s. deviation of 0.1997 Å. Molecules are linked by C—H...O and O—H...O hydrogen bonds through nitrate anions and water molecules, forming a two-dimensional porous network. The overall structure involves stacking of Ag complex layers along the b axis. The cohesion in the three-dimensional architecture is ensured by O...Ag interactions.

  8. Phytochemical And Antidiarrhoeal Evaluation Of The Hexane And ...

    African Journals Online (AJOL)

    The hexane and methanol extracts of the leaves were screened for possible antidiarrhoeal activities on mice gastrointestinal tract using two models which include measure of inhibition of castor oil- induced diarrhoea and measure of intestinal transit time. The phytochemical analysis revealed the presence of carbohydrates, ...

  9. Photocatalytic decomposition of N{sub 2}O over TiO{sub 2}/g-C{sub 3}N{sub 4} photocatalysts heterojunction

    Energy Technology Data Exchange (ETDEWEB)

    Kočí, K., E-mail: kamila.koci@vsb.cz [Institute of Environmental technologies, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic); Reli, M.; Troppová, I.; Šihor, M. [Institute of Environmental technologies, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic); Kupková, J. [Nanotechnology center, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic); Kustrowski, P. [Faculty of Chemistry, Jagiellonian University in Kraków, ul. Ingardena 3, 30-060 Kraków (Poland); Praus, P. [Institute of Environmental technologies, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic); Department of Chemistry, VŠB Technical University of Ostrava 17. listopadu 15/2172, 708 00 Ostrava (Czech Republic)

    2017-02-28

    Highlights: • TiO{sub 2}/g-C{sub 3}N{sub 4} photocatalysts with the various TiO{sub 2}/g-C{sub 3}N{sub 4} weight ratios. • N{sub 2}O photocatalytic decomposition under UVC and UVA irradiation. • Heterojunction on the TiO{sub 2}/g-C{sub 3}N{sub 4} interface play an important role. • Optimal ratio of TiO{sub 2}:g-C{sub 3}N{sub 4} was 1:2 for the highest activity at UVA irradiation. - Abstract: TiO{sub 2}/g-C{sub 3}N{sub 4} photocatalysts with the various TiO{sub 2}/g-C{sub 3}N{sub 4} weight ratios from 1:2 to 1:6 were fabricated by mechanical mixing in water suspension followed by calcination. Pure TiO{sub 2} was prepared by thermal hydrolysis and pure g-C{sub 3}N{sub 4} was prepared from commercial melamine by thermal annealing at 620 °C. All the nanocomposites were characterized by X-ray powder diffraction, UV–vis diffuse reflectance spectroscopy, Raman spectroscopy, infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, photoelectrochemical measurements and nitrogen physisorption. The prepared mixtures along with pure TiO{sub 2} and g-C{sub 3}N{sub 4} were tested for the photocatalytic decomposition of nitrous oxide under UVC (λ = 254 nm), UVA (λ = 365 nm) and Vis (λ > 400 nm) irradiation. The TiO{sub 2}/g-C{sub 3}N{sub 4} nanocomposites showed moderate improvement compared to pure g-C{sub 3}N{sub 4} but pure TiO{sub 2} proved to be a better photocatalyst under UVC irradiation. However, under UVA irradiation conditions, the photocatalytic activity of TiO{sub 2}/g-C{sub 3}N{sub 4} (1:2) nanocomposite exhibited an increase compared to pure TiO{sub 2}. Nevertheless, further increase of g-C{sub 3}N{sub 4} amount leads/led to a decrease in reactivity. These results are suggesting the nanocomposite with the optimal weight ratio of TiO{sub 2} and g-C{sub 3}N{sub 4} have shifted absorption edge energy towards longer wavelengths and decreased the recombination rate of charge carriers compared to pure g-C{sub 3}N{sub 4}. This is

  10. Luminescence of a new class of UV-blue-emitting phosphors MSi2O2-deltaN2+2/3delta:Ce3+ (M = Ca, Sr, Ba)

    NARCIS (Netherlands)

    Li, Y.Q.; With, de G.; Hintzen, H.T.J.M.

    2005-01-01

    The luminescence properties of Ce3+,Na+-codoped MSi2O22dN2+2/3d (M 5 Ca, Sr, Ba) are reported. The undoped and Ce3+,Na+-codoped MSi2O22dN2+2/3d powders were prepared by a solid-state reaction at temperatures between 1300–1400 uC under N2–H2 (10%) atmosphere in the system MO–SiO2–Si3N4 (M 5 Ca, Sr,

  11. N,N,N′,N′,N′′,N′′-Hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide

    Directory of Open Access Journals (Sweden)

    Ioannis Tiritiris

    2016-03-01

    Full Text Available The asymmetric unit of the title salt, C7H18N3+·C7HN4−, comprises one cation and one anion. The N,N,N′,N′,N′′,N′′-hexamethylguanidinium ion shows orientational disorder and two sets of N- and C-atom positions were found, with an occupancy ratio of 0.535 (3:0.465 (3. The C—N bond lengths in the guanidinium ion range from 1.339 (16 to 1.35 (2 Å, indicating partial double-bond character pointing towards charge delocalization within the NCN planes. The negative charge in the 1,1,3,3-tetracyanoprop-2-en-1-ide ion is delocalized within the CCC planes with the C—C bonds ranging in length from 1.379 (3 to 1.427 (3 Å, also indicating partial double-bond character.

  12. Bis[2-(2-aminoethyl-1H-benzimidazole-κ2N2,N3](nitrato-κ2O,O′cobalt(II chloride trihydrate

    Directory of Open Access Journals (Sweden)

    Jing Zhao

    2012-06-01

    Full Text Available In the title compound, [Co(NO3(C9H11N32]Cl·3H2O, the CoII atom is coordinated by four N atoms from two chelating 2-(2-aminoethyl-1H-benzimidazole ligands and two O atoms from one nitrate anion in a distorted octahedral coordination environment. In the crystal, N—H...Cl, N—H...O, O—H...Cl and O—H...O hydrogen bonds link the complex cations, chloride anions and solvent water molecules into a three-dimensional network. π–π interactions between the imidazole and benzene rings and between the benzene rings are observed [centroid–centroid distances = 3.903 (3, 3.720 (3, 3.774 (3 and 3.926 (3 Å].

  13. Discovery of 4-anilino-N-methylthieno[3,2-d]pyrimidines and 4-anilino-N-methylthieno[2,3-d]pyrimidines as potent apoptosis inducers.

    Science.gov (United States)

    Kemnitzer, William; Sirisoma, Nilantha; May, Chris; Tseng, Ben; Drewe, John; Cai, Sui Xiong

    2009-07-01

    We report the discovery of N-((benzo[d][1,3]dioxol-5-yl)methyl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (2a) as an apoptosis inducer using our proprietary cell- and caspase-based ASAP HTS assay, and SAR study of HTS hit 2a which led to the discovery of 4-anilino-N-methylthieno[3,2-d]pyrimidines and 4-anilino-N-methylthieno[2,3-d]pyrimidines as potent apoptosis inducers. Compounds 5d and 5e were the most potent with EC(50) values of 0.008 and 0.004microM in T47D human breast cancer cells, respectively. Compound 5d was found to be highly active in the MX-1 breast cancer model. Functionally, compounds 5d and 5e both induced apoptosis through inhibition of tubulin polymerization.

  14. THE EFFECTIVENES OF ETANOL EXTRACT, PARTITION N-HEKSANA, AND CROMATHOGRAPHY FRACTION OF MOMORDICA CHARANTIA L. TO LOWER BLOOD GLUCOSE LEVEL

    Directory of Open Access Journals (Sweden)

    Ni Luh Putu Kusuma Clara Dewinda

    2017-08-01

    Full Text Available This study aims to determine the effectiveness of the ethanol extract, partition n-hexane, and chromatography fractions Momordica charantia L. in lowering blood glucose levels in experimental diabetic male rats.  This study used 25 male rats were divided into five treatment groups P0 (negative control, P1 (positive control, P2 (ethanol extract, P3 (partition n-hexane, and P4 (chromatographic fraction the variable observed glucose levels blood for 21 days. Blood glucose levels were analyzed on days -1, 0, 4, 11, 18. The bill, which is used in the form of a completely randomized design (CRD. The data obtained and analyzed by using Split in Time. The results showed of giving chromatographic fractions bitter melon 50 mg / kg body weight can reduce blood glucose levels in hyperglycemic rats better than the ethanol extract 200 mg / kg body weight and partition n-hexane 50 mg / kg body weight.

  15. A Three-Step Atomic Layer Deposition Process for SiN x Using Si2Cl6, CH3NH2, and N2 Plasma.

    Science.gov (United States)

    Ovanesyan, Rafaiel A; Hausmann, Dennis M; Agarwal, Sumit

    2018-06-06

    We report a novel three-step SiN x atomic layer deposition (ALD) process using Si 2 Cl 6 , CH 3 NH 2 , and N 2 plasma. In a two-step process, nonhydrogenated chlorosilanes such as Si 2 Cl 6 with N 2 plasmas lead to poor-quality SiN x films that oxidize rapidly. The intermediate CH 3 NH 2 step was therefore introduced in the ALD cycle to replace the NH 3 plasma step with a N 2 plasma, while using Si 2 Cl 6 as the Si precursor. This three-step process lowers the atomic H content and improves the film conformality on high-aspect-ratio nanostructures as Si-N-Si bonds are formed during a thermal CH 3 NH 2 step in addition to the N 2 plasma step. During ALD, the reactive surface sites were monitored using in situ surface infrared spectroscopy. Our infrared spectra show that, on the post-N 2 plasma-treated SiN x surface, Si 2 Cl 6 reacts primarily with the surface -NH 2 species to form surface -SiCl x ( x = 1, 2, or 3) bonds, which are the reactive sites during the CH 3 NH 2 cycle. In the N 2 plasma step, reactive -NH 2 surface species are created because of the surface H available from the -CH 3 groups. At 400 °C, the SiN x films have a growth per cycle of ∼0.9 Å with ∼12 atomic percent H. The films grown on high-aspect-ratio nanostructures have a conformality of ∼90%.

  16. Transmission of Avian Influenza Virus (H3N2) to Dogs

    OpenAIRE

    Song, Daesub; Kang, Bokyu; Lee, Chulseung; Jung, Kwonil; Ha, Gunwoo; Kang, Dongseok; Park, Seongjun; Park, Bongkyun; Oh, Jinsik

    2008-01-01

    In South Korea, where avian influenza virus subtypes H3N2, H5N1, H6N1, and H9N2 circulate or have been detected, 3 genetically similar canine influenza virus (H3N2) strains of avian origin (A/canine/Korea/01/2007, A/canine/Korea/02/2007, and A/canine/Korea/03/2007) were isolated from dogs exhibiting severe respiratory disease. To determine whether the novel canine influenza virus of avian origin was transmitted among dogs, we experimentally infected beagles with this influenza virus (H3N2) is...

  17. Evaluation of the structural, electronic, topological and vibrational properties of N-(3,4-dimethoxybenzyl)-hexadecanamide isolated from Maca (Lepidium meyenii) using different spectroscopic techniques

    Science.gov (United States)

    Chain, Fernando; Iramain, Maximiliano Alberto; Grau, Alfredo; Catalán, César A. N.; Brandán, Silvia Antonia

    2017-01-01

    N-(3,4-dimethoxybenzyl)-hexadecanamide (DMH) was characterized by using Fourier Transform infrared (FT-IR) and Raman (FT-Raman), Ultraviolet- Visible (UV-Visible) and Hydrogen and Carbon Nuclear Magnetic Resonance (1H and 13C NMR) spectroscopies. The structural, electronic, topological and vibrational properties were evaluated in gas phase and in n-hexane employing ONIOM and self-consistent force field (SCRF) calculations. The atomic charges, molecular electrostatic potentials, stabilization energies and topological properties of DMH were analyzed and compared with those calculated for N-(3,4-dimethoxybenzyl)-acetamide (DMA) in order to evaluate the effect of the side chain on the properties of DMH. The reactivity and behavior of this alkamide were predicted by using the gap energies and some descriptors. Force fields and the corresponding force constants were reported for DMA only in gas phase and n-hexane due to the high number of vibration normal modes showed by DMH, while the complete vibrational assignments are presented for DMA and both forms of DMH. The comparisons between the experimental FTIR, FT-Raman, UV-Visible and 1H and 13C NMR spectra with the corresponding theoretical ones showed a reasonable concordance.

  18. Synthesis and distribution of tritiated N,N`-dibenzoyl-1,3-diaminopropan-2-ol

    Energy Technology Data Exchange (ETDEWEB)

    Lambert, D.M.; Gallez, Bernard [Universite Catholique de Louvain, Dept. des Sciences Pharmaceutiques, Bruxelles (Belgium)

    1996-10-01

    Tritiated N,N`-dibenzoyl-1,3-diaminopropan-2-ol, a compound mimicking a diacylglycerol moiety used as a lipid drug carrier was prepared from N,N`-dibenzoyl-1,3-diaminopropan-2-ol by isotopic exchange in the presence of rhodium chloride. Preliminary preparation of the deuterated analog was made in order to assess the position of the substitution. A biodistribution study was carried out in mice after intravenous administration. Five minutes after administration, the level found in the brain was about 9% of the injected dose per g organ. This value decreases to 1 % 3 hours after administration while at the same time radioactive levels measured in the urine increased. (author).

  19. N-{4-[(2E-3-(2H-1,3-Benzodioxol-5-ylprop-2-enoyl]phenyl}quinoline-3-carboxamide

    Directory of Open Access Journals (Sweden)

    Efrain Polo

    2017-10-01

    Full Text Available An amide chalconehas been synthesized in a two-step reaction. First, N-(4-acetylphenylquinoline-3-carboxamide 2 was synthesized by the reaction of quinoline-3-carboxylic acid 1 and thionyl chloride (SOCl2, following the addition of 4-aminoacetophenone. Then, a typical Claisen–Schmidtreactionwas made between 2 and piperonal using KOH solution as a catalystin ethanol, under ultrasonic irradiation. The structure of the target compound was established by FTIR (Fourier-transform infrared spectroscopy, HRMS, 1H and 13C-NMR.

  20. Crystal structure of catena-poly[[silver(I-μ-N-(pyridin-2-ylmethylpyridine-3-amine-κ2N:N′] trifluoromethanesulfonate

    Directory of Open Access Journals (Sweden)

    Suk-Hee Moon

    2014-11-01

    Full Text Available In the asymmetric unit of the title compound, {[Ag(C11H11N3]CF3SO3}n, there are two AgI atoms, two N-(pyridine-2-ylmethylpyridine-3-amine ligands (A and B and two CF3SO3− anions. Both AgI atoms are bridged by two pyridine N atoms from two symmetry-related A or B ligands, forming right- or left-handed helical chains, respectively. The AgI atom of the right-handed helical chain adopts a slightly distorted linear coordination geometry [N—Ag—N = 170.69 (14°], while that of the left-handed helical chain adopts a bent geometry [N—Ag—N = 149.42 (14°]. Both helical chains have the same pitch length [10.8437 (5 Å], propagate along the b-axial direction and are alternately arranged via Ag...Ag [3.0814 (5 Å] and π–π stacking interactions [centroid–centroid distances = 3.514 (3 and 3.487 (3 Å], resulting in the formation of a two-dimensional supramolecular network extending parallel to the ab plane. Weak Ag...O [2.861 (4, 2.617 (3, and 2.624 (4 Å] and Ag...F [3.017 (3 Å] interactions as well as N—H...O and C—H...O, C—H...N and C—H...F hydrogen-bonding interactions occur between the helical chains and the anions.

  1. Pre-treatment by n-hexane extract of Phyllanthus niruri can alleviate paracetamol-induced damage of the rat liver

    Directory of Open Access Journals (Sweden)

    Md Jalaluddin Iqbal

    2007-03-01

    Full Text Available The present study aimed to obtain and evaluate remedy against viral hepatitis with Phyllanthus niruri (Bhui amla. Viral infection and toxic doses of paracetamol produce similar pattern of hepatotoxicity. Hepatotoxicity was induced by administering paracetamol (750 mg/kg body weight, single dose intraperitoneal into one group (group P of rats. Propylene glycol (vehicle was administered (2 ml into another group (group V of rats. 4 groups of P. niruri extract-pretreated (200 mg/kg body weight/day for 7 days rats were administered the same single dose of paracetamol on the 7th day. Extract of P. niruri were obtained through ethanol (E, hexane (H, dichloromethane (D and butane (B. Rat groups were V, P, E + P, H + P, D + P and B + P. Each group consisted of 6 rats and were sacrificed on the 9th day. Parameters for evaluation were biochemical (serum ALT, serum AST, serum ALP, serum bilirubin, hepatic reduced glutathione concentrations and hepatic histology. Propylene glycol (group V appeared non-toxic to the liver while significant degrees of centrilobuler hepatotoxicity was observed in group P paracetamol-treated rats. The E + P group suggested significant improvements in the serum parameters but these parameters appeared better alleviated in the H + P group. Hepatic reduced glutathione concentrations were replenished to the control level in both E + P and H + P groups. Hepatic histology supported biochemical and other observations in the P, E + P and H + P groups. Lesser degrees of alleviations were observed in the D + P and B + P groups. However, the hexane extract-pretreated group (H + P appeared to provide the most significant hepatoprotection against paracetamol induced hepatotoxicity in the rat. Titration of the dose following isolation of the active ingredient might offer complete alleviation.

  2. Pre-treatment by n-hexane extract of Phyllanthus niruri can alleviate paracetamol-induced damage of the rat liver

    Directory of Open Access Journals (Sweden)

    Md. Jalaluddin Iqbal, Fawzia Z. Dewan, S.A.R.Chowdhury, M.I.R. Mamun,

    2007-06-01

    Full Text Available The present study aimed to obtain and evaluate remedy against viral hepatitis with Phyllanthus niruri (Bhui amla. Viral infection and toxic doses of paracetamol produce similar pattern of hepatotoxicity. Hepatotoxicity was induced by administering paracetamol (750 mg/kg body weight, single dose intraperitoneal into one group (group P of rats. Propylene glycol (vehicle was administered (2 ml into another group (group V of rats. Four groups of P. niruri extract-pretreated (200 mg/kg body weight/day for 7 days rats were administered the same single dose of paracetamol on the 7th day. Extract of P. niruri were obtained through ethanol (E, hexane (H, dichloromethane (D and butane (B. Rat groups were V, P, E + P, H + P, D + P and B + P. Each group consisted of 6 rats and were sacrificed on the 9th day. Parameters for evaluation were biochemical (serum ALT, serum AST, serum ALP, serum bilirubin, hepatic reduced glutathione concentrations and hepatic histology. Propylene glycol (group V appeared non-toxic to the liver while significant degrees of centrilobuler hepatotoxicity was observed in group P paracetamol-treated rats. The E + P group suggested significant improvements in the serum parameters but these parameters appeared better alleviated in the H + P group. Hepatic reduced glutathione concentrations were replenished to the control level in both E + P and H + P groups. Hepatic histology supported biochemical and other observations in the P, E + P and H + P groups. Lesser degrees of alleviations were observed in the D + P and B + P groups. However, the hexane extract-pretreated group (H + P appeared to provide the most significant hepatoprotection against paracetamol induced hepatotoxicity in the rat. Titration of the dose following isolation of the active ingredient might offer complete alleviation.

  3. N,N-Diethyl-2-[5-(4-methoxybenzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

    Directory of Open Access Journals (Sweden)

    Vijayan Viswanathan

    2017-05-01

    Full Text Available In the title compound, C17H20N2O4S, the thiazolidine (r.m.s. deviation = 0.022 Å and phenyl rings (major and minor occupancies are inclined to one another by 6.3 (3 and 10.5 (3°, respectively. The molecular conformation is stabilized by an intramolecular C—H...S interaction. In the crystal, molecules are linked by C—H...O hydrogen bonds, which generate R22(18, R22(24 and R21(7 ring motifs. Aromatic π–π stacking interactions are also observed.

  4. Tetraaquatetrakis{μ3-3,3′-[(E,E-ethane-1,2-diylbis(nitrilomethylidyne]benzene-1,2-diolato}octazinc(II N,N-dimethylformamide hexasolvate

    Directory of Open Access Journals (Sweden)

    Lan-Sun Zheng

    2009-12-01

    Full Text Available The asymmetric unit of the title compound [Zn8(C16H12N2O44(H2O4]·6C3H7NO, consists of eight ZnII cations, four tetravalent anionic ligands, L4− (L4− = 3,3′-(1E,1′E-(ethane-1,2-diylbis(azan-1-yl-1-ylidenebis(methan-1-yl-1-ylidenedibenzene-1,2-bis(olate, four coordinated water molecules and six N,N-dimethylformamide solvate molecules. The coordination complex comprises an octanuclear ZnII unit with its ZnII centers coordinated in two discrete distorted square-pyramidal geometries. Four ZnII atoms each coordinate to two nitrogen atoms and two phenolate oxygen atoms from an individual L4− ligand and one coordinated water molecule. The other four ZnII atoms each bind to five phenolate oxygen atoms from three different L4− ligands. In the crystal structure, the ZnII complex unit, coordinated water molecules and dimethylformamide solvate molecules are linked via O—H...O and C—H...O hydrogen bonds. Molecules are connected by additional intermolecular O—H...O and C—H...O hydrogen bonds, forming an extensive three dimensional framework.

  5. Atmospheric chemistry of CH3O(CF2CF2O)(n)CH3 (n=1-3): Kinetics and mechanism of oxidation initiated by Cl atoms and OH radicals, IR spectra, and global warmin potentials

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Hurley, MD; Wallington, TJ

    2004-01-01

    Smog chambers equipped with FTIR spectrometers were used to study the Cl atom and OH radical initiated oxidation of CH3O(CF2CF2O)(n)CH3 (n = 1-3) in 720 +/- 20 Torr of air at 296 +/- 3 K. Relative rate techniques were used to measure k(Cl + CH3O(CF2CF2O)(n)CH3) (3.7 +/- 10.7) x 10(-13) and k......(OH + CH3O(CF2CF2O)(n)CH3) = (2.9 +/- 0.5) x 10(-11) cm(3) molecule(-1) s(-1) leading to an estimated atmospheric lifetime of 2 years for CH3O(CF2CF2O),CH3. The Cl initiated oxidation of CH3O(CF2CF2O),CH3 in air diluent gives CH3O(CF2CF2O)(n)C(O)H in a yield which is indistinguishable from 100 Further...... oxidation leads to the diformate, H(O)CO(CF2CF2O)(n)C(O)H. A rate constant of k(Cl + CH3O(CF2CF2O)(n)CHO) = (1.81 +/- 0.36) x 10(-13) cm(3) molecule(-1) s-1 was determined. Quantitative infrared spectra for CH3O(CF2CF2O)(n)CH3 (n = 1-3) were recorded and used to estimate halocarbon global warming potentials...

  6. Chemical composition of the essential oil and hexanic fraction of Lippia and Lantana species

    Directory of Open Access Journals (Sweden)

    Pâmela S. Silva

    2010-11-01

    Full Text Available A comparison between two extraction approaches of volatiles compounds from six species of Verbenaceae collected at Serra do Cipó, Minas Gerais, Brazil was done. The essential oil and hexanic fraction of leaves from two Lantana and four Lippia species collected in two different seasons were analyzed by GC/MS. Among various identified compounds from both extraction methods the majority of species showed major amounts of β-caryophyllene followed by germacrene D, bicyclogermacrene and α-pinene. Few differences were observed between the composition of essential oil and the hexanic fraction regarding the two studied genera. These results suggest that the analysis of hexanic fraction can be used, as an alternative way, to analyze the volatile compounds of the essential oil.

  7. Identifikasi Secara Serologi Galur Virus Flu Burung Subtipe H5N1 Clade 2.1.3 dan Clade 2.3.2 pada Ayam Petelur (SEROLOGICAL IDENTIFICATION OF AVIAN INFLUENZA STRAIN VIRUS SUBTYPE H5N1 CLADE 2.1.3 AND CLADE 2.3.2 FROM LAYER

    Directory of Open Access Journals (Sweden)

    Aprilia Kusumastuti

    2015-10-01

    Full Text Available The aim of the study was to know avian influenza (AI infection in field by using serology test in threemarketing area of AI vaccines. Haemagglutination inhibition methode was used in this test. There werefour antigen strains of AI subtype H5N1 clade 2.1.3 (AIstrainA/Chicken/West Java/PWT-WIJ/2006, AIstrain A/Chicken/Garut/BBVW-223/2007, AI strain A/Chicken/West Java-Nagrak/30/2007, and AI strainA/Chicken/Pekalongan/BBVW-208/2007 and 2 antigen strains of AI subtype H5N1 clade 2.3.2 (AI strainA/duck/Sukoharjo/BBVW-1428-9/2012 and AI strain A/duck/Sleman/BBVW-1463-10/2012 was used inthis study for HI test. The result presents that 93,33% chicken farms in three marketing area of PT. SanbioLaboratories have positive antibody titre to AI subtype H5N1 clade 2.1.3. This titre may be obtained fromAI clade 2.1.3 vaccination. From 15 samples, 92,86% are positive to AI subtype H5N1 clade 2.3.2A/duck/Sukoharjo/BBVW-1428-9/2012 and 92,31% are positive to A/duck/Sleman/BBVW-1463-10/2012 evenwithout AI clade 2.3.2 vaccination. This antibody titre may be obtained from AI clade 2.1.3 vaccine crossprotection or field infection.

  8. N,N′-Bis(3-chloro-2-fluorobenzylideneethane-1,2-diamine

    Directory of Open Access Journals (Sweden)

    Reza Kia

    2008-10-01

    Full Text Available The molecule of the title centrosymmetric Schiff base compound, C16H12Cl2F2N2, adopts an E configuration with respect to the azomethine C=N bond. The imino groups are coplanar with the aromatic rings. Within the molecule, the planar units are parallel, but extend in opposite directions from the dimethylene bridge. An interesting feature of the crystal structure is the short intermolecular Cl...F [3.1747 (5 Å] interactions, which are shorter than the sum of the van der Waals radii of these atoms. These interactions link neighbouring molecules along the b axis. The crystal structure is further stabilized by π–π interactions, with a centroid–centroid distance of 3.5244 (4 Å.

  9. Venom and Dufour's glands of the emerald cockroach wasp Ampulex compressa (Insecta, Hymenoptera, Sphecidae): structural and biochemical aspects.

    Science.gov (United States)

    Gnatzy, Werner; Michels, Jan; Volknandt, Walter; Goller, Stephan; Schulz, Stefan

    2015-09-01

    volatile compound, 2-methylpentan-3-one, was identified in various concentrations in the lipid extract of the Dufour's gland. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. (Z-N-[3-(4-Bromobenzoyl-1,3-thiazolidin-2-ylidene]cyanamide

    Directory of Open Access Journals (Sweden)

    Ling Xu

    2010-12-01

    Full Text Available In the title compound, C11H8BrN3OS, the dihedral angle between the benzene and thiazolidine rings is 63.4 (2°. Intermolecular C—H...N interactions help to stabilize the crystal structure.

  11. Stability of [MeBu3N][Tf2N] under gamma irradiation

    International Nuclear Information System (INIS)

    Bosse, Emilie; Berthon, Laurence; Zorz, Nicole; Monget, Julie; Berthon, Claude; Bisel, Isabelle; Legand, Solene; Moisy, Philippe

    2008-01-01

    The stability of the ionic liquid [MeBu 3 N][Tf 2 N], dry or after contact with water (where [MeBu 3 N] + is the methyl-tributyl-ammonium cation and [Tf 2 N] - is the bistriflimide anion), was studied under 137 Cs gamma irradiation in argon and in air. In a quantitative study with an absorbed dose of 2 MGy this ionic liquid was highly stable regardless of the radiolysis conditions. The radiolytic disappearance yields determined by ESI-MS were -0.38 and -0.25 μmol*J -1 for the cation and anion, respectively. ESI-MS, NMR, and liquid chromatography coupled with ESI-MS identified a large number of degradation products in very small quantities for the same dose. The cation radicals were formed by the loss of a Bu . group, the Me . group, or two H . atoms to form a double bond with the butyl chain. Radiolysis of the anion produced mainly F . and CF 3 . radicals. The anion radicals recombined with the cation to form a wide range of secondary degradation products regardless of the radiolysis conditions. (authors)

  12. Comparison of Hexane Vapour Permeation in Two Different Polymeric Membranes via an Innovative In-line FID Detection Method

    Directory of Open Access Journals (Sweden)

    Z. Petrusová

    2017-07-01

    Full Text Available This manuscript presents a novel method for the analysis of vapour permeation through polymeric membranes based on in-line analysis of the permeate with an FID detector. The hexane vapour permeation was studied for two commercially available membranes, namely low-density polyethylene (LDPE and thin-film-composite polyamide (PA membrane. The hexane permeation was studied at temperatures of 25–45 °C, hexane vapour activity in the range of 0.2–0.8 and trans-membrane pressures of 5–50 kPa. Two fundamentally different membranes were chosen to demonstrate the potential and sensitivity of the permeation apparatus. Upon increasing the temperature from 25 to 45 °C, the flux in LDPE was found to increase almost fourfold over the whole activity range. The nonlinear increase of the flux with activity indicates plasticization of the polymer by hexane. Contrarily, the flux in the PA membrane increases almost linearly with activity, with only a minor upward curvature. Since the PA is far away from any phase transition, it is less temperature-dependent than LDPE. The activation energy for permeation demonstrates that the temperature dependence in the LDPE membrane is dominated by changes in diffusion, whereas it is dominated by changes in solubility in the PA membrane.

  13. Bis[3,5-difluoro-2-(4-methylpyridin-2-ylphenyl-κ2C1,N](picolinato-κ2N,Oiridium(III chloroform monosolvate

    Directory of Open Access Journals (Sweden)

    Young-Inn Kim

    2011-09-01

    Full Text Available In the title complex, [Ir(C12H8F2N2(C6H4NO2]·CHCl3, two similar molecules of each component comprise the asymmetric unit. The independent complex molecules are linked by intermolecular π–π interactions [centroid–centroid distance = 3.830 (4 Å]. The IrIII ion adopts a distorted octahedral geometry, being coordinated by three N atoms, two C atoms, and one O atom of three bidentate ligands, with the N atoms arranged meridionally.

  14. Natural co-infection of influenza A/H3N2 and A/H1N1pdm09 viruses resulting in a reassortant A/H3N2 virus.

    Science.gov (United States)

    Rith, Sareth; Chin, Savuth; Sar, Borann; Y, Phalla; Horm, Srey Viseth; Ly, Sovann; Buchy, Philippe; Dussart, Philippe; Horwood, Paul F

    2015-12-01

    Despite annual co-circulation of different subtypes of seasonal influenza, co-infections between different viruses are rarely detected. These co-infections can result in the emergence of reassortant progeny. We document the detection of an influenza co-infection, between influenza A/H3N2 with A/H1N1pdm09 viruses, which occurred in a 3 year old male in Cambodia during April 2014. Both viruses were detected in the patient at relatively high viral loads (as determined by real-time RT-PCR CT values), which is unusual for influenza co-infections. As reassortment can occur between co-infected influenza A strains we isolated plaque purified clonal viral populations from the clinical material of the patient infected with A/H3N2 and A/H1N1pdm09. Complete genome sequences were completed for 7 clonal viruses to determine if any reassorted viruses were generated during the influenza virus co-infection. Although most of the viral sequences were consistent with wild-type A/H3N2 or A/H1N1pdm09, one reassortant A/H3N2 virus was isolated which contained an A/H1N1pdm09 NS1 gene fragment. The reassortant virus was viable and able to infect cells, as judged by successful passage in MDCK cells, achieving a TCID50 of 10(4)/ml at passage number two. There is no evidence that the reassortant virus was transmitted further. The co-infection occurred during a period when co-circulation of A/H3N2 and A/H1N1pdm09 was detected in Cambodia. It is unclear how often influenza co-infections occur, but laboratories should consider influenza co-infections during routine surveillance activities. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

  15. Study of thermodynamic and transport properties of binary liquid mixtures of n-decane with hexan-2-ol, heptan-2-ol and octan-2-ol at T = 298.15 K. Experimental results and application of the Prigogine–Flory–Patterson theory

    International Nuclear Information System (INIS)

    Mahajan, Aravind R.; Mirgane, Sunil R.

    2013-01-01

    Highlights: • The large positive V m E values are obtained for the binary mixtures at 298.15 K. • Excess isentropic compressibilities for the binary mixtures are positive over the whole composition range. • The values of G ∗E for all binary mixtures are negative over entire mole fraction. • Viscosities measured for the binary mixtures were correlated with values calculated by various viscosity models. • PEP theory, Bloomfield and Dewan model and Jouyban–Acree model are also used to correlate the experimental data. -- Abstract: Densities and viscosities of binary mixtures of n-decane with hexan-2-ol, heptan-2-ol and octan-2-ol have been measured over the entire range of composition at T = 298.15 K and at atmospheric pressure. From the experimental values of density and viscosity, the excess molar volumes (V m E ) and excess Gibbs energy of activation of viscous flow (G ∗E ) have been calculated. These results were fitted to Redlich–Kister polynomial equations to estimate the binary coefficients and standard errors. Jouyban–Acree model is used to correlate the experimental values of density, viscosity and ultrasonic velocity at T = 298.15 K. The results of the viscosity-composition are discussed in the light of various viscosity semi-empirical equations. The experimental results have been used to test the applicability of the Prigogine–Flory–Patterson (PFP) theory. The values of Δln η have also been analysed using Bloomfield and Dewan model. The experimental and calculated quantities are used to study the nature of mixing behaviour between the mixtures

  16. System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO{sub 2}, n-alkanes, and poly(ethylene glycol) dimethyl ethers

    Energy Technology Data Exchange (ETDEWEB)

    Moultos, Othonas A.; Economou, Ioannis G. [Chemical Engineering Program, Texas A& M University at Qatar, P.O. Box 23847, Doha (Qatar); Zhang, Yong; Maginn, Edward J., E-mail: ed@nd.edu [Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Tsimpanogiannis, Ioannis N. [Chemical Engineering Program, Texas A& M University at Qatar, P.O. Box 23847, Doha (Qatar); Environmental Research Laboratory, National Center for Scientific Research “Demokritos,” 15310 Aghia Paraskevi Attikis (Greece)

    2016-08-21

    Molecular dynamics simulations were carried out to study the self-diffusion coefficients of CO{sub 2}, methane, propane, n-hexane, n-hexadecane, and various poly(ethylene glycol) dimethyl ethers (glymes in short, CH{sub 3}O–(CH{sub 2}CH{sub 2}O){sub n}–CH{sub 3} with n = 1, 2, 3, and 4, labeled as G1, G2, G3, and G4, respectively) at different conditions. Various system sizes were examined. The widely used Yeh and Hummer [J. Phys. Chem. B 108, 15873 (2004)] correction for the prediction of diffusion coefficient at the thermodynamic limit was applied and shown to be accurate in all cases compared to extrapolated values at infinite system size. The magnitude of correction, in all cases examined, is significant, with the smallest systems examined giving for some cases a self-diffusion coefficient approximately 15% lower than the infinite system-size extrapolated value. The results suggest that finite size corrections to computed self-diffusivities must be used in order to obtain accurate results.

  17. NH (X 3 summation -, v=1--3) formation and vibrational relaxation in electron-irradiated Ar/N2/H2 mixtures

    International Nuclear Information System (INIS)

    Dodd, J.A.; Lipson, S.J.; Flanagan, D.J.; Blumberg, W.A.M.; Person, J.C.; Green, B.D.

    1991-01-01

    Measurements of the dynamics of NH(X 3 summation - , v =1--3), created in electron-irradiated N 2 /H 2 and Ar/N 2 /H 2 mixtures, have been performed. Time-resolved Fourier spectroscopy was used to observe NH(v→v--1) vibrational fundamental band emission. Time-dependent populations were then determined by spectral fitting. Subsequent kinetic fitting of these populations using a single-quantum relaxation model and a power-law dependence of k v on v yielded the following NH(v =1--3) relaxation rate constants (units of 10 -14 cm 3 s -1 ): k v=1 (N 2 )=1.2±0.5, k v=2 (N 2 )=3.8±1.5, k v=3 (N 2 )=7.5±2.5; k v=1 (Ar)=0.2±0.1, k v=2 (Ar)=0.5±0.2, k v=3 (Ar)=0.8±0.3; k v=1 (H 2 )≤50, k v=2 (H 2 )≤100, k v=3 (H 2 )≤150. In addition, the N 2 /H 2 data provided a measurement of the nascent excited vibrational state distribution resulting from the reaction N( 2 D)+H 2 →NH(X,v)+H. The ratio NH(1):NH(2):NH(3) was found to be 1.0:0.97:0.81 (±0.28 in each value). Comparison of the observed nascent distribution with that of a statistical model suggests that the ratio NH(0):NH(1)=0.47. Using this derived distribution, we find the average product level left-angle v right-angle =1.6, and the fraction of the available product energy in vibration left-angle f v right-angle =0.44

  18. Thermal expansion of superconducting phases Bi sub 2 Sr sub 2 Ca sub n-1 Cu sub n O sub 2n+2+. delta. with n=1,2,3. Termicheskoe rasshirenie sverkhprovodyashchikh faz Bi sub 2 Sr sub 2 Ca sub n-1 Cu sub n O sub 2n+2+. delta. s n=1,2,3

    Energy Technology Data Exchange (ETDEWEB)

    Zhurov, V V; Ivanov, S A [Nauchno-Issledovatel' skij Fiziko-Khimicheskij Inst., Moscow (USSR); Bush, A A; Romanov, B N [Moskovskij Inst. Radiotekhniki, Ehlektroniki i Avtomatiki, Moscow (USSR)

    1990-10-01

    Consideration is given to results of X-ray diffraction studies of temperature dependences of a{sub 0},c{sub 0} sublattice parameters of Bi{sub 2}Sr{sub 2}Ca{sub n-1}Cu{sub n}O{sub 2n+2+}{delta} superconducting phases with n=1,2,3 (2201, 2212, 2223) in 90-1000 K range. The obtained dependences are composed of some temperature linear sections, where values of thermal coefficients of linear expansion {alpha}{sub a}, {alpha}{sub c} were determined for all examined phases. During first heating of samples of 2212 phase a{sub 0}(T), c{sub 0}(T) dependences deviate in {approx equal}500-700 K range from linear ones till the occurence of a section with negative a{sub c}. After heating of 2212 phase up to T>{approx equal}700 K and cooling down to 300 K, a{sub 0},c{sub 0} parameters decrease by {approx equal}0.006 and 0.08 A respectively. Data on the effect of preparation method and thermal prehistory of 2212 samples and on relative content of calcium atoms in them for these anomalies were obtained. Some possible reasons of their occurence were analyzed.

  19. Estudo da viabilidade de obtenção de cerâmicas de SiC por infiltração espontânea de misturas eutéticas de Y2O3-AlN, Y2O3-Al2O3, R2O3-AlN Study of the viability to produce SiC ceramics by Y2O3-AlN, Y2O3-Al2O3, R2O3-AlN spontaneous infiltration

    Directory of Open Access Journals (Sweden)

    G. C. R. Garcia

    2008-06-01

    Full Text Available As cerâmicas de carbeto de silício, SiC, apresentam excelentes propriedades quando obtidas por infiltração de determinados líquidos. Na infiltração o tempo de contato entre o líquido e o SiC a temperaturas elevadas é muito curto, diminuindo a probabilidade de formação dos produtos gasosos que interferem negativamente na resistência da peça final, como ocorre na sinterização via fase líquida. O objetivo deste trabalho é mostrar uma correlação entre molhabilidade e capacidade de infiltração de alguns aditivos em compactos de SiC. Foram preparados compactos de SiC por prensagem isostática a frio e posterior pré-sinterização via fase sólida. Nesses compactos foram infiltradas misturas de Y2O3-AlN, Y2O3-Al2O3, R2O3-AlN, nas composições eutéticas, 10 ºC acima da temperatura de fusão das respectivas misturas por 4, 8 e 12 min. Após infiltração, as amostras foram analisadas quanto à densidade aparente e real, fases cristalinas, microestrutura e grau de infiltração, sendo que as amostras infiltradas com Y2O3-AlN apresentaram melhores resultados.Silicon carbide ceramics, SiC, obtained by liquid infiltration have shown excellent properties. In infiltration process the contact time of the liquid with SiC at elevated temperature is short, decreasing the probability to form gaseous products that contribute negatively in the final product properties. This phenomenon occurs during SiC liquid phase sintering. The purpose of the present study was to investigate the correlation between wettability and infiltration tendency of some additives in SiC compacts. SiC compacts were prepared by cold isostatic pressing followed by solid phase pre-sintering. Into the compacts were introduced Y2O3-AlN, Y2O3-Al2O3, R2O3-AlN liquids with eutectic compositions at a temperature 10 ºC higher than the melting point of each mixture for 4, 8 and 12 min. Before infiltration, the samples were analyzed by determining densities, crystalline phases

  20. Fatigue strength of Al2O3 and Si3N4 ceramics

    International Nuclear Information System (INIS)

    Sonsino, C.M.

    1992-01-01

    Various Al 2 O 3 ceramics and random samples of two Si 3 N 4 ceramics were examined, with all specimens differing in terms of material and manufacturing parameters. Of the Al 2 O 3 ceramics, randomly selected specimens were tested for their banding strength at room temperature, and three specifically selected specimens were tested for their compressive strength at room temperature, at 800 C and at 1200 C. A number of specimen variants were examined by cyclic fatigue tests at room temperature and 800 C, and at 1200 C in one case, the specimens used being slightly notched specimens (α n = 1,02 and 1,08), or more heavily notched speciments (α n = 1.77, 1.90 and 2.24), with bending loads being either cyclic or growing. The Si 3 N 4 specimens were randomly chosen for bending tests and cyclic fatigue tests, at room temperature. (orig./MM) [de

  1. Crystal structure of 4-tert-butyl-2-{2-[N-(3,3-dimethyl-2-oxobutyl-N-isopropylcarbamoyl]phenyl}-1-isopropyl-1H-imidazol-3-ium perchlorate

    Directory of Open Access Journals (Sweden)

    Olga V. Hordiyenko

    2015-02-01

    Full Text Available In the title salt, C26H40N3O2+·ClO4−, the positive charge of the organic cation is delocalized between the two N atoms of the imidazole ring. The C...;N bond distances are 1.338 (2 and 1.327 (3 Å. The substituents on the benzene ring are rotated almost orthogonal with respect to this ring due to the presence of the bulky isopropyl substituents. The dihedral angle between the benzene and imidazole rings is 75.15 (12°. Three of the O atoms of the anion are disordered over two sets of sites due to rotation around one of the O—Cl bonds. The ratio of the refined occupancies is 0.591 (14:0.409 (14. In the crystal, the cation and perchlorate anion are bound by an N—H...O hydrogen bond. In addition, the cation–anion pairs are linked into layers parallel to (001 by multiple weak C—H...O hydrogen bonds.

  2. Raman study of HgBa 2Ca n-1 Cu nO 2 n+2+ δ ( n=1,2,3,4 and 5) superconductors

    Science.gov (United States)

    Zhou, Xingjiang; Cardona, M.; Chu, C. W.; Lin, Q. M.; Loureiro, S. M.; Marezio, M.

    1996-02-01

    Polarized micro-Raman scattering measurements have been performed on the five members of the HgBa 2Ca n-1 Cu nO 2 n+2+ δ ( n=1,2,3,4 and 5) high- Tc superconductor family using different laser frequencies. Local laser annealing measurements were carried out to investigate the variation of the Raman spectra with the excess oxygen content, δ. A systematic evolution of the spectra, which display mainly peaks near 590, 570, 540 and 470 cm -1, with increasing number of CuO 2 layers has been observed; its origin has been shown to lie in the variation of the interstitial oxygen content. In addition to confirming that the 590 cm -1 mode represents vibration of apical oxygens in the absence of neighboring excess oxygen, the 570 cm -1 mode, which may be composed of some finer structures, has been assigned to the vibration of the apical oxygen modified by the presence of the neighboring excess oxygens. The 540 and 470 cm -1 modes may represent the direct vibration of excess oxygens. The implication of possible different distribution sites of excess oxygens is discussed. All other observed lower-frequency modes are also assigned.

  3. M2-Branes in N = 3 Harmonic Superspace

    Directory of Open Access Journals (Sweden)

    E. Ivanov

    2010-01-01

    Full Text Available We give a brief account of the recently proposed N = 3 superfield formulation of the N = 6, 3D superconformal theory of Aharony et al (ABJM describing a low-energy limit of the system of multiple M2-branes on the AdS4×S7/Zk background. This formulation is given in harmonic N = 3 superspace and reveals a number of surprising new features. In particular, the sextic scalar potential of ABJM arises at the on-shell component level as the result of eliminating appropriate auxiliary fields, while there is no explicit superpotential at the off-shell superfield level.

  4. The inverse perovskite nitrides (Sr{sub 3}N{sub 2/3-x})Sn, (Sr{sub 3}N{sub 2/3-x})Pb, and (Sr{sub 3}N)Sb. Flux crystal growth, crystal structures, and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    Pathak, Manisha; Bobnar, Matej; Ormeci, Alim; Prots, Yurii; Hoehn, Peter [Chemische Metallkunde, Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Stoiber, Dominik; Niewa, Rainer [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany)

    2018-02-15

    Black single crystals with metallic luster of (Sr{sub 3}N{sub 2/3-x})E (E = Sn, Pb) and (Sr{sub 3}N)Sb were grown in lithium flux from strontium nitride, Sr{sub 2}N, and tin, lead, or antimony, respectively. Nitrogen deficiency in the tin and the lead compound is a result of the higher ionic charge of the tetrelide ions E{sup 4-} as compared to the antimonide ion Sb{sup 3-}. In contrast to microcrystalline samples from solid state sinter reactions obtained earlier, the flux synthesis induces nitrogen order in the nitrogen deficient tetrelides. The antimony compound crystallizes as inverse cubic perovskite [a = 517.22(5) pm, Z = 1, space group Pm3m, no. 221] with fully occupied nitrogen site, whereas the nitrogen deficient tin and lead compounds exhibit partially ordered arrangements and a certain phase width in respect to nitrogen contents. For the tetrelides, the nitrogen order leads to a cubic 2 x 2 x 2 superstructure [E = Sn: a = 1045.64(8) pm for x = 0, a = 1047.08(7) pm for x = 0.08; and E = Pb: a = 1050.7(1) pm for x = 0, space group Fm3m, no. 225] as derived from single-crystal X-ray diffraction data. The metallic tetrelides show diamagnetic behavior, which is consistent with electronic structure calculations. (copyright 2018 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Determination of nucleic acids based on the quenching effect on resonance light scattering of the Y(III)-1,6-bi(1'-phenyl-3'-methyl-5'-pyrazolone-4'-)hexane-dione system.

    Science.gov (United States)

    Wu, Xia; Yang, Jing He; Sun, Shuna; Guo, Changying; Ran, Dehuan; Zheng, Jinhua

    2006-01-01

    Nucleic acids can quench resonance light scattering (RLS) intensity of the Y(III)-1,6-bi(1'-phenyl-3'-methyl-5'-pyrazolone-4'-)hexane-dione(BPMPHD) complex in the pH range 5.0-5.8. Under optimal conditions, there are linear relationships between the quenching of RLS and the concentration of nucleic acids in the range 6.3 x 10(-8)-2.1 x 10(-5) g/mL for fish sperm DNA (fsDNA), 1.2 x 10(-8)-5.0 x 10(-5) g/mL for calf thymus DNA (ctDNA) and 6.0 x 10(-8)-2.0 x 10(-5) g/mL for yeast RNA (yRNA). The detection limits (3 s) of fsDNA, ctDNA and yRNA are 0.7 ng/mL, 3.8 ng/mL and 4.2 ng/mL, respectively. Copyright (c) 2006 John Wiley & Sons, Ltd.

  6. [(2S-2-(3,5-Dichloro-2-oxidobenzylideneamino-3-(4-hydroxyphenylpropionato-κ3O,N,O′](dimethylformamide-κOcopper(II

    Directory of Open Access Journals (Sweden)

    Hong Liang

    2008-04-01

    Full Text Available In the title complex, [Cu(C16H11Cl2NO4(C3H7NO] , the CuII atom is coordinated by two O atoms and one N atom from the tridentate ligand L2− {LH2 = (2S-[2-(3,5-dichloro-2-hydroxybenzylideneimino]-3-(4-hydroxyphenylpropionic acid} and one O atom from a dimethylformamide molecule, resulting in a slightly distorted square-planar geometry. The structure forms a one-dimensional chain through weak coordination bonds [Cu...O 3.080 (1, Cu...Cl 3.269 (1 Å] and a three-dimensional network through O—H...O and C—H...O hydrogen bonds.

  7. Synthesis and Biological Evaluation of N-Alkoxyphenyl-3-hydroxynaphthalene-2-carboxanilides

    Directory of Open Access Journals (Sweden)

    Tomas Gonec

    2015-05-01

    Full Text Available A series of fifteen new N-alkoxyphenylanilides of 3-hydroxynaphthalene-2-carboxylic acid was prepared and characterized. Primary in vitro screening of the synthesized compounds was performed against Staphylococcus aureus, three methicillin-resistant S. aureus strains, Mycobacterium tuberculosis H37Ra and M. avium subsp. paratuberculosis. Some of the tested compounds showed antibacterial and antimycobacterial activity against the tested strains comparable with or higher than that of the standards ampicillin or rifampicin. 3-Hydroxy-N-(2-propoxyphenylnaphthalene-2-carboxamide and N-[2-(but-2-yloxy-phenyl]-3-hydroxynaphthalene-2-carboxamide had MIC = 12 µM against all methicillin-resistant S. aureus strains; thus their activity is 4-fold higher than that of ampicillin. The second mentioned compound as well as 3-hydroxy-N-[3-(prop-2-yloxyphenyl]-naphthalene-2-carboxamide had MICs = 23 µM and 24 µM against M. tuberculosis respectively. N-[2-(But-2-yloxyphenyl]-3-hydroxynaphthalene-2-carboxamide demonstrated higher activity against M. avium subsp. paratuberculosis than rifampicin. Screening of the cytotoxicity of the most effective antimycobacterial compounds was performed using THP-1 cells, and no significant lethal effect was observed for the most potent compounds. The compounds were additionally tested for their activity related to inhibition of photosynthetic electron transport (PET in spinach (Spinacia oleracea L. chloroplasts. N-(3-Ethoxyphenyl-3-hydroxynaphthalene-2-carboxamide (IC50 = 4.5 µM was the most active PET inhibitor. The structure-activity relationships are discussed.

  8. Diaqua-2κ2O-bis(μ-1-oxido-2-naphthoato-1:2κ3O1,O2:O2′;2:3κ3O2:O1,O2′-bis(1-oxido-2-naphthoato-1κ1O2,O2;3κ2O1,O2-hexapyridine-1κ2N,2κ2N,3κ2N-trimanganese(II/III pyridine disolvate dihydrate

    Directory of Open Access Journals (Sweden)

    Daqi Wang

    2008-12-01

    Full Text Available The title complex, [Mn3(C11H6O34(C5H5N6(H2O22H22C5H5N, is a trinuclear mixed oxidation state complex of overline1 symmetry. The three Mn atoms are six-coordinated in the shape of distorted octahedra, each coordinated with an O4N2 set of donor atoms, where the ligands exhibit mono- and bidentate modes. However, the coordination of the MnII ion located on the inversion centre involves water molecules at two coordination sites, whereas that of the two symmetry-related MnIII ions involves an O4N2 set of donor atoms orginating from the organic ligands. Intramolecular C—H...π interactions between neighbouring pyridine ligands stabilize this arrangement. A two-dimensional network parallel to (001 is formed by intermolecular O—H...O hydrogen bonds.

  9. Molecular mechanics and quantum mechanical modeling of hexane soot structure and interactions with pyrene

    Directory of Open Access Journals (Sweden)

    Kubicki JD

    2000-09-01

    Full Text Available Molecular simulations (energy minimizations and molecular dynamics of an n-hexane soot model developed by Smith and co-workers (M. S. Akhter, A. R. Chughtai and D. M. Smith, Appl. Spectrosc., 1985, 39, 143; ref. 1 were performed. The MM+ (N. L. Allinger, J. Am. Chem. Soc., 1977, 395, 157; ref. 2 and COMPASS (H. Sun, J. Phys. Chem., 1998, 102, 7338; ref. 3 force fields were tested for their ability to produce realistic soot nanoparticle structure. The interaction of pyrene with the model soot was simulated. Quantum mechanical calculations on smaller soot fragments were carried out. Starting from an initial 2D structure, energy minimizations are not able to produce the observed layering within soot with either force field. Results of molecular dynamics simulations indicate that the COMPASS force field does a reasonably accurate job of reproducing observations of soot structure. Increasing the system size from a 683 to a 2732 atom soot model does not have a significant effect on predicted structures. Neither does the addition of water molecules surrounding the soot model. Pyrene fits within the soot structure without disrupting the interlayer spacing. Polycyclic aromatic hydrocarbons (PAH, such as pyrene, may strongly partition into soot and have slow desorption kinetics because the PAH-soot bonding is similar to soot–soot interactions. Diffusion of PAH into soot micropores may allow the PAH to be irreversibly adsorbed and sequestered so that they partition slowly back into an aqueous phase causing dis-equilibrium between soil organic matter and porewater.

  10. N-(2,4-Dichlorophenyl-1,3-thiazol-2-amine

    Directory of Open Access Journals (Sweden)

    Ayesha Babar

    2012-09-01

    Full Text Available In the title molecule, C9H6Cl2N2S, the mean planes of the benzene and thiazole rings make a dihedral angle of 54.18 (8°. In the crystal, molecules are joined into dimers with an R22(8 ring motif by pairs of N—H...N hydrogen bonds. These dimers are linked by C—H...Cl interactions into layers parallel to (011. The thiazole rings form columns along the c-axis direction, with a centroid–centroid separation of 3.8581 (9 Å, indicating π–π interactions. An intramolecular C—H...S contact also occurs.

  11. Diels-Alder Synthesis of endo-cis-N-phenylbicyclo[2.2.2]oct-5-en-2,3-dicarboximide

    Science.gov (United States)

    Baar, Marsha R.; Wustholz, Kristin

    2005-01-01

    A study investigated the Diels-Alder synthesis of endo-cis-N-phenylbicyclo [2.2.2]oct-5-en-2,3-dicarboximide. The amount of time taken by a reaction between the 1,3-cyclohexadiene and N-phenylmaleimide at room temperature and also whether the desired cycloadduct would precipitate directly from the reaction mixture was examined.

  12. Construction of Eu3+ Ion-Selective Electrode Based on 1,2-Diaminopropane-N,N,N',N'-tetraacetic acid

    Directory of Open Access Journals (Sweden)

    Mohammad Reza Abedi

    2011-01-01

    Full Text Available A new Eu3+ PVC membrane electrode based on 1,2-diaminopropane-N, N,N',N'-tetraacetic acid (DAPTA as a suitable ionophore has been prepared and studied. The electrode shows a good selectivity for Eu(III ion with respect to most common cations including alkali, alkaline earth, transition and heavy metal ions. This electrode has a wide linear dynamic range from 1.0×10-6 to 1.0×10-2 M with a Nernstian slope of 19.7±0.5 mV per decade and a low detection limit of 7.2×10-7 M in the pH range of 2.5–9.1, while the response time was rapid (<10 s. The practical utility of the electrodes has been demonstratedby their use as indicator electrodes in the potentiometric titration of Eu3+ ions with EDTA and for the determination of Eu3+ in some water sample solutions.

  13. Tris(2,2′-bipyridine-κ2N,N′cobalt(III bis[bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6cobaltate(III] perchlorate dimethylformamide hemisolvate 1.3-hydrate

    Directory of Open Access Journals (Sweden)

    Irina A. Golenya

    2012-10-01

    Full Text Available In the title compound, [Co(C10H8N23][Co(C7H3NO42]2(ClO4·0.5C3H7NO·1.3H2O, the CoIII atom in the complex cation is pseudooctahedrally coordinated by six N atoms of three chelating bipyridine ligands. The CoIII atom in the complex anion is coordinated by two pyridine N atoms and four carboxylate O atoms of two doubly deprotonated pyridine-2,6-dicarboxylate ligands in a distorted octahedral geometry. One dimethylformamide solvent molecule and two water molecules are half-occupied and one water molecule is 0.3-occupied. O—H...O hydrogen bonds link the water molecules, the perchlorate anions and the complex anions. π–π interactions between the pyridine rings of the complex anions are also observed [centroid–centroid distance = 3.804 (3 Å].

  14. Stability of [MeBu3N][Tf2N] under gamma irradiation

    International Nuclear Information System (INIS)

    Bosse, E.; Berthon, L.; Zorz, N.; Monget, J.; Berthon, C.; Bisel, I.; Legand, S.; Moisy, P.

    2008-01-01

    The stability of the ionic liquid [MeBu 3 N][Tf 2 N], dry or after contact with water (where [MeBu 3 N] + is the methyl-tributyl-ammonium cation and [Tf 2 N] - is the bistriflimide anion), was studied under 137 Cs gamma irradiation in argon and in air. In a quantitative study with an absorbed dose of 2 MGy this ionic liquid was highly stable regardless of the radiolysis conditions. The radiolytic disappearance yields determined by ESI-MS were -0.38 and -0.25 μmolJ -1 for the cation and anion, respectively. ESI-MS, NMR, and liquid chromatography coupled with ESI-MS identified a large number of degradation products in very small quantities for the same dose. The cation radicals were formed by the loss of a Bu-radical group, the Me-radical group, or two H-radical atoms to form a double bond with the butyl chain. Radiolysis of the anion produced mainly F-radical and CF 3 -radicals. The anion radicals recombined with the cation to form a wide range of secondary degradation products regardless of the radiolysis conditions. (authors)

  15. Is H3N2 Pneumonia Different from Other Community-Acquired Pneumonia?

    Directory of Open Access Journals (Sweden)

    Coşkun Doğan

    2016-04-01

    Full Text Available Objective: To evaluate the clinical, laboratory, radiological, and demographic data of H3N2 pneumonia cases hospitalized to the Pulmonology Department during H3N2 pandemics and compare them with non-H3N2 community-acquired pneumonia (CAP cases. Methods: The study population consisted of all CAP cases hospitalized to our Pulmonology Department between December 2013 and February 2014 during the influenza outbreak. The patient files were evaluated for physical findings, laboratory data, radiological findings, and treatment and outcome of cases. H3N2 was diagnosed using polymerase chain reaction (PCR analysis of throat swabs. The clinical, radiological, and laboratory findings of H3N2 pneumonia cases were compared with those of non-H3N2 pneumonia cases. Mann–Whitney U test, Chi-square test, Fisher’s exact test, and logistic regression analysis by the forward step wise method were used for statistical analyses. P value0.05. The rates of treatment failure and/or transport to the intensive care unit with the need of invasive mechanical ventilation and mortality rates were also similar in both groups (p>0.05. Conclusion: H3N2 pneumonia/viral pneumonia is a member of CAP. Although the number of H3N2 cases are extremely small to draw a conclusion, the results of this study highlight that the clinical, radiological, and laboratory findings of H3N2 pneumonia cases are not different from those of non-H3N2 CAP cases.

  16. Di-μ-chlorido-bis{chlorido[(R/(S-1,5-diphenyl-3-(2-pyridyl-κN-2-pyrazoline-κN2]zinc(II}

    Directory of Open Access Journals (Sweden)

    Miquel Barceló-Oliver

    2010-08-01

    Full Text Available In the centrosymmetric binuclear title compound, [Zn2Cl4(C20H17N32], the coordination geometry of the ZnII ion can be described as a distorted ZnN2Cl3 trigonal bipyramid (τ = 0.89, arising from the N,N′-bidentate ligand, a terminal chloride ion and two bridging chloride ions. The N atoms occupy one axial and one equatorial site and the terminal chloride ion occupies an equatorial site. The dihedral angle between the pyridine and pyrazole rings is 12.8 (2°. In the crystal, aromatic π–π stacking [centroid–centroid separations = 3.812 (3 and 3.848 (3 Å] and C—H...Cl and C—H...π interactions help to establish the packing.

  17. Anti-venom potentials of Friedelin isolated from hexane extract ...

    African Journals Online (AJOL)

    ... taenicidal, cough remedy, dysentery, cancer, diabetes mellitus, tuberculosis and snake bite remedy. In this report, an attempt has been made to evaluate the bioactive molecules in the plant that are anti-venom agents. Consequently, the stem bark was exhaustively extracted with hexane and subsequently with methanol.

  18. 40 CFR 721.10193 - 1-Butanaminium, N-(3-aminopropyl)-N-butyl-N-(2-carboxyethyl)-, N-coco acyl derivs., inner salts.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 1-Butanaminium, N-(3-aminopropyl)-N...-aminopropyl)-N-butyl-N-(2-carboxyethyl)-, N-coco acyl derivs., inner salts. (a) Chemical substance and...-aminopropyl)-N-butyl-N-(2-carboxyethyl)-, N-coco acyl derivs., inner salts (PMN P-06-263, Chemical B; CAS No...

  19. Autoionisation of N5+ (nln'l') with n = 2,3,4 and n' >= n measured by electron spectrometry in collisions of N7+ with He and H2, at 4.9 keV amu-1

    International Nuclear Information System (INIS)

    Bordenave-Montesquieu, A.; Benoit-Cattin, P.; Gleizes, A.; Marrakchi, A.I.; Dousson, S.; Hitz, D.

    1984-01-01

    a spectroscopic investigation of electrons coming from autoionising states N 5+ (nln'l'), with n=2,3,4 and n' >= n, of the fast ion has been made at 11.6 0 and 4.9 keV amu -1 . Only exothermic reactions are observed. It is shown that the ionisation potential of the target has a strong influence on the more probable values of n and n'. In N 7+ -He collisions, the n=3, n'=3 configurations are the more excited. In N 7+ -H 2 , the capture process is less selective since n=3, n' > 3 and also n=4, n' >= 4 configurations are strongly populated. In all these cases, the residual N 6+ ion is left in an excited state (n=2 or 3). The n=2, n' > 2 excitation probability is found to be much smaller for the two collisional systems. (author)

  20. Solution Synthesis, Structure, and CO2 Reduction Reactivity of a Scandium(II) Complex, {Sc[N(SiMe3 )2 ]3 }.

    Science.gov (United States)

    Woen, David H; Chen, Guo P; Ziller, Joseph W; Boyle, Timothy J; Furche, Filipp; Evans, William J

    2017-02-13

    The first crystallographically characterizable complex of Sc 2+ , [Sc(NR 2 ) 3 ] - (R=SiMe 3 ), has been obtained by LnA 3 /M reactions (Ln=rare earth metal; A=anionic ligand; M=alkali metal) involving reduction of Sc(NR 2 ) 3 with K in the presence of 2.2.2-cryptand (crypt) and 18-crown-6 (18-c-6) and with Cs in the presence of crypt. Dark maroon [K(crypt)] + , [K(18-c-6)] + , and [Cs(crypt)] + salts of the [Sc(NR 2 ) 3 ] - anion are formed, respectively. The formation of this oxidation state of Sc is also indicated by the eight-line EPR spectra arising from the I=7/2 45 Sc nucleus. The Sc(NR 2 ) 3 reduction differs from Ln(NR 2 ) 3 reactions (Ln=Y and lanthanides) in that it occurs under N 2 without formation of isolable reduced dinitrogen species. [K(18-c-6)][Sc(NR 2 ) 3 ] reacts with CO 2 to produce an oxalate complex, {K 2 (18-c-6) 3 }{[(R 2 N) 3 Sc] 2 (μ-C 2 O 4 -κ 1 O:κ 1 O'')}, and a CO 2 - radical anion complex, [(R 2 N) 3 Sc(μ-OCO-κ 1 O:κ 1 O')K(18-c-6)] n . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Effect of hexane treatment and uniaxial stretching on bending ...

    African Journals Online (AJOL)

    PVDF) film was studied. The quantity, β31, defined as the bending piezoelectric stress constant, was calculated. After hexane treatment and uniaxial stretching of the PVDF film, the value of β31 was 5.75 mV/m and 8.00 mV/m for draw ratio of ...

  2. N2O Decomposition over Cu–Zn/γ–Al2O3 Catalysts

    Directory of Open Access Journals (Sweden)

    Runhu Zhang

    2016-12-01

    Full Text Available Cu–Zn/γ–Al2O3 catalysts were prepared by the impregnation method. Catalytic activity was evaluated for N2O decomposition in a fixed bed reactor. The fresh and used catalysts were characterized by several techniques such as BET surface area, X-ray diffraction (XRD, and scanning electron microscopy (SEM. The Cu–Zn/γ–Al2O3 catalysts exhibit high activity and stability for N2O decomposition in mixtures simulating real gas from adipic acid production, containing N2O, O2, NO, CO2, and CO. Over the Cu–Zn/γ–Al2O3 catalysts, 100% of N2O conversion was obtained at about 601 °C at a gas hourly space velocity (GHSV of 7200 h−1. Cu–Zn/γ–Al2O3 catalysts also exhibited considerably good durability, and no obvious activity loss was observed in the 100 h stability test. The Cu–Zn/γ–Al2O3 catalysts are promising for the abatement of this powerful greenhouse gas in the chemical industry, particularly in adipic acid production.

  3. (μ-3-Acetyl-5-carboxyl­ato-4-methyl­pyrazolido-1:2κ4 N 2,O 3:N 1,O 5)-μ-chlorido-tetra­pyridine-1κ2 N,2κ2 N-chlorido-1κCl-dicopper(II) propan-2-ol solvate

    Science.gov (United States)

    Malinkin, Sergey; Penkova, Larisa; Pavlenko, Vadim A.; Haukka, Matti; Fritsky, Igor O.

    2009-01-01

    The title compound, [Cu2(C7H6N2O3)Cl2(C5H5N)4]·C3H8O, is a binuclear pyrazolate complex, in which the two CuII atoms have different coordination numbers and are connected by a bridging Cl atom. One CuII atom has a distorted square-pyramidal coordination environment formed by two pyridine N atoms, one bridging Cl atom and an N,O-chelating pyrazolate ligand. The other CuII atom adopts an octa­hedral geometry defined by two pyridine N atoms at the axial positions, two Cl atoms and the coordinated pyrazolate ligand in the equatorial plane. An O—H⋯O hydrogen bond connects the complex mol­ecules and propan-2-ol solvent mol­ecules into pairs. These pairs form columns along the a axis. PMID:21577764

  4. Ab initio studies of O2-(H2O)n and O3-(H2O)n anionic molecular clusters, n≤12

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Kurtén, T.; Enghoff, Martin Andreas Bødker

    2011-01-01

    that anionic O2−(H2O)n and O3−(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding. Although...... clustering up to 12 H2O, we find that the O2 and O3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O2− and O3− speicies are thus accessible for further reactions. Finally, the thermodynamics of a few relevant cluster reactions are considered....

  5. Molecular characteristic and pathogenicity of Indonesian H5N1 clade 2.3.2 viruses

    Directory of Open Access Journals (Sweden)

    Dharmayanti NLPI

    2013-06-01

    Full Text Available The outbreak of disease in late 2012 in Indonesia caused high duck mortality. The agent of the disease was identified as H5N1 clade 2.3.2. The disease caused economic loss to the Indonesian duck farmer. The clade 2.3.2 of H5N1 virus has not previously been identified, so this study was conducted to characterize 4 of H5N1 clade 2.3.2 viruses by DNA sequencing in eight genes segment virus namely HA, NA, NS, M, PB1, PB2, PA and NP. The pathogenicity test of clade 2.3.2 viruses in ducks was compared to clade 2.1.3 viruses which predominat circulating in Indonesia. Results of phylogenetic tree analysis showed that the four of clade 2.3.2 viruses isolated in 2012 was the new introduced virus from abroad. Further analysis showed eight genes were in one group with the clade 2.3.2 viruses, especially those from VietNam and did not belong to Indonesia viruses group. The pathogenicity test in ducks showed that virus H5N1 clade 2.3.2 and clade 2.1.3 have similar clinical symptoms and pathogenicity and cause death in 75% of ducks on days 3-6 after infection.

  6. High-resolution n = 3 to n = 2 spectra of neonlike silver

    International Nuclear Information System (INIS)

    Beiersdorfer, P.; Bitter, M.; von Goeler, S.

    1986-01-01

    Spectra of the n = 3 to n = 2 transitions in neonlike silver emitted from the Princeton Large Torus have been recorded with a high-resolution Bragg-crystal spectrometer. The measurements cover the wavelength region 3.3--4.1 A-circle and include the forbidden 3p→2p electric quadrupole lines. Transitions in the adjacent sodiumlike, magnesiumlike, and aluminumlike charge states of silver have also been observed and identified. The Ly-α spectra of hydrogenlike argon and iron, the Kα spectra of heliumlike argon, potassium, manganese, and iron, and the Kβ spectrum of heliumlike argon fall in the same wavelength region in first or second order and have been measured concurrently. These spectra provide a coherent set of wavelength reference data obtained with the same spectrometer and from the same tokamak. This set is used as a basis to compare wavelength predictions for one- and two-electron systems to each other and to determine the transition energies of the silver lines with great accuracy

  7. Bis[tris(propane-1,3-diamine-κ2N,N′nickel(II] diaquabis(propane-1,3-diamine-κ2N,N′nickel(II hexabromide dihydrate

    Directory of Open Access Journals (Sweden)

    Aymen Yangui

    2014-06-01

    Full Text Available In the title compound, [Ni(C3H10N23]2[Ni(C3H10N22(H2O2]Br6·2H2O, one Ni2+ cation, located on an inversion centre, is coordinated by four N atoms from two ligands and by two water O atoms. The other Ni2+ cation, located in a general position, is coordinated by six N atoms from three ligands. In both cases, the Ni2+ cation has an octahedral coordination environment. The overall structural cohesion is ensured by three types of hydrogen bonds, N—H...Br, O—H...Br and O—H...O, which connect the two types of complex cations, the bromide counter-anions and the lattice water molecules into a three-dimensional network.

  8. Nitrogen-15-labeled deoxynucleosides. 3. Synthesis of [3-15N]-2'-deoxyadenosine

    International Nuclear Information System (INIS)

    Rhee, Young-Sook; Jones, R.A.

    1990-01-01

    The synthesis of [3- 15 N]-labeled adenine has been reported by several groups. Each of these syntheses followed essentially the same route, in which the 15 N is introduced by nitration of 4-bromoimidazole under forcing conditions using [ 15 N]-HNO 3 . The authors have devised an alternate route which uses an azo coupling reaction for introduction of the 15 N and proceeds through the intermediacy of [5- 15 N]-labeled 5-aminoimidazole-4-carboxamide (AICA). An unrelated route to the [5- 15 N]-labeled 5-amino-imidazole ribonucleoside (AIRs) was recently reported. AICA is a versatile precursor, which is most commonly used for entry into the guanine or isoguanine families, although it is usually used as the AICA-riboside rather than the heterocycle itself. The authors have found that AICA also can be used for the adenine family by cyclization to hypoxanthine using diethoxymethyl acetate in DMF at reflux. Although these conditions are more vigorous than those required for cyclization of 4,5-diaminopyrimidines using this reagent, the reaction works well. In addition, they report high-yield enzymatic conversion of [3- 15 N]-adenine to [3- 15 N]-2'-deoxyadenosine

  9. Atmospheric chemistry of n-CxF2x+1CHO (x = 1, 2, 3, 4)

    DEFF Research Database (Denmark)

    Hurley, M. D.; Ball, J. C.; Wallington, T. J.

    2006-01-01

    Smog chamber/FTIR techniques were used to study the atmospheric fate of n-C(x)F(2)(x)(+1)C(O) (x = 1, 2, 3, 4) radicals in 700 Torr O(2)/N(2) diluent at 298 +/- 3 K. A competition is observed between reaction with O(2) to form n-C(x)()F(2)(x)()(+1)C(O)O(2) radicals and decomposition to form n-C(x...... to the atmospheric chemistry of n-C(x)F(2)(x)(+1)C(O) radicals and their possible role in contributing to the formation of perfluorocarboxylic acids in the environment....

  10. Bi∼3.785Cd∼3.575Cu∼1.5(PO4)3.5O5.5, a new arrangement of double (n=2) and triple (n=3) [M4Bi2n-2O2n]x+ polycationic ribbons in the bismuth-transition metal oxy-phosphate series

    International Nuclear Information System (INIS)

    Colmont, Marie; Huve, Marielle; Abraham, Francis; Mentre, Olivier

    2004-01-01

    This work is dedicated to investigation of new disordered bismuth-containing oxy-phosphates compounds with an original structure type. As previously observed in this series, they are formed of [M 4 Bi 2n-2 O 2n ] x+ polycationic ribbons of width n O(Bi,M) 4 tetrahedra, surrounded by PO 4 groups. In the new crystal structure type, double (=D), triple (=T) and tunnels (=t) alternate along a common axis obeying the TtDtTtDt/TTtTTt sequence in respect to a nomenclature previously described and recalled in this work. The existence this new polymorph has first been detected by electron diffraction in a multi-phased sample. Then, the crystal structure type, i.e., the TtDtTtDt/TTtTTt sequence, has been deduced from HREM images help to a contrast-interpreting code available for these series of polycations-formed compounds. The subsequent compounds formulation leads to a number of new materials that verify the general formula: [Bi 2 (Bi,M) 4 O 4 ] 2 [Bi 4 (Bi,M) 4 O 6 ] 6 (PO 4 ) 28 M x , with x= 2+ , Cd 2+ cations. Single crystals of the nominal [O6Bi 4.57 Cd 3.43 ] 4 +8.57 [O 6 Bi 4 Cd 4 ] 2 +8 [O 4 Bi 2 Cd 3.56 Cu 0.44 ] 2 +6 (PO 4 ) 28 Cu 10.86 have been prepared in a further stage and confirms the predicted crystal structure, Bi ∼3.785 Cd ∼3.575 Cu ∼1.5 (PO 4 ) 3.5 O 5.5 , a=11.506(8)A, b=5.416(4)A, c=53.94 (4)A, β=90.10(1) o , RF=0.0835, RwF=0.0993, SG=A2/m, Z=8. As already observed for other elements of this family such as Bi ∼1.2 M ∼1.2 O 1.5 (PO 4 ), Bi ∼6.2 Cu ∼6.2 O 8 (PO 4 ) 5 or Bi ∼3 Cd ∼3.72 M ∼1.28 O 5 (PO 4 ) 3 (M=Cu, Co, Zn), this compound shows an additional example of PO 4 disorder due to the presence of mixed Bi 3+ /M 2+ sites at the edges of ribbons. The origin and consequence of this so-called disorder mostly occurring on PO 4 configurations is intensively discussed and has been characterized by infrared spectroscopy and by neutron diffraction on similar compounds. It is noticeable that the great number of antagonist PO 4

  11. Comparison of Analgesic and Hypoglycemic Effect of Hexanic and Alcohlic Extract of Fenugreek Seed in Male Diabetic Rats

    Directory of Open Access Journals (Sweden)

    Sima Nasri

    2013-04-01

    Full Text Available Background & Objectives: Diabetes mellitus is recognized with severe metabolic complications. Many herbal medicines have been recommended for treatment of diabetes. In this study, the antidiabetic and analgesic effect of hexanic and alcohlic extract Trigonella-foenum graecum was investigated in normal and streptozotocin-induced diabetic rats.  Methods: Present study was carried out in 2011 at Guilan University of Medical Sciences, 48 male Sprague Dawley rats (230-300 gr were divided into six groups: control, type 1 diabetic, and 4 treat ed groups that received intraperitonealy hexanic and alcoholic extract of fenugreek (100, 200 mg/kg body weight for 28 days. Two experimental models were used (acetic acid, and hot-plate tests in order to characterize the analgesic effect. Blood glucose was measured with glucometer. Data analyzed with spss software 16 and one way ANOVA and Tukey tests. P<0.05 was statistically significant.  Results: Compared to control rats, both of the aqueous - alcoholic and Hexan ic extract significantly reduced blood glucose level in all diabetics groups. This effect was stronger in groups that received Hexanic extract (p<0.05 . All groups received the aqueous - alcoholic and Hexan ic extract showed analgesic effect but this effect was more clear in the Hexanic 200 mg/kg group (p<0.05.  Conclusion: Fenugreek extract possesses hypoglycemic , and analgesic effects .

  12. Crystal and electronic structure of (N-CH3-2,2'-bipyridinium)(dodecahydro-dicarba-nido-undecaborate)

    International Nuclear Information System (INIS)

    Il'inchik, E.A.; Polyanskaya, T.M.; Volkov, V.V.

    2007-01-01

    The compound (N-CH 3 -2,2'-bipyridinium)(dodecahydro-dicarba-nido-undecaborate) is synthesized, and its structure is determined. The compound is characterized by IR, 11 B, 14 N NMR and X-ray photoelectron spectroscopy methods. Crystallographic data are: C 13 H 23 B 9 N 2 , M=304.62, monoclinic lattice, space group P2 1 /c, a=11.840(4), b=10.051(3), c=15.573(6) A, β=102.43(3) Deg, V=1809.8(10) A 3 , Z=4, d cal =1.118 g/cm 3 , R=0.0607 [ru

  13. Actinide-carbon bonds: insertion reactions of carbon monoxide, tert-butyl isocyanide, and tert-butyl cyanide into [(Me3Si)2N]2MCH2Si(Me)2NSiMe3

    International Nuclear Information System (INIS)

    Simpson, S.J.; Andersen, R.A.

    1981-01-01

    The thorium or uranium metallacycles [(Me 2 Si) 2 N] 2 MCH 2 Si(Me) 2 NSiMe 3 (I) react with tert-butyl cyanide to give the six-membered ring compounds [(Me 3 Si) 2 N] 2 MN = C(t-Bu)CH 2 Si(Me) 2 NSiMe 3 . The metallacycles (I) also react with the isoelectronic molecules tert-butyl isocyanide and carbon monoxide to give the unique five-membered ring compounds with exocyclic carbon-carbon double bonds, [(Me 3 Si) 2 N] 2 MXC(=CH 2 )Si(Me) 2 NSiMe 3 , where X is t-BuN or oxygen. The four-membered ring metallacycles (I) give simple coordination complexes of the type [(Me 3 Si) 2 N] 2 MCH 2 Si-(Me) 2 NSiMe 3 (N 3 SiMe 3 ) with trimethylsilyl azide

  14. N = (2,0) self-dual non-Abelian tensor multiplet in D = 3 + 3 generates N = (1,1) self-dual systems in D = 2 + 2

    Science.gov (United States)

    Nishino, Hitoshi; Rajpoot, Subhash

    2018-03-01

    We formulate an N = (2 , 0) system in D = 3 + 3 dimensions consisting of a Yang-Mills (YM)-multiplet (ˆ μ ˆ IA, λˆI), a self-dual non-Abelian tensor multiplet (ˆ μ ˆ ν ˆ IB, χˆI ,φˆI), and an extra vector multiplet (C ˆ μ ˆ IC, ρˆI). We next perform the dimensional reductions of this system into D = 2 + 2, and obtain N = (1 , 1) systems with a self-dual YM-multiplet (AIμ ,λI), a self-dual tensor multiplet (BIμν , χI , φI), and an extra vector multiplet (CIμ , ρI). In D = 2 + 2, we reach two distinct theories: 'Theory-I' and 'Theory-II'. The former has the self-dual field-strength Hμν(+)I of CIμ already presented in our recent paper, while the latter has anti-self-dual field strength Hμν(-)I. As an application, we show that Theory-II actually generates supersymmetric-KdV equations in D = 1 + 1. Our result leads to a new conclusion that the D = 3 + 3 theory with non-Abelian tensor multiplet can be a 'Grand Master Theory' for self-dual multiplet and self-dual YM-multiplet in D = 2 + 2, that in turn has been conjectured to be the 'Master Theory' for all supersymmetric integrable theories in D ≤ 3.

  15. Crystal structure of tetraaqua[2-(pyridin-2-yl-1H-imidazole-κ2N2,N3]iron(II sulfate

    Directory of Open Access Journals (Sweden)

    Zouaoui Setifi

    2015-04-01

    Full Text Available In the title compound, [Fe(C8H7N3(H2O4]SO4, the central FeII ion is octahedrally coordinated by two N atoms from the bidentate 2-(pyridin-2-yl-1H-imidazole ligand and by four O atoms of the aqua ligands. The largest deviation from the ideal octahedral geometry is reflected by the small N—Fe—N bite angle of 76.0 (1°. The Fe—N coordination bonds have markedly different lengths [2.1361 (17 and 2.243 (2 Å], with the shorter one to the pyrimidine N atom. The four Fe—O coordination bond lengths vary from 2.1191 (18 to 2.1340 (17 Å. In the crystal, the cations and anions are arranged by means of medium-strength O—H...O hydrogen bonds into layers parallel to the ab plane. Neighbouring layers further interconnect by N—H...O hydrogen bonds involving the imidazole fragment as donor group to one sulfate O atom as an acceptor. The resulting three-dimensional network is consolidated by C—H...O, C—H...π and π–π interactions.

  16. Electrochemical Reduction of N2 under Ambient Conditions for Artificial N2 Fixation and Renewable Energy Storage Using N2 /NH3 Cycle.

    Science.gov (United States)

    Bao, Di; Zhang, Qi; Meng, Fan-Lu; Zhong, Hai-Xia; Shi, Miao-Miao; Zhang, Yu; Yan, Jun-Min; Jiang, Qing; Zhang, Xin-Bo

    2017-01-01

    Using tetrahexahedral gold nanorods as a heterogeneous electrocatalyst, an electrocatalytic N 2 reduction reaction is shown to be possible at room temperature and atmospheric pressure, with a high Faradic efficiency up to 4.02% at -0.2 V vs reversible hydrogen electrode (1.648 µg h -1 cm -2 and 0.102 µg h -1 cm -2 for NH 3 and N 2 H 4 ·H 2 O, respectively). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Oxidative Addition Reactions of I2 with [HIr4(CO10-n(PPh3 n(m-PPh2] (n = 1 and 2 and Crystal and Molecular Structure of [HIr4(m-I2(CO7 (PPh3(m-PPh2

    Directory of Open Access Journals (Sweden)

    Braga Dario

    2002-01-01

    Full Text Available The reactions of the cluster compounds [HIr4(CO10-n(PPh3 n(mu-PPh2] [n = 0, (1; 1, (2 and 2, (3] with I2 have been investigated. Compound 1 does not react, however, the presence of PPh3 in place of CO ligand(s activates the cluster. Both compounds 2 and 3 react with I2 under mild conditions to give [HIr4(mu-I2(CO7(PPh3(mu-PPh 2] (4, as the result of oxidative addition of I2 and dissociation of two CO ligands, or one CO and one PPh3 ligands, respectively. The molecular structure of 4, determined by an X-ray diffraction study, exhibits a butterfly arrangement of iridium atoms with the wings spanned by a mu-PPh2 ligand, the hinge bridged by a mu-H ligand, two hinge to wing tip edges bridged by iodine atoms and all metal atoms bearing two CO ligands, with the exception of one of the hinge atoms that contains a CO and a PPh3 ligands. This cluster exhibits the shortest average Irfraction three-quartersIr bond length [2.698(2 Å] observed so far for a derivative of 1 and this is in accord with the relatively high average oxidation state of its metal atoms (+1 for a carbonyl cluster compound.

  18. Comparative study of the radiolysis and photolysis of the hexane solutions of polychlorobiphenyls

    International Nuclear Information System (INIS)

    Abdullayev, E.T.; Gurbanov, M.A.; Jamalov, P.J.

    2015-01-01

    Model solutions of polychlorobiphenyls, containing 12 congeners in hexane were irradiated by γ-rays at 14-140 kGy absorption doses, as well as by UV-rays for 2-30 minutes using middle pressure mercury lamp (PRK-4, λ=253†546 nm), and the kinetics of the radiolytic PCBs degradation processes was investigated. The PCBs identification using a Gas Chromatography (Agilent Technologies 7820A)

  19. Crystal structure of tri­chlorido­(4'-ferrocenyl-2,2':6',2''-terpyridine-[kappa]3N,N',N'')iridium(III) aceto­nitrile disolvate

    KAUST Repository

    Davaasuren, Bambar; Padhy, Harihara; Rothenberger, Alexander

    2015-01-01

    In the title compound, [FeIr(C5H5)(C20H14N3)Cl32CH3CN, the central IrIII atom is sixfold coordinated by three chloride ligands and three terpyridine N atoms in a slightly distorted octa­hedral fashion. The terpyridine ligand is functionalized

  20. Synthesis of R-(+)- and S-(-)-8-hydroxy-2-(N,N-dipropylamino)-2[2-3H]tetralin. HCl (8-OH-DPAT) a 5HT1A receptor agonist

    International Nuclear Information System (INIS)

    Ackland, M.J.; Dring, L.G.; Jones, J.R.

    1991-01-01

    The title compounds were synthesised in 7 steps from 1,7-dihydroxynaphthalene as follows: 1,7-dihydroxynaphthalene was methylated and subjected to a Birch reduction to yield 8-methoxy-2-tetralone. Reductive amination with sodium cyanoboro[ 3 H]hydride and n-propylamine gave 8-methoxy-2-(n-propylamino)-[2- 3 H]tetralin which was acylated and reduced to give (±)8-methoxy-2-(N,N-dipropylamino)-[2 3 H]tetralin. Treatment with conc.HC1 gave (±)-8-hydroxy-2-(N,N-dipropylamino)-[2- 3 H]tetralin. The racemate was then resolved by chiral mobile phase chromatography. (author)

  1. Hexaaquabis[3,5-bis(hydroxyimino-1-methyl-2,4,6-trioxocyclohexanido-κ2N3,O4]barium tetrahydrate

    Directory of Open Access Journals (Sweden)

    Nguyen Dinh Do

    2013-11-01

    Full Text Available In the title compound, [Ba(C7H5N2O52(H2O6]·4H2O, the Ba2+ cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis(hydroxyimino-1-methyl-2,4,6-trioxocyclohexanide oxo O atoms [Ba—O = 2.8715 (17 Å], two hydroxyimino N atoms [Ba—N = 3.036 (2 Å], and six water molecules [Ba—O = 2.847 (2, 2.848 (2, and 2.880 (2 Å]. The 3,5-bis(hydroxyimino-1-methyl-2,4,6-trioxocyclohexanide monoanions act in a bidentate chelating manner, coordinating through an N atom of the non-deprotonated hydroxyimino group and an O atom of the neighboring oxo group. Two lattice water molecules are located in the cavities of the framework and are involved in hydrogen bonding to O atoms of one of the coordinating water molecules and the O atom of a keto group of the ligand. As a result, a three-dimensional network is formed.

  2. Study of GaN nanorods converted from β-Ga2O3

    Science.gov (United States)

    Li, Yuewen; Xiong, Zening; Zhang, Dongdong; Xiu, Xiangqian; Liu, Duo; Wang, Shuang; Hua, Xuemei; Xie, Zili; Tao, Tao; Liu, Bin; Chen, Peng; Zhang, Rong; Zheng, Youdou

    2018-05-01

    We report here high-quality β-Ga2O3 nanorods (NRs) grown on sapphire substrates by hydrothermal method. Ammoniating the β-Ga2O3 NRs results in strain-free wurtzite gallium nitride (GaN) NRs. It was shown by XRD and Raman spectroscopy that β-Ga2O3 was partially converted to GaN/β-Ga2O3 at 1000 °C and then completely converted to GaN NRs at 1050 °C, as confirmed by high-resolution transmission electron microscopy (HRTEM). There is no band-edge emission of β-Ga2O3 in the cathodoluminescence spectrum, and only a deep-level broad emission observed at 3.68-3.73 eV. The band edge emission (3.39 eV) of GaN NRs converted from β-Ga2O3 can also be observed.

  3. Large-space cluster model calculations for the 3He(3He,2p)4He and 3H(3H,2n)4He reactions

    International Nuclear Information System (INIS)

    Csoto, Attila; Langanke, Karlheinz

    1999-01-01

    The 3 He( 3 He, 2p) 4 He and 3 H( 3 H, 2n) 4 He reactions are studied in a microscopic cluster model. We search for resonances in the 3 He+ 3 He and 4 He + p + p channels using methods that treat the two- and three-body resonance asymptotics correctly. Our results show that the existence of a low-energy resonance or virtual state, which could influence the 7 Be and 8 B solar neutrino fluxes, is rather unlikely. Our calculated 3 He( 3 He, 2p) 4 He and 3 H( 3 H, 2n) 4 He cross sections are in a good general agreement with the experimental data

  4. Rational synthesis of high nuclearity Mo/Fe/S clusters: the reductive coupling approach in the convenient synthesis of (Cl(4)-cat)(2)Mo(2)Fe(6)S(8)(PR(3))(6) [R = Et, (n)Pr, (n)Bu] and the new [(Cl(4)-cat)(2)Mo(2)Fe(2)S(3)O(PEt(3))(3)Cl]-1/2(Fe(PEt(3))(2)(MeCN)(4)) and (Cl(4)-cat)(2)Mo(2)Fe(3)S(5)(PEt(3))(5) clusters.

    Science.gov (United States)

    Han, J; Koutmos, M; Ahmad, S A; Coucouvanis, D

    2001-11-05

    A general method for the synthesis of high nuclearity Mo/Fe/S clusters is presented and involves the reductive coupling of the (Et(4)N)(2)[(Cl(4)-cat)MoOFeS(2)Cl(2)] (I) and (Et(4)N)(2)[Fe(2)S(2)Cl(4)] (II) clusters. The reaction of I and II with Fe(PR(3))(2)Cl(2) or sodium salts of noncoordinating anions such as NaPF(6) or NaBPh(4) in the presence of PR(3) (R = Et, (n)Pr, or (n)Bu) affords (Cl(4)-cat)(2)Mo(2)Fe(6)S(8)(PR(3))(6) [R = Et (IIIa), (n)Pr (IIIb), (n)Bu (IIIc)], Fe(6)S(6)(PEt(3))(4)Cl(2) (IV) and (PF(6))[Fe(6)S(8)(P(n)Pr(3))(6)] (V) as byproducts. The isolation of (Et(4)N)[Fe(PEt(3))Cl(3)] (VI), NaCl, and SPEt(3) supports a reductive coupling mechanism. Cluster IV and V also have been synthesized by the reductive self-coupling of compound II. The reductive coupling reaction between I and II by PEt(3) and NaPF(6) in a 1:1 ratio produces the (Et(4)N)(2)[(Cl(4)-cat)Mo(L)Fe(3)S(4)Cl(3)] clusters [L = MeCN (VIIa), THF (VIIb)]. The hitherto unknown [(Cl(4)-cat)(2)Mo(2)Fe(2)S(3)O(PEt(3))(3)Cl](+) cluster (VIII) has been isolated as the 2:1 salt of the (Fe(PEt(3))(2)(MeCN)(4))(2+) cation after the reductive self-coupling reaction of I in the presence of Fe(PEt(3))(2)Cl(2). Cluster VIII crystallizes in the monoclinic space group P2(1)/c with a = 11.098(3) A, b = 22.827(6) A, c = 25.855(6) A, beta = 91.680(4) degrees, and Z = 4. The formal oxidation states of metal atoms in VIII have been assigned as Mo(III), Mo(IV), Fe(II), and Fe(III) on the basis of zero-field Mössbauer spectra. The Fe(PEt(3))(2)(MeCN)(4) cation of VIII is also synthesized independently, isolated as the BPh(4)(-) salt (IX), and has been structurally characterized. The reductive coupling of compound I also affords in low yield the new (Cl(4)-cat)(2)Mo(2)Fe(3)S(5)(PEt(3))(5) cluster (X) as a byproduct. Cluster X crystallizes in the monoclinic space group P2(1)/n with a = 14.811(3) A, b = 22.188(4) A, c = 21.864(4) A, beta = 100.124(3) degrees, and Z = 4 and the structure shows very short Mo

  5. Synthesis and Biological Evaluation of N-Alkyl-3-(alkylamino-pyrazine-2-carboxamides

    Directory of Open Access Journals (Sweden)

    Lucia Semelkova

    2015-05-01

    Full Text Available A series of N-alkyl-3-(alkylaminopyrazine-2-carboxamides and their N-alkyl-3-chloropyrazine-2-carboxamide precursors were prepared. All compounds were characterized by analytical methods and tested for antimicrobial and antiviral activity. The antimycobacterial MIC values against Mycobacterium tuberculosis H37Rv of the most effective compounds, 3-(hexylamino-, 3-(heptylamino- and 3-(octylamino-N-methyl-pyrazine-2-carboxamides 14‒16, was 25 μg/mL. The compounds inhibited photosystem 2 photosynthetic electron transport (PET in spinach chloroplasts. This activity was strongly connected with the lipophilicity of the compounds. For effective PET inhibition longer alkyl chains in the 3-(alkylamino substituent in the N-alkyl-3-(alkylaminopyrazine-2-carboxamide molecule were more favourable than two shorter alkyl chains.

  6. Seroprevalence of H1N1, H3N2 and H1N2 influenza viruses in pigs in seven European countries in 2002-2003.

    Science.gov (United States)

    Van Reeth, Kristien; Brown, Ian H; Dürrwald, Ralf; Foni, Emanuela; Labarque, Geoffrey; Lenihan, Patrick; Maldonado, Jaime; Markowska-Daniel, Iwona; Pensaert, Maurice; Pospisil, Zdenek; Koch, Guus

    2008-05-01

    Avian-like H1N1 and human-like H3N2 swine influenza viruses (SIV) have been considered widespread among pigs in Western Europe since the 1980s, and a novel H1N2 reassortant with a human-like H1 emerged in the mid 1990s. This study, which was part of the EC-funded 'European Surveillance Network for Influenza in Pigs 1', aimed to determine the seroprevalence of the H1N2 virus in different European regions and to compare the relative prevalences of each SIV between regions. Laboratories from Belgium, the Czech Republic, Germany, Italy, Ireland, Poland and Spain participated in an international serosurvey. A total of 4190 sow sera from 651 farms were collected in 2002-2003 and examined in haemagglutination inhibition tests against H1N1, H3N2 and H1N2. In Belgium, Germany, Italy and Spain seroprevalence rates to each of the three SIV subtypes were high (> or =30% of the sows seropositive) to very high (> or =50%), except for a lower H1N2 seroprevalence rate in Italy (13.8%). Most sows in these countries with high pig populations had antibodies to two or three subtypes. In Ireland, the Czech Republic and Poland, where swine farming is less intensive, H1N1 was the dominant subtype (8.0-11.7% seropositives) and H1N2 and H3N2 antibodies were rare (0-4.2% seropositives). Thus, SIV of H1N1, H3N2 and H1N2 subtype are enzootic in swine producing regions of Western Europe. In Central Europe, SIV activity is low and the circulation of H3N2 and H1N2 remains to be confirmed. The evolution and epidemiology of SIV throughout Europe is being further monitored through a second 'European Surveillance Network for Influenza in Pigs'.

  7. Metabolism of Hydrocarbons in n-Alkane-Utilizing Anaerobic Bacteria.

    Science.gov (United States)

    Wilkes, Heinz; Buckel, Wolfgang; Golding, Bernard T; Rabus, Ralf

    2016-01-01

    The glycyl radical enzyme-catalyzed addition of n-alkanes to fumarate creates a C-C-bond between two concomitantly formed stereogenic carbon centers. The configurations of the two diastereoisomers of the product resulting from n-hexane activation by the n-alkane-utilizing denitrifying bacterium strain HxN1, i.e. (1-methylpentyl)succinate, were assigned as (2S,1'R) and (2R,1'R). Experiments with stereospecifically deuterated n-(2,5-2H2)hexanes revealed that exclusively the pro-S hydrogen atom is abstracted from C2 of the n-alkane by the enzyme and later transferred back to C3 of the alkylsuccinate formed. These results indicate that the alkylsuccinate-forming reaction proceeds with an inversion of configuration at the carbon atom (C2) of the n-alkane forming the new C-C-bond, and thus stereochemically resembles a SN2-type reaction. Therefore, the reaction may occur in a concerted manner, which may avoid the highly energetic hex-2-yl radical as an intermediate. The reaction is associated with a significant primary kinetic isotope effect (kH/kD ≥3) for hydrogen, indicating that the homolytic C-H-bond cleavage is involved in the first irreversible step of the reaction mechanism. The (1-methylalkyl)succinate synthases of n-alkane-utilizing anaerobic bacteria apparently have very broad substrate ranges enabling them to activate not only aliphatic but also alkyl-aromatic hydrocarbons. Thus, two denitrifiers and one sulfate reducer were shown to convert the nongrowth substrate toluene to benzylsuccinate and further to the dead-end product benzoyl-CoA. For this purpose, however, the modified β-oxidation pathway known from alkylbenzene-utilizing bacteria was not employed, but rather the pathway used for n-alkane degradation involving CoA ligation, carbon skeleton rearrangement and decarboxylation. Furthermore, various n-alkane- and alkylbenzene-utilizing denitrifiers and sulfate reducers were found to be capable of forming benzyl alcohols from diverse alkylbenzenes

  8. Electron capture into the n = 3 states of hydrogen by proton impact on CO, CO2, and N2O

    International Nuclear Information System (INIS)

    Loyd, D.H.; Dawson, H.R.

    1979-01-01

    Absolute cross sections for electron capture into the 3s, 3p, and 3d states of hydrogen have been measured for 2.2--8.2-keV proton impact on CO, CO 2 , and N 2 O. The relative magnitudes of the 3s, 3p, and 3d cross sections for CO are very similar to cross sections previously measured for elemental gases. The CO 2 and N 2 O cross sections have a very different relative distribution among the 3s, 3p, and 3d states compared to all other gases studied in this laboratory, with the 3p cross section being so small that only an estimate of the upper limit to the cross section was possible

  9. Sintering behaviour and phase relationships of Si[sub 3]N[sub 4] ceramics in the Si[sub 3]N[sub 4]-SiO[sub 2]-MgO-Y[sub 2]O[sub 3] system. Sinterverhalten und Phasenbeziehungen von Si[sub 3]N[sub 4]-Keramiken im System Si[sub 3]N[sub 4]-SiO[sub 2]-MgO-Y[sub 2]O[sub 3

    Energy Technology Data Exchange (ETDEWEB)

    Mahoney, F.M.

    1992-10-12

    The aim of this work is the investigation of the sintering or crystallisation behaviour of Si[sub 3]N[sub 4] ceramics depending on the additive composition in the Si[sub 3]N[sub 4]-SiO[sub 2]-MgO-Y[sub 2]O[sub 3] system. With regard to the complicated manufacturing process of sintered and heat-treated Si[sub 3]N[sub 4] ceramics, one should first determine which additive compositions make complete compression possible. The effect of the composition on the volume and the viscosity of the melting phase should be cleared up, where determining the Si[sub 3]N[sub 4] solubility relative to the additive composition is of special importance. The phase relationships between Si[sub 3]N[sub 4] and the possible crystalline secondary phases should be determined for the crystallisation behaviour. Due to the very fine distribution of only a 5-15% proportion of additive in conventional Si[sub 3]N[sub 4] samples, a characterisation of the secondary phases is difficult to carry out with X-ray or REM/EDX analysis. Therefore, experiments with oxy-nitridic model samples were carried out in this work, which have the same phase relationships as conventional Si[sub 3]N[sub 4] compositions, but with an appreciably higher proportion of additive. The possibility of transferring the results of the model samples were tested on examples of three Si[sub 3]N[sub 4] ceramics. (orig.)

  10. New family of lanthanide-based inorganic-organic hybrid frameworks: Ln2(OH)4[O3S(CH2)nSO32H2O (Ln = La, Ce, Pr, Nd, Sm; n = 3, 4) and their derivatives.

    Science.gov (United States)

    Liang, Jianbo; Ma, Renzhi; Ebina, Yasuo; Geng, Fengxia; Sasaki, Takayoshi

    2013-02-18

    We report the synthesis and structure characterization of a new family of lanthanide-based inorganic-organic hybrid frameworks, Ln(2)(OH)(4)[O(3)S(CH(2))(n)SO(3)]·2H(2)O (Ln = La, Ce, Pr, Nd, Sm; n = 3, 4), and their oxide derivatives. Highly crystallized samples were synthesized by homogeneous precipitation of Ln(3+) ions from a solution containing α,ω-organodisulfonate salts promoted by slow hydrolysis of hexamethylenetetramine. The crystal structure solved from powder X-ray diffraction data revealed that this material comprises two-dimensional cationic lanthanide hydroxide {[Ln(OH)(2)(H(2)O)](+)}(∞) layers, which are cross-linked by α,ω-organodisulfonate ligands into a three-dimensional pillared framework. This hybrid framework can be regarded as a derivative of UCl(3)-type Ln(OH)(3) involving penetration of organic chains into two {LnO(9)} polyhedra. Substitutional modification of the lanthanide coordination promotes a 2D arrangement of the {LnO(9)} polyhedra. A new hybrid oxide, Ln(2)O(2)[O(3)S(CH(2))(n)SO(3)], which is supposed to consist of alternating {[Ln(2)O(2)](2+)}(∞) layers and α,ω-organodisulfonate ligands, can be derived from the hydroxide form upon dehydration/dehydroxylation. These hybrid frameworks provide new opportunities to engineer the interlayer chemistry of layered structures and achieve advanced functionalities coupled with the advantages of lanthanide elements.

  11. A two-dimensional CdII coordination polymer: poly[diaqua[μ3-5,6-bis(pyridin-2-ylpyrazine-2,3-dicarboxylato-κ5O2:O3:O3,N4,N5]cadmium

    Directory of Open Access Journals (Sweden)

    Monserrat Alfonso

    2016-09-01

    Full Text Available The reaction of 5,6-bis(pyridin-2-ylpyrazine-2,3-dicarboxylic acid with cadmium dichloride leads to the formation of the title two-dimensional coordination polymer, [Cd(C16H8N4O4(H2O2]n. The metal atom is sevenfold coordinated by one pyrazine and one pyridine N atom, two water O atoms, and by two carboxylate O atoms, one of which bridges two CdII atoms to form a Cd2O2 unit situated about a centre of inversion. Hence, the ligand coordinates to the cadmium atom in an N,N′,O-tridentate and an O-monodentate manner. Within the polymer network, there are a number of O—H...O hydrogen bonds present, involving the water molecules and the carboxylate O atoms. There are also C—H...N and C—H...O hydrogen bonds present. In the crystal, the polymer networks lie parallel to the bc plane. They are aligned back-to-back along the a axis with the non-coordinating pyridine rings directed into the space between the networks.

  12. Betaine Phosphate (CH3)3N+CH2COO-.H3PO4 Modification Using D2O

    International Nuclear Information System (INIS)

    Saryati; Ridwan; Deswita; Sugiantoro, Sugik

    2002-01-01

    Betaine fosfate (CH 3 ) 3 N + CH 2 COO - .H 3 PO 4 modification by using D 2 O has been studied. This modification was carried out by slowly evaporation the saturated Betaine phosphat in the D 2 O solution in the dry box at 40 o C, until the dry crystal were formed. Based on the NMR data, can be concluded that the exchange process with D has been runed well and Betaine phosphate-D (CH 3 ) 3 N + CH 2 COO - .H 3 PO 4 has been resulted. From the X-ray diffraction pattern data can be concluded that there are a deference in the crystal structure between Betaine phosphate and Betaine phosphate modification result. From the Differential Scanning Colorimeter (DSC) diagram at the range temperature from 30 o C to 250 o C, can be shown that the Betaine phosphate-H has two endothermic transition phase, at 99 o C with a very little adsorbed calor and at 221.50 o C with -26.75 cal/g. Modified Betaine phosphate has also two endothermic transition phase, at 99.86 o C with -1.94 cal/g and at 171.01 o C with -3.48 cal/g. It can be conclosed that the D atom substitution on the H atoms in Betaine phosphate, to change the crystal and the endothermic fase temperature and energy

  13. Gastro-protective effect of crude hexane leaf extract of Sesamum ...

    African Journals Online (AJOL)

    The gastroprotective effect of the hexane extract of the leaves of Sesamum indicum (HESI) was investigated in twenty-eight male rabbits. Gastroprotective activity against necrotizing agent induced ulceration was studied. Gastric wall mucus was determined by standard methods. Anti-secretory activity was determined in ...

  14. Massless fermions coupled to N-pseudoparticle field: isospin 3/2

    International Nuclear Information System (INIS)

    Viswanathan, K.S.; Yee, J.H.

    1978-01-01

    Adapting the spinorial formalism of Jackiw and Rebbi, we treat the problem of masslss fermions of isospin 3/2 in an N-pseudoparticle field. The Atiyah-Singer index theorem, applied to this problem, indicates the existence of 10N zero energy normalizable solutions. 3N solutions are explicitly constructed. The remaining 7N solutions are reduced to quadratures. We demonstrate the regularity and normalizability of these solutions. (author)

  15. EM study of crystallography and phase relationships in the Be/sub 3/N/sub 2/--BeSiN/sub 2/ system

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, T.M.

    1977-12-01

    Transmission electron microscopy and diffraction have been used to examine structural aspects of phases along the BeSiN/sub 2/-Be/sub 3/N/sub 2/ tie line of the Be-Si-O-N system. Electron diffraction experiments are found to substantiate previous x-ray evidence for the derived structures of BeSiN/sub 2/, ..beta.. Be/sub 3/N/sub 2/, ..cap alpha.. Be/sub 3/N/sub 2/ and the presence of a number of long period superstructures at intermediate compositions. Real space observations using direct fringe and structure imaging techniques have been made and are in agreement with the 15R polytype structure derived from x-ray diffraction data. In addition, these observations indicate that beryllium atoms are preferentially sited in cubic stacked layers, allowing the polytype structures to be described as a coherent intergrowth of layers of the BeSiN/sub 2/ and ..beta.. Be/sub 3/N/sub 2/ structure. Further observations made on a non stoichiometric BeSiN/sub 2/ sample suggests that alternatively the polytypes may be described in terms of a regularly faulted BeSiN/sub 2/ structure. Each fault changes the coordination of tetrahedral sites from base sharing to edge sharing in the fault, allowing excess beryllium atoms to be accommodated in the close packed nitrogen lattice. For larger deviations from the BeSiN/sub 2/ stoichiometric composition a higher density of faults occur which interact to form ordered arrangements and the observed polytype structures. The present observations establish that polytypism in the Be-Si-N system is related to the general phenomenon of crystallographic shear as observed in other complex oxide and ceramic systems. It is suggested that similar faulting may account for the polytype structures in other Sialon systems.

  16. Diffraction study on the nonstoichiometric α-U2N3+x phase

    International Nuclear Information System (INIS)

    Serizawa, H.; Fukuda, K.; Ishii, Y.; Funahashi, S.; Katsura, M.

    1993-01-01

    X-ray and neutron diffraction studies were performed on nonstoichiometric α-U 2 N 3+ x having a composition range 1.68 2 N 3+x in this composition range was distorted Mn 2 O 3 -type. Structure parameters of U and N atoms were determined. The results showed that positions of U atoms varied continuously with nitrogen content. No evidence of the modification from bcc to fcc could be obtained. Interatomic distances of U-U and U-N were determined. The position parameter of N atoms showed that N atoms were slightly deviated from the tetrahedral site. (author)

  17. Separating 2,3-butanediol from fermentation broth using n-butylaldehyde

    Directory of Open Access Journals (Sweden)

    Yanjun Li

    2016-09-01

    Full Text Available In this paper, a complete separation process for 2,3-butanediol fermentation broth has been developed using reactive-extraction and reactive-distillation. n-Butylaldehyde can be used as both reactant and extractant in the process. Equilibrium and kinetics were studied on the reaction between 2,3-butanediol and n-butylaldehyde using different catalysts. Pseudo-Homogeneous model was used to describe the reaction behavior. The kinetic parameters were determined by analyzing experimental data. The results revealed that the reaction enthalpy ΔrH0 = −21.58 ± 1.63 kJ mol−1. The reaction rate was found to increase with increasing reaction temperature and had a linear correlation with catalyst amount. The activity energy for H2SO4 system and HCl system was 57.52 ± 5.35 and 58.14 ± 5.06 kJ mol−1, respectively. Feasible operation conditions have been obtained as follows: volume ratio of n-butylaldehyde to fermentation broth is 0.2; feed molar ratio of water and 2-propyl-4,5-dimethyl-1,3-dioxolane (n-butylaldehyde 2,3-butanediol acetal for hydrolysis is 3.0; theoretical plate number for reactive-distillation column is 10 with concentration of HCl solution of 0.5 mol/L. With the above conditions, more than 90% of 2,3-butanediol can be recovered from fermentation broth by reactive-extraction process and the purity of final product can be over 99%.

  18. Epitaxial growth of mixed conducting layered Ruddlesden–Popper La{sub n+1}Ni{sub n}O{sub 3n+1} (n = 1, 2 and 3) phases by pulsed laser deposition

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Kuan-Ting; Soh, Yeong-Ah; Skinner, Stephen J., E-mail: s.skinner@imperial.ac.uk

    2013-10-15

    Graphical abstract: - Highlights: • High quality epitaxial thin films of layered Ruddlesden–Popper nickelates were prepared. • For the first time this has been achieved by the PLD process. • n = 1, 2 and 3 films were successfully deposited on SrTiO{sub 3} and NdGaO{sub 3} substrates. • c-Axis oriented films were confirmed by XRD analysis. • In-plane and out-of-plane strain effects on lattice are discussed. - Abstract: Layered Ruddlesden–Popper phases of composition La{sub n+1}Ni{sub n}O{sub 3n+1} (n = 1, 2 and 3) have been epitaxially grown on SrTiO{sub 3} (0 0 1) or NdGaO{sub 3} (1 1 0) single crystal substrates using the pulsed laser deposition technique. X-ray diffraction analyses (θ/2θ, rocking curves, and φ-scans) and atomic force microscopy confirms the high-quality growth of the series of films with low surface roughness values (less than 1 nm). In particular, epitaxial growth of the higher order phases (n = 2 and 3) of lanthanum nickelate have been demonstrated for the first time.

  19. (E-4-Bromo-N-(2,3-dimethoxybenzylideneaniline

    Directory of Open Access Journals (Sweden)

    Karla Fejfarová

    2010-09-01

    Full Text Available The title Schiff base compound, C15H14BrNO2, was prepared by the condensation of 2,3-dimethoxybenzaldehyde with 4-bromoaniline. It adopts an E configuration with respect to the C=N bond. The dihedral angle between the two aromatic rings is 56.79 (8°. Weak C—H...O and C—-H...π bonds can be found in the crystal structure.

  20. Poly[[diaqua-μ4-pyrazine-2,3-dicarboxylato-κ6N,O2:O2′:O3,O3′:O3-strontium(II] monohydrate

    Directory of Open Access Journals (Sweden)

    Vahid Amani

    2008-07-01

    Full Text Available In the title compound, {[Sr(C6H2N2O4(H2O2]·H2O}n, the SrII ions are bridged by the pyrazine-2,3-dicarboxylate ligands with the formation of two-dimensional polymeric layers parallel to the ac plane. Each SrII ion is eight-coordinated by one N and five O atoms from the four ligands and two water molecules. The coordination polyhedron is derived from a pentagonal bipyramid with an O atom at the apex on one side of the equatorial plane and two O atoms sharing the apical site on the other side. The coordinated and uncoordinated water molecules are involved in O—H...O and O—H...N hydrogen bonds, which consolidate the crystal structure.

  1. On the lefetime of N2C3πμ state

    International Nuclear Information System (INIS)

    Gallas, J.A.C.

    1980-01-01

    The radiative lifetime of the N 2 C 3 πsub(u) electronic state and the absolute transition probabilities for the N 2 C 3 πsub(u)-B 3 πsub(g) system have been calculated by assuming Morse potentials for the involved electronic states and then evaluating the resulting integrals analytically. The lifetimes are computed using several electronic transition moment functions given in the literature and comparisons are made. The present method of calculation does not involve the usual anti r-centroid approximation, however it is found that, for the N 2 C 3 πsub(u)-B 3 πsub(g) system studied here, this approximation gives very good results. (Author) [pt

  2. μ-Acetato-κ2O:O′-[7,23-dibenzyl-15,31-dichloro-3,7,11,19,23,27-hexaazatricyclo[27.3.1.113,17]tetratriconta-1(32,2,11,13,15,17(34,18,27,29(33,30-decaene-33,34-diolato-κ10N4,N5,N6,O1,O2:N1,N2,N3,O1,O2]dinickel(II perchlorate acetonitrile disolvate

    Directory of Open Access Journals (Sweden)

    Juan Kong

    2008-01-01

    Full Text Available The title complex, [Ni2(C42H46Cl2N6O2(C2H3O2]ClO4·2CH3CN, was synthesized by condensation of 2,6-diformyl-4-chlorophenol with N,N-bis(aminopropylbenzylamine in the presence of NiII ions. The ligand is a 28-membered macrocycle with two identical pendant arms. The coordination geometries of the Ni atoms are both octahedral. The two Ni atoms are bridged by two phenolate O atoms of the macrocyclic ligand and one acetate ligand, with an Ni...Ni distance of 3.147 (4 Å.

  3. On the structural phase transitions of the perovskite-type layer structures (Csub(n)Hsub(2n+1)NH3)2MeCl4

    International Nuclear Information System (INIS)

    Heger, G.

    1978-01-01

    The perovskite-type layer compounds (Csub(n)Hsub(2n+1)NH 3 ) 2 MeCl 4 show a variety of different structural modifications. They differ from oneanother by the order and dynamical behaviour of the CH 3 -CH 2 -...-CH 2 -NH 3 chain molecules and the [MeCl 6 ] octahedra layers. These two structural members are coupled together by N-H...Cl hydrogen bonds. According to group theoretical relations the modifications of (Csub(n)Hsub(2n+1)NH 3 ) 2 MeCl 4 were ordered in the scheme of a 'family tree'. Taking (CH 3 NH 3 ) 2 MnCl 4 as an example, various experimental investigations incorporated neutron diffraction are reported. They lead to a sequence of phase transitions. For these phase transitions a model is developed based on the orientations of the CH 3 NH 3 dump-bell molecules and their interactions with the [MnCl 6 ] layers. (orig./HPOE) [de

  4. Atmospheric Chemistry of (CF3)2CF-C≡N

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Kyte, Mildrid; Thirstrup Andersen, Simone

    2017-01-01

    FTIR/smog chamber experiments and ab initio quantum calculations were performed to investigate the atmospheric chemistry of (CF3)2CFCN, a proposed replacement compound for the industrially important sulfur hexafluoride, SF6. The present study determined k(Cl + (CF3)2CFCN) = (2.33 ± 0.87) × 10–17, k......(OH + (CF3)2CFCN) = (1.45 ± 0.25) × 10–15, and k(O3 + (CF3)2CFCN) ≤ 6 × 10–24 cm3 molecule–1 s–1, respectively, in 700 Torr of N2 or air diluent at 296 ± 2 K. The main atmospheric sink for (CF3)2CFCN was determined to be reaction with OH radicals. Quantum chemistry calculations, supported by experimental...

  5. Magnetic properties of Aurivillius lanthanide-bismuth (LnFeO3nBi4Ti3O12 (n = 1,2 layered titanates

    Directory of Open Access Journals (Sweden)

    Tartaj, J.

    2008-06-01

    Full Text Available Bismuth titanates of Aurivillius layer-structure (BiFeO3nBi4Ti3O12, are of great technological interest because of their applications as non-volatile ferroelectric memories and high-temperature piezoelectric materials. The synthesis and crystallographic characterization of a new family of compounds (LnFeO3nBi4Ti3O12 was recently reported, in which the layers consist of LnFeO3 perovskites with a lanthanide Ln3+ substituting diamagnetic Bi3+. We report herein the magnetic properties of bulk samples, with Ln = Nd, Eu, Gd and Tb, and n = 1 and 2. Single-layer materials are paramagnetic, similar to non-substituted bismuth titanate Bi5FeTi3O15, and show crystal field effects due to the crystallographic environment of Eu3+ and Tb3+. Several anomalies are detected in the magnetization M(T of double-layer (LnFeO32Bi4Ti3O12 compounds, related to the strong magnetism of Tb and Gd, since they weakly appear for Nd and they are absent in the VanVleck Eu3+ ion and in the parent Bi6Fe2Ti3O18 compound.Los titanatos de hierro y bismuto con estructura laminar tipo Aurivillius, (BiFeO3nBi4Ti3O12, tienen un gran interés tecnológico debido a sus aplicaciones como memorias ferroeléctricas no volátiles y como piezoeléctrico cerámico de alta temperatura. La síntesis y la caracterización cristalina de una nueva familia de compuestos (LnFeO3nBi4Ti3O12 han sido recientemente reportadas, en la que el catión diamagnético Bi3+ ha sido sustituido por los paramagnéticos Ln3+ en los bloques de perovskita. Se estudian las propiedades magnéticas de muestras cerámicas en volumen con Ln = Nd, Eu, Gd y Tb, y n = 1 y 2. Los materiales con n=1 son paramagnéticos y similares al no sustituido Bi5FeTi3O15, y muestran efectos de campo cristalino debido al entorno cristalino de Eu3+ y Tb3+. Se han detectado algunas anomalías en la magnetización M(T de los compuestos n=2 (LnFeO32Bi4Ti3O12 que están relacionadas con el fuerte magnetismo de Tb y Gd, que aparecen d

  6. Crystal structure of tetrakis[μ2-2-(dimethylaminoethanolato-κ3N,O:O]di-μ3-hydroxido-dithiocyanato-κ2N-dichromium(IIIdilead(II dithiocyanate acetonitrile monosolvate

    Directory of Open Access Journals (Sweden)

    Julia A. Rusanova

    2016-04-01

    Full Text Available The tetranuclear complex cation of the title compound, [Cr2Pb2(NCS2(OH2(C4H10NO4](SCN2·CH3CN, lies on an inversion centre. The main structural feature of the cation is a distorted seco-norcubane Pb2Cr2O6 cage with a central four-membered Cr2O2 ring. The CrIII ion is coordinated in a distorted octahedron, which involves two N atoms of one bidentate ligand and one thiocyanate anion, two μ2-O atoms of 2-(dimethylaminoethanolate ligands and two μ3-O atoms of hydroxide ions. The coordination geometry of the PbII ion is a distorted disphenoid, which involves one N atom, two μ2-O atoms and one μ3-O atom. In addition, weak Pb...S interactions involving the coordinating and non-coordinating thiocyanate anions are observed. In the crystal, the complex cations are linked through the thiocyanate anions via the Pb...S interactions and O—H...N hydrogen bonds into chains along the c axis. The chains are further linked together via S...S contacts. The contribution of the disordered solvent acetonitrile molecule was removed with the SQUEEZE [Spek (2015. Acta Cryst. C71, 9–18] procedure in PLATON. The solvent is included in the reported molecular formula, weight and density.

  7. XPS-UPS, ISS characterization studies and the effect of Pt and K addition on the catalytic properties of MoO2-x(OH)y deposited on TiO2

    International Nuclear Information System (INIS)

    Al-Kandari, H.; Mohamed, A.M.; Al-Kharafi, F.; Katrib, A.

    2011-01-01

    Highlights: → Surface electronic structure-catalytic activity correlation is presented in this research work. → In situ characterization by XPS-UPS and ISS techniques were employed at the same experimental conditions applied for catalytic reactions. → Catalytic reactions of Mo deposited on titanium oxide for the isomerization and hydrogenation reactions using 1-hexene and n-hexane were studied. → The bifunctional properties of the molybdenum dioxide phase were modified by the addition of potassium. - Abstract: Characterization by XPS-UPS, ISS surface techniques of MoO 3 /TiO 2 catalysts before and after addition of Pt (PtMo) 2.5% by weight of MoO 3 and potassium (KMo) enabled to identify different chemical species present on the outermost surface layer at different reduction temperatures. Catalytic activities of these systems using 1-hexene and n-hexane reactants were studied. Correlation between catalytic activity and surface electronic structure enabled us to identify the chemical species, active site(s), responsible for specific catalytic reaction(s).

  8. Superior activity of non-interacting close acidic protons in Al-rich Pt/H-*BEA zeolite in isomerization of n-hexane

    Czech Academy of Sciences Publication Activity Database

    Sazama, Petr; Kaucký, Dalibor; Morávková, Jaroslava; Pilař, Radim; Klein, Petr; Pastvová, Jana; Tabor, Edyta; Sklenák, Štěpán; Jakubec, Ivo; Mokrzycki, Lukasz

    2017-01-01

    Roč. 533, MAR 2017 (2017), s. 28-37 ISSN 0926-860X R&D Projects: GA ČR GA15-12113S; GA MŠk(CZ) LM2015073 Institutional support: RVO:61388955 ; RVO:61388980 Keywords : Isomerization * Alkanes Hexane * Zeolites * Al-rich beta (*BEA) * Mordenite Subject RIV: CF - Physical ; Theoretical Chemistry; CA - Inorganic Chemistry (UACH-T) OBOR OECD: Physical chemistry; Inorganic and nuclear chemistry (UACH-T) Impact factor: 4.339, year: 2016

  9. 3Y-TZP/Si2N2O composite obtained by pressureless sintering

    International Nuclear Information System (INIS)

    Santos, Carlos Augusto Xavier

    2006-01-01

    Zirconia 3YTZP presents excellent properties at room temperature. These properties decrease as the temperature increases because high temperature acts negatively over the stress induced transformation toughening in the matrix. The addition of Si 3 N 4 and SiC in a Y-TZP matrix is very interesting because leads to formation of silicon oxynitride and it increases the mechanical properties like toughness and hardness. Certainly the mechanical properties increment is limited by several difficulties which have appeared during processing and heating of these materials. This paper studies the Y-TZP/Si 2 N 2 0 pressureless sintered composite, under different temperatures, showing the behavior of 20 vol %Si 3 N 4 -SiC when added in YTZP matrix and heated under no pressure system. Al 2 O 3 and Y 2 O 3 were used as sintering aids. The mixture was milled and molded by cold isostatic pressure. Samples were heated at 1500 deg, 1600 deg and 17000 deg C x 2h without pressure under atmospheric conditions using Si 3 N 4 bed-powder. Samples were characterized by XRD and density, hardness, toughness, bending strength were measured. The structure of the material was observed in SEMITEM/EPMA to verify the distribution and composition of the materials in the composite and the contact between filler surface and the matrix. The formation of SiON 2 was observed in the sintered material due to reaction between both nitride and carbide with Y - TZP matrix. Furthermore the material showed an increment of both hardness and toughness as temperature increases. The samples presented considerable resistance to oxidation below 1000 deg C. (author)

  10. Crystal structure of 2-hydroxy-N-(2-hydroxyethyl-N-{2-hydroxy-3-[(E-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate

    Directory of Open Access Journals (Sweden)

    Gary S. Nichol

    2015-03-01

    Full Text Available The structure of the title hydrated molecular salt, C14H23N2O4+·C2H3O2−·H2O, was determined as part of a wider study on the use of the molecule as a polydentate ligand in the synthesis of MnIII clusters with magnetic properties. The cation features intramolecular O—H...N and N—H...O hydrogen-bond interactions. The crystal structure features a range of intermolecular hydrogen-bonding interactions, principally O—H...O interactions between all three species in the asymmetric unit. An R24(8 graph-set hydrogen-bonding motif between the anion and water molecules serves as a unit which links to the cation via the diethanolamine group. Each O atom of the acetate anion accepts two hydrogen bonds.

  11. Evaluation of Cross-Section Data from Threshold to 40 MeV for some Neutron Reactions Important for Fusion Dosimetry Applications. Part 2 Evaluation of the Excitation Functions for the 59Co(n,3n)57Co, 89Y(n,2n)88Y, 93Nb(n,2n)92mNb, 169Tm(n,2n)168Tm and 209Bi(n,3n)207Bi Reactions

    International Nuclear Information System (INIS)

    Zolotarev, K.I.

    2010-11-01

    Evaluations of cross sections and their associated covariance matrices have been carried out for five dosimetry reactions: excitation functions were re-evaluated for the 89 Y(n,2n) 88 Y, 93 Nb(n,2n) 92 mNb and 169 Tm(n,2n) 168 Tm reactions over the neutron energy range from threshold up to 40 MeV; excitation functions were re-evaluated for the 59 Co(n,3n) 57 Co and 209 Bi(n,3n) 207 Bi reactions over the neutron energy range from threshold to 85 and 45 MeV, respectively. Uncertainties in the cross sections for all of those reactions were also derived in the form of relative covariance matrices. Benchmark calculations performed for 235 U thermal fission and 252 Cf spontaneous fission neutron spectra show that the integral cross sections calculated from the newly evaluated excitation functions exhibit improved agreement with related experimental data when compared with the equivalent data from the IRDF-2002 library. (author)

  12. Fluorocarbon based atomic layer etching of Si_3N_4 and etching selectivity of SiO_2 over Si_3N_4

    International Nuclear Information System (INIS)

    Li, Chen; Metzler, Dominik; Oehrlein, Gottlieb S.; Lai, Chiukin Steven; Hudson, Eric A.

    2016-01-01

    Angstrom-level plasma etching precision is required for semiconductor manufacturing of sub-10 nm critical dimension features. Atomic layer etching (ALE), achieved by a series of self-limited cycles, can precisely control etching depths by limiting the amount of chemical reactant available at the surface. Recently, SiO_2 ALE has been achieved by deposition of a thin (several Angstroms) reactive fluorocarbon (FC) layer on the material surface using controlled FC precursor flow and subsequent low energy Ar"+ ion bombardment in a cyclic fashion. Low energy ion bombardment is used to remove the FC layer along with a limited amount of SiO_2 from the surface. In the present article, the authors describe controlled etching of Si_3N_4 and SiO_2 layers of one to several Angstroms using this cyclic ALE approach. Si_3N_4 etching and etching selectivity of SiO_2 over Si_3N_4 were studied and evaluated with regard to the dependence on maximum ion energy, etching step length (ESL), FC surface coverage, and precursor selection. Surface chemistries of Si_3N_4 were investigated by x-ray photoelectron spectroscopy (XPS) after vacuum transfer at each stage of the ALE process. Since Si_3N_4 has a lower physical sputtering energy threshold than SiO_2, Si_3N_4 physical sputtering can take place after removal of chemical etchant at the end of each cycle for relatively high ion energies. Si_3N_4 to SiO_2 ALE etching selectivity was observed for these FC depleted conditions. By optimization of the ALE process parameters, e.g., low ion energies, short ESLs, and/or high FC film deposition per cycle, highly selective SiO_2 to Si_3N_4 etching can be achieved for FC accumulation conditions, where FC can be selectively accumulated on Si_3N_4 surfaces. This highly selective etching is explained by a lower carbon consumption of Si_3N_4 as compared to SiO_2. The comparison of C_4F_8 and CHF_3 only showed a difference in etching selectivity for FC depleted conditions. For FC accumulation conditions

  13. The long chain of the n-hexane fraction of water hyacinth (eichhornia crassipes): extrction, estimation, GC-MS analysis and antimicrobial activity

    International Nuclear Information System (INIS)

    Hussain, Z.; Khan, K.M.

    2015-01-01

    Oily fraction was extracted from the water hyacinth (Eichhornia crassipes) using n-hexane by both cold and hot extraction in 5.5 ± 0.05% and 9.30 ± 0.05%, respectively, however, no difference was found in the nature of the compounds extracted by the two processes. The analysis of this oil was carried out using GC-FID and GC-MS in separate experiments and the nature of the compounds was investigated by library matching of the spectra obtained through GC-MS. This extract was found to contain 33.267% of the nonadecan-4-ol and 20.51% of a long chain ketone in addition to various quantities of the long chain nitrogenous compounds. The antibacterial activity of the extract was investigated against eight pathogenic bacteria and fungus Candida albican using disc diffusion method. The extract was found to be highly active against all tested bacterial strains except S. typhi. For most of the strains the activity of the extract was near the reference. Ciprofloxacin, clotrimazole and erythromycin were used as reference antibiotics. (author)

  14. Quasirecognition by prime graph of finite simple groups ${}^2D_n(3$

    Directory of Open Access Journals (Sweden)

    Behrooz Khosravi

    2014-12-01

    Full Text Available Let $G$ be a finite group. In [Ghasemabadi et al., characterizations of the simple group ${}^2D_n(3$ by prime graph and spectrum, Monatsh Math., 2011] it is proved that if $n$ is odd, then ${}^2D _n(3$ is recognizable by prime graph and also by element orders. In this paper we prove that if $n$ is even, then $D={}^2D_{n}(3$ is quasirecognizable by prime graph, i.e. every finite group $G$ with $Gamma(G=Gamma(D$ has a unique nonabelian composition factor and this factor is isomorphic to $D$.

  15. Heterojunction p-Cu2O/n-Ga2O3 diode with high breakdown voltage

    Science.gov (United States)

    Watahiki, Tatsuro; Yuda, Yohei; Furukawa, Akihiko; Yamamuka, Mikio; Takiguchi, Yuki; Miyajima, Shinsuke

    2017-11-01

    Heterojunction p-Cu2O/n-β-Ga2O3 diodes were fabricated on an epitaxially grown β-Ga2O3(001) layer. The reverse breakdown voltage of these p-n diodes reached 1.49 kV with a specific on-resistance of 8.2 mΩ cm2. The leakage current of the p-n diodes was lower than that of the Schottky barrier diode due to the higher barrier height against the electron. The ideality factor of the p-n diode was 1.31. It indicated that some portion of the recombination current at the interface contributed to the forward current, but the diffusion current was the dominant. The forward current more than 100 A/cm2 indicated the lower conduction band offset at the hetero-interface between Cu2O and Ga2O3 layers than that predicted from the bulk properties, resulting in such a high forward current without limitation. These results open the possibility of advanced device structures for wide bandgap Ga2O3 to achieve higher breakdown voltage and lower on-resistance.

  16. Synthesis, resolution and radioiodination of S(-)trans-5-hydroxy-2-[N-n-propyl-N-(3'-iodo-2'-propenyl)amino]tet ralin-S(-)trans-5-OH-PIPAT: a new dopamine D2-like receptor ligand

    International Nuclear Information System (INIS)

    Chumpradit, Sumalee; Meiping Kung; Vessotskie, Janet; Kung, H.F.

    1995-01-01

    A new dopamine D2-like receptor ligand, (R,S)trans-5-hydroxy-2-[N-n0propyl-N-(3'-iodo-2'-propeny)amino]tet ralin ((R,S)trans-5-OH-PIPAT,3), based on high affinity dopamine receptor agonist 5-hydroxy-2-[N,N-(di-n-propyl)-2-amino]tetralin (5-OH-DPAT,1), was prepared. The synthesis was achieved by a reductive amination of 5-methoxy-2-tetralone with n-propylamine, followed by N-alkylation, to afford 5-methoxy-N-propyl-N-2'-aminotetralin,7. Reduction of 7 with tributyltin hydride gave the tri-n-butyl tin derivative,8, which was converted to 9 by an iododemetalation reaction. Demethylation of 9 gave the desired compound, (R,S)trans-5-OH-PIPAT,3. The resolved (R) and (S)trans-5-OH-PIPAT,3 were also quantitatively prepared. (author)

  17. Temperature Dependence of the Inhibition of Positronium by Chlorine- Substituted Hydrocarbons in Non-Polar Liquids

    DEFF Research Database (Denmark)

    Wikander, G.; Mogensen, O.E.; Pedersen, Niels Jørgen

    1984-01-01

    Positron annihilation lifetime spectra were measured for solutions of 1,2,3,5-C6H2Cl4 in hexane, toluene, m-xylene and mesitylene, CCl4 in hexane and toluene, and C2HCl3 in n-hexane for concentrations below 1 M and at various temperatures between −30°C and 67°C. The Ps inhibition by C6H2Cl4 was r...

  18. Antigenic variation of H1N1, H1N2 and H3N2 swine influenza viruses in Japan and Vietnam.

    Science.gov (United States)

    Takemae, Nobuhiro; Nguyen, Tung; Ngo, Long Thanh; Hiromoto, Yasuaki; Uchida, Yuko; Pham, Vu Phong; Kageyama, Tsutomu; Kasuo, Shizuko; Shimada, Shinichi; Yamashita, Yasutaka; Goto, Kaoru; Kubo, Hideyuki; Le, Vu Tri; Van Vo, Hung; Do, Hoa Thi; Nguyen, Dang Hoang; Hayashi, Tsuyoshi; Matsuu, Aya; Saito, Takehiko

    2013-04-01

    The antigenicity of the influenza A virus hemagglutinin is responsible for vaccine efficacy in protecting pigs against swine influenza virus (SIV) infection. However, the antigenicity of SIV strains currently circulating in Japan and Vietnam has not been well characterized. We examined the antigenicity of classical H1 SIVs, pandemic A(H1N1)2009 (A(H1N1)pdm09) viruses, and seasonal human-lineage SIVs isolated in Japan and Vietnam. A hemagglutination inhibition (HI) assay was used to determine antigenic differences that differentiate the recent Japanese H1N2 and H3N2 SIVs from the H1N1 and H3N2 domestic vaccine strains. Minor antigenic variation between pig A(H1N1)pdm09 viruses was evident by HI assay using 13 mAbs raised against homologous virus. A Vietnamese H1N2 SIV, whose H1 gene originated from a human strain in the mid-2000s, reacted poorly with post-infection ferret serum against human vaccine strains from 2000-2010. These results provide useful information for selection of optimal strains for SIV vaccine production.

  19. Influenza A (H3N2) Variant Virus

    Science.gov (United States)

    ... Swine Variant Pandemic Other Influenza A (H3N2) Variant Virus Language: English (US) Español Recommend on Facebook Tweet Share Compartir Influenza viruses that normally circulate in pigs are called “variant” ...

  20. Bis[μ-(E-N-(pyridin-3-ylmethylidenehydroxyamine]-κ2N1:N32N3:N1-bis{[(E-N-(pyridin-3-ylmethylidene-κNhydroxyamine]silver(I} dinitrate

    Directory of Open Access Journals (Sweden)

    Shan Gao

    2012-12-01

    Full Text Available In the centrosymmetric dinuclear title AgI compound, [Ag2(C6H6N2O4](NO32, the aromatic amine-coordinated AgI atom is further bridged by two hydroxylamine molecules that use aromatic and oxime N atoms for bridging, and it exists in a distorted trigonal-planar geometry. In the crystal, the nitrate anions link to the dinuclear compound molecules via O—H...O hydrogen bonds, generating a chain running along the a-axis direction.

  1. Excess molar enthalpies and volumes of binary mixtures of two hydrofluoroethers with hexane, or benzene, or ethanol, or 1-propanol, or 2-butanone at T=298.15 K

    International Nuclear Information System (INIS)

    Ogawa, Hideo; Karashima, Shinya; Takigawa, Takayo; Murakami, Sachio

    2003-01-01

    Excess molar enthalpies and volumes at T=298.15 K are reported for binary mixtures of {1,1,2,3,3,3-hexafluoro-1-methoxypropane (HFE-356mec), [CF 3 CHFCF 2 -O-CH 3 ], or 1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane (HFE-347pc-f) [CHF 2 CF 2 -O-CH 2 CF 3 ] + hexane (Hx), or benzene (Bz), or ethanol (EtOH), or 1-propanol (PrOH), or 2-butanone (MEK)}. The results of excess molar enthalpies are endothermic over the whole range of concentration, except for the MEK systems, in which excess molar enthalpies are exothermic over the whole range of concentration, and the EtOH systems, in which they are exothermic in the smaller mole fraction range. On the other hand, excess molar volumes are positive over the whole concentration range for all the mixtures. The values of the excess molar enthalpies for the (HFE-347pc-f + Hx) system show the linear composition dependence in the range of ca. 0.3< x<0.7, suggesting the quasi-stable state in solution. The results are explained by means of the destruction of the dipolar interactions and hydrogen bond in the pure component liquids, the difference of the dispersion interactions between the pure component liquid and solution, and the formation of the intermolecular hydrogen bond and dipolar interaction between unlike molecules

  2. KV4.3 N-terminal deletion mutant Δ2–39

    Science.gov (United States)

    Hovind, Laura J; Skerritt, Matthew R

    2011-01-01

    Gating transitions in the KV4.3 N-terminal deletion mutant Δ2–39 were characterized in the absence and presence of KChIP2b. We particularly focused on gating characteristics of macroscopic (open state) versus closed state inactivation (CSI) and recovery. In the absence of KChIP2b Δ2–39 did not significantly alter the steady-state activation “a4” relationship or general CSI characteristics, but it did slow the kinetics of deactivation, macroscopic inactivation and macroscopic recovery. Recovery kinetics (for both WT KV4.3 and Δ2–39) were complicated and displayed sigmoidicity, a process which was enhanced by Δ2–39. Deletion of the proximal N-terminal domain therefore appeared to specifically slow mechanisms involved in regulating gating transitions occurring after the channel open state(s) had been reached. In the presence of KChIP2b Δ2–39 recovery kinetics (from both macroscopic and CSI) were accelerated, with an apparent reduction in initial sigmoidicity. Hyperpolarizing shifts in both “a4” and isochronal inactivation “i” were also produced. KChIP2b-mediated remodeling of KV4.3 gating transitions was therefore not obligatorily dependent upon an intact N-terminus. To account for these effects we propose that KChIP2 regulatory domains exist in KV4.3 α subunit regions outside of the proximal N-terminal. In addition to regulating macroscopic inactivation, we also propose that the KV4.3 N-terminus may act as a novel regulator of deactivation-recovery coupling. PMID:21057209

  3. 40 CFR 721.1000 - Benzenamine, 3-chloro-2,6-dinitro-N,N-dipropyl-4-(tri-fluoro-methyl)-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzenamine, 3-chloro-2,6-dinitro-N,N-dipropyl-4-(tri-fluoro-methyl)-. 721.1000 Section 721.1000 Protection of Environment ENVIRONMENTAL... Significant New Uses for Specific Chemical Substances § 721.1000 Benzenamine, 3-chloro-2,6-dinitro-N,N...

  4. Structural, mechanical, and electronic properties of monoclinic N{sub 2}H{sub 5}N{sub 3} under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Qi-Jun, Liu; Fu-Sheng, Liu, E-mail: qijunliu@home.swjtu.edu.cn [School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu (China); Bond and Band Engineering Group, Sichuan Provincial Key Laboratory (for Universities) of High Pressure Science and Technology, Southwest Jiaotong University, Chengdu (China); Zheng-Tang, Liu [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi' an, (China)

    2015-08-15

    Structural, elastic, mechanical, and electronic properties of monoclinic N{sub 2}H{sub 5}N{sub 3} at zero and high pressure have been investigated using the plane-wave ultrasoft pseudopotential method within the density-functional theory (DFT). The pressure dependences of structural parameters, elastic constants, mechanical properties, band gaps, and density of states of monoclinic N{sub 2}H{sub 5}N{sub 3} have been calculated and discussed. The obtained results show that monoclinic N{sub 2}H{sub 5}N{sub 3} is unstable at pressures exceeding the value 126.1 GPa. The ratio of B/G and the Cauchy’s pressure indicate that monoclinic N{sub 2}H{sub 5}N{sub 3} behaves in ductile nature with pressure ranging from 0 to 200 GPa. (author)

  5. Thermal expansion of superconducting phases Bi2Sr2Can-1CunO2n+2+δ with n=1,2,3

    International Nuclear Information System (INIS)

    Zhurov, V.V.; Ivanov, S.A.; Bush, A.A.; Romanov, B.N.

    1990-01-01

    Consideration is given to results of X-ray diffraction studies of temperature dependences of a 0 ,c 0 sublattice parameters of Bi 2 Sr 2 Ca n-1 Cu n O 2n+2+ δ superconducting phases with n=1,2,3 (2201, 2212, 2223) in 90-1000 K range. The obtained dependences are composed of some temperature linear sections, where values of thermal coefficients of linear expansion α a , α c were determined for all examined phases. During first heating of samples of 2212 phase a 0 (T), c 0 (T) dependences deviate in ≅500-700 K range from linear ones till the occurence of a section with negative a c . After heating of 2212 phase up to T>≅700 K and cooling down to 300 K, a 0 ,c 0 parameters decrease by ≅0.006 and 0.08 A respectively. Data on the effect of preparation method and thermal prehistory of 2212 samples and on relative content of calcium atoms in them for these anomalies were obtained. Some possible reasons of their occurence were analyzed

  6. Effect of Ga2O3 addition on the properties of Y2O3-doped AlN ceramics

    Directory of Open Access Journals (Sweden)

    Shin H.

    2015-01-01

    Full Text Available Effect Ga2O3 addition on the densification and properties of Y2O3-doped AlN ceramics was investigated under the constraint of total sintering additives (Y2O3 and Ga2O3 of 4.5 wt%. Ga was detected in the AlN grain as well as the grain boundary phases. YAlO3 and Y4Al2O9 were observed as the secondary crystalline phases in all of the investigated compositions. As the substitution of Ga2O3 for Y2O3 increased, the quantity of the Y4Al2O9 phase decreased while that of YAlO3 was more or less similar. Neither additional secondary phases was identified, nor was the sinterability inhibited by the Ga2O3 addition; the linear shrinkage and apparent density were above 20 percent and 3.34-3.37 g/cm3, respectively. However, the optical reflectance and the elastic modulus generally decreased whereas the Poisson ratio increased significantly. The dielectric constant and the loss tangent of 4.0Y2O3-0.5Ga2O3-95.5Y2O3 at the resonant frequency of 8.22 GHz were 8.63 and 0.003, respectively.

  7. Studies of a series of [Ni(P(R)2N(Ph)2)2(CH3CN)]2+ complexes as electrocatalysts for H2 production: substituent variation at the phosphorus atom of the P2N2 ligand.

    Science.gov (United States)

    Kilgore, Uriah J; Stewart, Michael P; Helm, Monte L; Dougherty, William G; Kassel, W Scott; DuBois, Mary Rakowski; DuBois, Daniel L; Bullock, R Morris

    2011-11-07

    A series of [Ni(P(R)(2)N(Ph)(2))(2)(CH(3)CN)](BF(4))(2) complexes containing the cyclic diphosphine ligands [P(R)(2)N(Ph)(2) = 1,5-diaza-3,7-diphosphacyclooctane; R = benzyl (Bn), n-butyl (n-Bu), 2-phenylethyl (PE), 2,4,4-trimethylpentyl (TP), and cyclohexyl (Cy)] have been synthesized and characterized. X-ray diffraction studies reveal that the cations of [Ni(P(Bn)(2)N(Ph)(2))(2)(CH(3)CN)](BF(4))(2) and [Ni(P(n-Bu)(2)N(Ph)(2))(2)(CH(3)CN)](BF(4))(2) have distorted trigonal bipyramidal geometries. The Ni(0) complex [Ni(P(Bn)(2)N(Ph)(2))(2)] was also synthesized and characterized by X-ray diffraction studies and shown to have a distorted tetrahedral structure. These complexes, with the exception of [Ni(P(Cy)(2)N(Ph)(2))(2)(CH(3)CN)](BF(4))(2), all exhibit reversible electron transfer processes for both the Ni(II/I) and Ni(I/0) couples and are electrocatalysts for the production of H(2) in acidic acetonitrile solutions. The heterolytic cleavage of H(2) by [Ni(P(R)(2)N(Ph)(2))(2)(CH(3)CN)](BF(4))(2) complexes in the presence of p-anisidine or p-bromoaniline was used to determine the hydride donor abilities of the corresponding [HNi(P(R)(2)N(Ph)(2))(2)](BF(4)) complexes. However, for the catalysts with the most bulky R groups, the turnover frequencies do not parallel the driving force for elimination of H(2), suggesting that steric interactions between the alkyl substituents on phosphorus and the nitrogen atom of the pendant amines play an important role in determining the overall catalytic rate. © 2011 American Chemical Society

  8. Synthesis and structure of a 1,6-hexyldiamine heptaborate, [H3N(CH2)6NH3][B7O10(OH)3

    International Nuclear Information System (INIS)

    Yang Sihai; Li Guobao; Tian Shujian; Liao Fuhui; Xiong Ming; Lin Jianhua

    2007-01-01

    A new 1,6-hexyldiamine heptaborate, [H 3 N(CH 2 ) 6 NH 3 ][B 7 O 10 (OH) 3 ] (1), has been solvothermally synthesized and characterized by single-crystal X-ray diffraction, FTIR, elemental analysis, and thermogravimetric analysis. Compound 1 crystallizes in monoclinic system, space group P2 1 /n with a=8.042(2) A, b=20.004(4) A, c=10.103(2) A, and β=90.42(3) deg. The anionic [B 7 O 10 (OH) 3 ] n 2n- layers are interlinked via hydrogen bonding to form a 3D supramolecular network containing large channels, in which the templated [H 3 N(CH 2 ) 6 NH 3 ] 2+ cations are located. - Graphical abstract: A layered 1,6-hexyldiamine heptaborate, [H 3 N(CH 2 ) 6 NH 3 ][B 7 O 10 (OH) 3 ], was solvothermally synthesized at 150 deg. C. It is a layer borate and crystallized in monoclinic space group P2 1 /n with a=8.042(2) A, b=20.004(4) A, c=10.103(2) A, β=90.42(3) deg

  9. Crystal growth and structure of the barium chloride nitrido-tantalate(V) Ba_3Cl_2TaN_3

    International Nuclear Information System (INIS)

    Blaschkowski, Bjoern; Duerr, Oliver; Reckeweg, Olaf; Schleid, Thomas

    2015-01-01

    Transparent, light yellow single crystals of the barium chloride nitridotantalate(V) Ba_3Cl_2TaN_3 (hexagonal, P6_3cm; a = 1507.39(8) pm, c = 632.98(3) pm, c/a = 0.420; Z = 6) are obtained by the reaction of the barium azide chloride Ba(N_3)Cl or its ternary decomposition products with the container wall of arc-welded tantalum ampoules at 900 C after four days. Its crystal structure displays one-dimensional chains "1_∞{[TaN_2_/_2N_2_/_1]"4"-} consisting of corner-sharing [TaN_4]"7"- tetrahedra (d(Ta-N) = 191-200 pm), which run along [001] and arrange as hexagonal rod packing. Charge compensation of these parallel "1_∞{[TaN_3]"4"-} strands occurs via Ba"2"+ cations and Cl"- anions erecting a three-dimensional network "3_∞{[Ba_3Cl_2]"4"+} (d(Ba-Cl) = 318-339 pm) with narrow channels apt to embed the chains. Several Ba-N contacts ranging between 264 and 319 pm secure the interconnection between both structural arrays and complete the coordination numbers of the Ba"2"+ cations to seven or eight. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. 2-(2,4-Dichlorophenyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylacetamide

    Directory of Open Access Journals (Sweden)

    B. Narayana

    2013-01-01

    Full Text Available In the crystal structure of the title compound, C19H17Cl2N3O2, the molecules form dimers of the R22(10 type through N—H...O hydrogen bonding. As a result of steric repulsion, the amide group is rotated with respect to both the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 80.70 (13 and 64.82 (12°, respectively. The dihedral angle between the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 48.45 (5° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 56.33 (6°.

  11. Bis(2,2′-bipyridine-κ2N,N′(3-methylbenzoato-κ2O,O′zinc 3-methylbenzoate–3-methylbenzoic acid–water (1/1/2

    Directory of Open Access Journals (Sweden)

    Qiu-qi Ye

    2012-09-01

    Full Text Available The title compound, [Zn(C8H7O2(C10H8N22](C8H7O2·C8H8O2·2H2O, is comprised of a Zn2+ cation, two 2,2′-bipydine (bipy ligands and one 3-methylbenzoate anion (L− together with one uncoordinating L− anion, one uncoordinating HL molecule and two lattice water molecules. The ZnII atom is coordinated by four N atoms of two bipy ligands and two O atoms from one L− ligand in a distorted octahedral geometry. Pairs of centrosymmetrically related complex molecules form dimers via slipped π-stacking interactions between bipy ligands with an interplanar distance of 3.470 (4 Å. The dimers are linked into supramolecular chains along [111], via C—H...O hydrogen bonds. The uncoordinated L− anions, HL molecules and water molecules are connected with each other via O—H...O hydrogen bonds, forming chains between the metal complex chains and binding them together via C—H...O contacts. The resulting layers parallel to (010 are further assembled into a three-dimensional supramolecular architecture through additional C—H...O interactions.

  12. Aggregate development in C 60/N-methyl-2-pyrrolidone solution and its mixture with water as revealed by extraction and mass spectroscopy

    Science.gov (United States)

    Kyzyma, O. A.; Korobov, M. V.; Avdeev, M. V.; Garamus, V. M.; Snegir, S. V.; Petrenko, V. I.; Aksenov, V. L.; Bulavin, L. A.

    2010-06-01

    The aggregate development in C 60/N-methyl-2-pyrrolidone (C 60/NMP) solution with time is studied by the extraction (hexane) and mass spectroscopy. It is shown that only molecular C 60 in NMP is extracted in hexane, which makes it possible to follow a change in the concentration of non-aggregated fullerene in C 60/NMP during the aggregate growth. It is concluded that almost all fullerene dissolved in NMP is in the aggregates after one month. The reorganization of the aggregates is detected when water is added to the aggregated solution C 60/NMP. Both methods prove that in this case individual fullerene molecules are detached from the aggregates, which contradicts somewhat to complete insolubility of C 60 in water.

  13. XPS-UPS, ISS characterization studies and the effect of Pt and K addition on the catalytic properties of MoO{sub 2-x}(OH){sub y} deposited on TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Al-Kandari, H. [Public Authority of Applied Education and Training (Kuwait); Mohamed, A.M.; Al-Kharafi, F. [Kuwait University, Department of Chemistry, P.O. Box 5969, Safat 13060 (Kuwait); Katrib, A., E-mail: ali.katrib@ku.edu.kw [Kuwait University, Department of Chemistry, P.O. Box 5969, Safat 13060 (Kuwait)

    2011-11-15

    Highlights: {yields} Surface electronic structure-catalytic activity correlation is presented in this research work. {yields} In situ characterization by XPS-UPS and ISS techniques were employed at the same experimental conditions applied for catalytic reactions. {yields} Catalytic reactions of Mo deposited on titanium oxide for the isomerization and hydrogenation reactions using 1-hexene and n-hexane were studied. {yields} The bifunctional properties of the molybdenum dioxide phase were modified by the addition of potassium. - Abstract: Characterization by XPS-UPS, ISS surface techniques of MoO{sub 3}/TiO{sub 2} catalysts before and after addition of Pt (PtMo) 2.5% by weight of MoO{sub 3} and potassium (KMo) enabled to identify different chemical species present on the outermost surface layer at different reduction temperatures. Catalytic activities of these systems using 1-hexene and n-hexane reactants were studied. Correlation between catalytic activity and surface electronic structure enabled us to identify the chemical species, active site(s), responsible for specific catalytic reaction(s).

  14. N-(5-Benzylsulfanyl-1,3,4-thiadiazol-2-yl-2-(piperidin-1-ylacetamide

    Directory of Open Access Journals (Sweden)

    D. S. Ismailova

    2014-03-01

    Full Text Available The title compound, C16H20N4OS2, was synthesized by the reaction of 2-benzylsulfanyl-5-chloroacetamido-1,3,4-thiadiazole and piperidine in a 1:2 ratio. The planes of the acetamide and 1,3,4-thiadiazole units are twisted by 10.8 (4°. The thiadiazole S atom and the acetamide O atom are syn-oriented due to a hypervalent S...O interaction of 2.628 (4 Å. In the crystal, molecules form centrosymmetric dimers via N—H...N hydrogen bonds. These dimers are further connected by C—H...O interactions into (100 layers.

  15. Synthesis and Electrospray Ionization Mass Spectra of N-(1,3,2-Dioxaphosphorinan-2-ylmethyl)thiophosphoramidates

    Institute of Scientific and Technical Information of China (English)

    MIAO,Zhi-Wei; FU,Cui-Rong; WANG,Bin; CUI,Zhan-Wei; ZHANG,Jian-Feng; CHEN,Ru-Yu

    2007-01-01

    N-(1,3,2-Dioxaphosphorinan-2-ylmethyl) thiophosphoramidates were synthesized and determined by NMR spectra and positive ion electrospray ionization mass spectrometry (ESI-MS) in conjunction with tandem mass spectrometry (MS/MS). The fragmentation pathways were investigated. The results show that these characteristic ions in ESI mass spectra are useful in the structural determination of N-(1,3,2-dioxaphosphorinan-2-ylmethyl)thiophosphoramidates.

  16. A Comparative Study of the Inclusion Complexes of 2-[5'-benzylidene-2'-phenyl-4'-oxo-1', 3'-thiazolidine]-1, 3-benzothiazole and 2-[5'-(p-N,N-dimethylamino- benzylidene-2'-phenyl-4'-oxo-1', 3'-thiazolidine]-1, 3-benzothiazole withβ-Cyclodextrin

    Directory of Open Access Journals (Sweden)

    S. Panda

    2011-01-01

    Full Text Available The compounds 2-[5'-benzylidene-2'-phenyl-4'-oxo-1', 3'-thiazolidine]-1, 3-benzothiazole and 2-[5'-(p-N,N-dimethylamino- benzylidene-2'-phenyl-4'-oxo-1', 3'-thiazolidine]-1, 3-benzothiazole have been synthesized in their purest forms starting from 2-aminobenzothiazole. The inclusion complexes of the above compounds have been prepared with β-cyclodextrin to increase their solubility and bioaccessibility in polar medium. The formation of inclusion complexes have been ascertained by study of spectral characteristic before and after inclusion complex formation. The stability of inclusion complexes and nature of interaction between the host and guest are known from the determination of thermodynamic parameters. Further the antibacterial and antifungal activities of the compounds are determined which is found to increase significantly after inclusion complex formation

  17. SSR240612 [(2R)-2-[((3R)-3-(1,3-benzodioxol-5-yl)-3-[[(6-methoxy-2-naphthyl)sulfonyl]amino]propanoyl)amino]-3-(4-[[2R,6S)-2,6-dimethylpiperidinyl]methyl]phenyl)-N-isopropyl-N-methylpropanamide hydrochloride], a new nonpeptide antagonist of the bradykinin B1 receptor: biochemical and pharmacological characterization.

    Science.gov (United States)

    Gougat, Jean; Ferrari, Bernard; Sarran, Lionel; Planchenault, Claudine; Poncelet, Martine; Maruani, Jeanne; Alonso, Richard; Cudennec, Annie; Croci, Tiziano; Guagnini, Fabio; Urban-Szabo, Katalin; Martinolle, Jean-Pierre; Soubrié, Philippe; Finance, Olivier; Le Fur, Gérard

    2004-05-01

    The biochemical and pharmacological properties of a novel non-peptide antagonist of the bradykinin (BK) B(1) receptor, SSR240612 [(2R)-2-[((3R)-3-(1,3-benzodioxol-5-yl)-3-[[(6-methoxy-2-naphthyl)sulfonyl]amino]propanoyl)amino]-3-(4-[[2R,6S)-2,6-dimethylpiperidinyl]methyl]phenyl)-N-isopropyl-N-methylpropanamide hydrochloride] were evaluated. SSR240612 inhibited the binding of [(3)H]Lys(0)-des-Arg(9)-BK to the B(1) receptor in human fibroblast MRC5 and to recombinant human B(1) receptor expressed in human embryonic kidney cells with inhibition constants (K(i)) of 0.48 and 0.73 nM, respectively. The compound selectivity for B(1) versus B(2) receptors was in the range of 500- to 1000-fold. SSR240612 inhibited Lys(0)-desAr(9)-BK (10 nM)-induced inositol monophosphate formation in human fibroblast MRC5, with an IC(50) of 1.9 nM. It also antagonized des-Arg(9)-BK-induced contractions of isolated rabbit aorta and mesenteric plexus of rat ileum with a pA(2) of 8.9 and 9.4, respectively. Antagonistic properties of SSR240612 were also demonstrated in vivo. SSR240612 inhibited des-Arg(9)-BK-induced paw edema in mice (3 and 10 mg/kg p.o. and 0.3 and 1 mg/kg i.p.). Moreover, SSR240612 reduced capsaicin-induced ear edema in mice (0.3, 3 and 30 mg/kg p.o.) and tissue destruction and neutrophil accumulation in the rat intestine following splanchnic artery occlusion/reperfusion (0.3 mg/kg i.v.). The compound also inhibited thermal hyperalgesia induced by UV irradiation (1 and 3 mg/kg p.o.) and the late phase of nociceptive response to formalin in rats (10 and 30 mg/kg p.o.). Finally, SSR240612 (20 and 30 mg/kg p.o.) prevented neuropathic thermal pain induced by sciatic nerve constriction in the rat. In conclusion, SSR240612 is a new, potent, and orally active specific non-peptide bradykinin B(1) receptor antagonist.

  18. Seroprotective antibodies to 2011 variant influenza A(H3N2v) and seasonal influenza A(H3N2) among three age groups of US Department of Defense service members.

    Science.gov (United States)

    Radin, Jennifer M; Hawksworth, Anthony W; Ortiguerra, Ryan G; Brice, Gary T

    2015-01-01

    In 2011, a new variant of influenza A(H3N2) emerged that contained a recombination of genes from swine H3N2 viruses and the matrix (M) gene of influenza A(H1N1)pdm09 virus. New combinations and variants of pre-existing influenza viruses are worrisome if there is low or nonexistent immunity in a population, which increases chances for an outbreak or pandemic. Sera collected in 2011 were obtained from US Department of Defense service members in three age groups: 19-21 years, 32-33 years, and 47-48 years. Pre- and post-vaccination samples were available for the youngest age group, and postvaccination samples for the two older groups. Specimens were tested using microneutralization assays for antibody titers against H3N2v (A/Indiana/10/2011) and seasonal H3N2 virus (A/Perth/16/2009). The youngest age group had significantly (p<0.05) higher geometric mean titers for H3N2v with 165 (95% confidence interval [CI]: 105-225) compared with the two older groups, aged 32-33 and 47-48 years, who had geometric mean titers of 68 (95% CI: 55-82) and 46 (95% CI: 24-65), respectively. Similarly, the youngest age group also had the highest geometric mean titers for seasonal H3N2. In the youngest age group, the proportion of patients who seroconverted after vaccination was 12% for H3N2v and 27% for seasonal H3N2. Our results were similar to previous studies that found highest seroprotection among young adults and decreasing titers among older adults. The proportion of 19- to 21-year-olds who seroconverted after seasonal vaccination was low and similar to previous findings. Improving our understanding of H3N2v immunity among different age groups in the United States can help inform vaccination plans if H3N2v becomes more transmissible in the future.

  19. 2H(d,p)3H and 2H(d,n)3He reactions at sub-coulomb energies

    International Nuclear Information System (INIS)

    Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Spartá, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.

    2012-01-01

    The 2 H( 3 He,p 3 H) 1 H and 2 H( 3 He,n 3 He) 1 H processes have been measured in quasi free kinematics to investigate for the first time the 2 H(d,p) 3 H and 2 H(d,n) 3 He reactions by means of the Trojan Horse Method. The 3 He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4±1.8 MeVb for 3 H+p and 60.1±1.9 MeVb for 3 He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

  20. Layered Halide Double Perovskites Cs3+nM(II)nSb2X9+3n (M = Sn, Ge) for Photovoltaic Applications.

    Science.gov (United States)

    Tang, Gang; Xiao, Zewen; Hosono, Hideo; Kamiya, Toshio; Fang, Daining; Hong, Jiawang

    2018-01-04

    Over the past few years, the development of lead-free and stable perovskite absorbers with excellent performance has attracted extensive attention. Much effort has been devoted to screening and synthesizing this type of solar cell absorbers. Here, we present a general design strategy for designing the layered halide double perovskites Cs 3+n M(II) n Sb 2 X 9+3n (M = Sn, Ge) with desired photovoltaic-relevant properties by inserting [MX 6 ] octahedral layers, based on the principles of increased electronic dimensionality. Compared to Cs 3 Sb 2 I 9 , more suitable band gaps, smaller carrier effective masses, larger dielectric constants, lower exciton binding energies, and higher optical absorption can be achieved by inserting variable [SnI 6 ] or [GeI 6 ] octahedral layers into the [Sb 2 I 9 ] bilayers. Moreover, our results show that adjusting the thickness of inserted octahedral layers is an effective approach to tune the band gaps and carrier effective masses in a large range. Our work provides useful guidance for designing the promising layered antimony halide double perovskite absorbers for photovoltaic applications.

  1. Surface properties and catalytic performance of Pt/LaSrCoO4 catalysts in the oxidation of hexane

    Directory of Open Access Journals (Sweden)

    Hua Zhong

    2007-08-01

    Full Text Available Perovskite-type La2 –xSrxCoO4 mixed oxides have been prepared by calcination at various temperatures of precipitates obtained from aqueous solutions in the presence of citric or ethylenediamintetraacetic (EDTA acids, and have been studied by X-ray diffraction (XRD, surface area (BET measurements, temperature programmed desorption (TPD, temperature programmed reduction (TPR and X-ray photoelectron spectroscopy (XPS. These oxides are catalysts for hexane oxidation, with the greatest activity for LaSrCoO4 calcined at 750 C. This has extensive oxygen vacancies and large internal surface area. Pt-modified LaSrCoO4 catalysts are significantly more active than the Pt-free system. Both surface and bulk phases of the preovskitetype oxides contribute to hexane oxidation.

  2. Crystal structure of chlorido{[3-(eta(5)-cyclopenta-dienyl)-2,2,3-trimethyl-1-phenylbutylidene]azanido-kappa N}[eta(2)(N,O)-N,N-dimethylhydroxyl-aminato]titanium(IV), C20H27ClN2OTi

    Czech Academy of Sciences Publication Activity Database

    Večeřa, M.; Gyepes, R.; Lamač, Martin

    2017-01-01

    Roč. 232, č. 3 (2017), s. 457-459 ISSN 1433-7266 R&D Projects: GA ČR(CZ) GA14-08531S Institutional support: RVO:61388955 Keywords : crystal structure * C20H27ClN2OTi * physical chemistry Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 0.152, year: 2016

  3. catena-Poly[nickel(II-bis(μ-2-aminoethanesulfonato-κ3N,O:O′;κ3O:N,O′

    Directory of Open Access Journals (Sweden)

    Feng Yang

    2010-07-01

    Full Text Available In the title polymeric complex, [Ni(C2H6NO3S2]n, the NiII ion occupies a special position on an inversion centre and displays a slightly distorted octahedral coordination geometry, being linked to four sulfonate O atoms and to two N atoms of the taurine ligands. The sulfonate groups doubly bridge symmetry-related NiII centers, forming polymeric chains along the a axis.

  4. Seroprevalence of three influenza A viruses (H1N1, H3N2, and H3N8) in pet dogs presented to a veterinary hospital in Ohio.

    Science.gov (United States)

    Jang, Hyesun; Jackson, Yasmine K; Daniels, Joshua B; Ali, Ahmed; Kang, Kyung-Il; Elaish, Mohamed; Lee, Chang-Won

    2017-08-31

    The prevalence of canine H3N8 influenza and human H1N1 and H3N2 influenza in dogs in Ohio was estimated by conducting serologic tests on 1,082 canine serum samples. In addition, risk factors, such as health status and age were examined. The prevalences of human H1N1, H3N2, and canine H3N8 influenzas were 4.0%, 2.4%, and 2.3%, respectively. Two samples were seropositive for two subtypes (H1N1 and H3N2; H1N1 and canine influenza virus [CIV] H3N8). Compared to healthy dogs, dogs with respiratory signs were 5.795 times more likely to be seropositive against H1N1 virus ( p = 0.042). The prevalence of human flu infection increased with dog age and varied by serum collection month. The commercial enzyme-linked immunosorbent assay used in this study did not detect nucleoprotein-specific antibodies from many hemagglutination inhibition positive sera, which indicates a need for the development and validation of rapid tests for influenza screening in canine populations. In summary, we observed low exposure of dogs to CIV and human influenza viruses in Ohio but identified potential risk factors for consideration in future investigations. Our findings support the need for establishment of reliable diagnostic standards for serologic detection of influenza infection in canine species.

  5. High resolution n = 3 to n = 2 spectra of neon-like silver

    International Nuclear Information System (INIS)

    Beiersdorfer, P.; Bitter, M.; von Goeler, S.

    1986-04-01

    Spectra of the n = 3 to n = 2 transitions in neon-like silver emitted from the Princeton Large Torus have been recorded with a high-resolution Bragg-crystal spectrometer. The measurements cover the wavelength region 3.3 to 4.1 A and include the forbidden 3p → 2p electric quadrupole lines. Transitions in the adjacent sodium-like, and aluminum-like charge states of silver have also been observed and identified. The Ly-α spectra of hydrogen-like argon and iron, the Kα spectra of helium-like argon, potassium, manganese, and iron, and the Kβ spectrum of helium-like argon fall in the same wavelength region in first or second order and have been measured concurrently. These spectra provide a coherent set of wavelength reference data obtained with the same spectrometer and from the same tokamak. This set is used as a basis to compare wavelength predictions for one- and two-electron systems to each other and to determine the transition energies of the silver lines with great accuracy

  6. C=C bond cleavage on neutral VO3(V2O5)n clusters.

    Science.gov (United States)

    Dong, Feng; Heinbuch, Scott; Xie, Yan; Bernstein, Elliot R; Rocca, Jorge J; Wang, Zhe-Chen; Ding, Xun-Lei; He, Sheng-Gui

    2009-01-28

    The reactions of neutral vanadium oxide clusters with alkenes (ethylene, propylene, 1-butene, and 1,3-butadiene) are investigated by experiments and density function theory (DFT) calculations. Single photon ionization through extreme ultraviolet radiation (EUV, 46.9 nm, 26.5 eV) is used to detect neutral cluster distributions and reaction products. In the experiments, we observe products (V(2)O(5))(n)VO(2)CH(2), (V(2)O(5))(n)VO(2)C(2)H(4), (V(2)O(5))(n)VO(2)C(3)H(4), and (V(2)O(5))(n)VO(2)C(3)H(6), for neural V(m)O(n) clusters in reactions with C(2)H(4), C(3)H(6), C(4)H(6), and C(4)H(8), respectively. The observation of these products indicates that the C=C bonds of alkenes can be broken on neutral oxygen rich vanadium oxide clusters with the general structure VO(3)(V(2)O(5))(n=0,1,2...). DFT calculations demonstrate that the reaction VO(3) + C(3)H(6) --> VO(2)C(2)H(4) + H(2)CO is thermodynamically favorable and overall barrierless at room temperature. They also provide a mechanistic explanation for the general reaction in which the C=C double bond of alkenes is broken on VO(3)(V(2)O(5))(n=0,1,2...) clusters. A catalytic cycle for alkene oxidation on vanadium oxide is suggested based on our experimental and theoretical investigations. The reactions of V(m)O(n) with C(6)H(6) and C(2)F(4) are also investigated by experiments. The products VO(2)(V(2)O(5))(n)C(6)H(4) are observed for dehydration reactions between V(m)O(n) clusters and C(6)H(6). No product is detected for V(m)O(n) clusters reacting with C(2)F(4). The mechanisms of the reactions between VO(3) and C(2)F(4)/C(6)H(6) are also investigated by calculations at the B3LYP/TZVP level.

  7. Bis[2-(2-pyridylmethyleneaminobenzenesulfonato-κ3N,N′,O]cadmium(II dihydrate

    Directory of Open Access Journals (Sweden)

    Miao Ou-Yang

    2008-11-01

    Full Text Available The title complex, [Cd(Paba22H2O or [Cd(C12H9N2O3S22H2O, was synthesized by the reaction of the potassium salt of 2-(2-pyridylmethyleneaminobenzenesulfonic acid (PabaK with CdCl2·2.5H2O in methanol. The CdII atom lies on a crystallographic twofold axis and is coordinated by four N atoms and two O atoms from two deprotonated tridentate 2-(2-pyridylmethyleneaminobenzenesulfonate ligands in a slightly distorted octahedral environment. There are extensive hydrogen bonds of the type O—H...O between the uncoordinated water molecules and the sulfonate O atoms, through which the complex forms a layered structure parallel to (001.

  8. Probing the electronic properties of ternary A n M3n-1B2n (n = 1: A = Ca, Sr; M = Rh, Ir and n = 3: A = Ca, Sr; M = Rh) phases: observation of superconductivity.

    Science.gov (United States)

    Takeya, Hiroyuki; ElMassalami, Mohammed; Terrazos, Luis A; Rapp, Raul E; Capaz, Rodrigo B; Fujii, Hiroki; Takano, Yoshihiko; Doerr, Mathias; Granovsky, Sergey A

    2013-06-01

    We follow the evolution of the electronic properties of the titled homologous series when n as well as the atomic type of A and M are varied where for n = 1, A = Ca, Sr and M = Rh, Ir while for n = 3, A = Ca, Sr and M = Rh. The crystal structure of n = 1 members is known to be CaRh 2 B 2 -type ( Fddd ), while that of n = 3 is Ca 3 Rh 8 B 6 -type ( Fmmm ); the latter can be visualized as a stacking of structural fragments from AM 3 B 2 ( P 6/ mmm ) and AM 2 B 2 . The metallic properties of the n = 1 and 3 members are distinctly different: on the one hand, the n = 1 members are characterized by a linear coefficient of the electronic specific heat γ ≈ 3 mJ mol -1 K -2 , a Debye temperature θ D ≈ 300 K, a normal conductivity down to 2 K and a relatively strong linear magnetoresistivity for fields up to 150 kOe. The n = 3 family, on the other hand, exhibits γ ≈ 18 mJ mol -1 K -2 , θ D ≈ 330 K, a weak linear magnetoresistivity and an onset of superconductivity (for Ca 3 Rh 8 B 6 , T c = 4.0 K and H c2 = 14.5 kOe, while for Sr 3 Rh 8 B 6 , T c = 3.4 K and H c2 ≈ 4.0 kOe). These remarkable differences are consistent with the findings of the electronic band structures and density of state (DOS) calculations. In particular, satisfactory agreement between the measured and calculated γ was obtained. Furthermore, the Fermi level, E F , of Ca 3 Rh 8 B 6 lies at almost the top of a pronounced local DOS peak, while that of CaRh 2 B 2 lies at a local valley: this is the main reason behind the differences between the, e.g., superconducting properties. Finally, although all atoms contribute to the DOS at E F , the contribution of the Rh atoms is the strongest.

  9. N-(3-{[(Z-(3-Hydroxy-4-methylphenylimino]methyl}pyridin-2-ylpivalamide

    Directory of Open Access Journals (Sweden)

    Şehriman Atalay

    2016-03-01

    Full Text Available The molecular structure of the title compound, C18H21N3O2, contains pivalamide, pyridin and hydroxy-methylphenyl moieties. The whole molecule is not planar, the dihedral angle between the benzene rings being 34.84 (7°. The molecular conformation is stabilized by an intramolecular N—H...N hydrogen bond. In the crystal, molecules are linked by O—H...O, O—H...N and C—H...O hydrogen bonds. The C and H atoms of the tert-butyl group disordered over two sets of sites with an occupancy ratio of 0.692 (5:0.308 (5.

  10. Stability of [MeBu{sub 3}N][Tf{sub 2}N] under gamma irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Bosse, Emilie; Berthon, Laurence; Zorz, Nicole; Monget, Julie; Berthon, Claude; Bisel, Isabelle; Legand, Solene; Moisy, Philippe [CEA Marcoule, DCRP/SCPS, BP 17171, 30207 Bagnols sur Ceze Cedex (France)

    2008-07-01

    The stability of the ionic liquid [MeBu{sub 3}N][Tf{sub 2}N], dry or after contact with water (where [MeBu{sub 3}N]{sup +} is the methyl-tributyl-ammonium cation and [Tf{sub 2}N]{sup -} is the bistriflimide anion), was studied under {sup 137}Cs gamma irradiation in argon and in air. In a quantitative study with an absorbed dose of 2 MGy this ionic liquid was highly stable regardless of the radiolysis conditions. The radiolytic disappearance yields determined by ESI-MS were -0.38 and -0.25 {mu}mol*J{sup -1} for the cation and anion, respectively. ESI-MS, NMR, and liquid chromatography coupled with ESI-MS identified a large number of degradation products in very small quantities for the same dose. The cation radicals were formed by the loss of a Bu{sup .} group, the Me{sup .} group, or two H{sup .} atoms to form a double bond with the butyl chain. Radiolysis of the anion produced mainly F{sup .} and CF{sub 3}{sup .} radicals. The anion radicals recombined with the cation to form a wide range of secondary degradation products regardless of the radiolysis conditions. (authors)

  11. Synthesis, structures, and magnetic properties of novel Roddlesden-Popper homologous series Srn+1ConO3n+1 (n=1,2,3,4, and ∞)

    International Nuclear Information System (INIS)

    Wang, X.L.; Sakurai, H.; Takayama-Muromachi, E.

    2005-01-01

    Roddlesden-Popper homologous series Sr n+1 Co n O 3n+1 (n=1,2,3,4, and ∞) compounds were successfully synthesized by a high pressure and high temperature technique. Structure refinement revealed that these compounds crystallize in tetragonal structures, while the compound n=∞ is cubic. These compounds are ferromagnetic with the Curie temperature decreasing from 255 K for n=1 to about 200 K for n=2-4 and down to 175 K for SrCoO 3 . Co 4+ ions present as intermediate spin states for n=1-4, but in the low spin state in SrCoO 3 . Negative magnetoresistance was observed for Sr 2 CoO 4 and found to be larger than that for SrCoO 3

  12. Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.

    Science.gov (United States)

    Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu

    2016-03-21

    The inner C-benzyl- and C-o-xylyl (or m-xylyl, p-xylyl)-substituted cobalt(ii) complexes of a 2-N-substituted N-confused porphyrin were synthesized from the reaction of 2-NC3H5NCTPPH (1) and CoCl2·6H2O in toluene (or o-xylene, m-xylene, p-xylene). The crystal structures of diamagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-hydrogen-21-carbaporphyrinato-N,N',N'')zinc(ii) [Zn(2-NC3H5-21-H-NCTPP)Cl; 3 ] and paramagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-benzyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-CH2C6H5NCTPP)Cl; 7], and chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-Y-xylyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-Y-CH2C6H4CH3NCTPP)Cl] [Y = o (8), m (9), p (10)] were determined. The coordination sphere around the Zn(2+) (or Co(2+)) ion in 3 (or 7-10) is a distorted tetrahedron (DT). The free energy of activation at the coalescence temperature Tc for the exchange of phenyl ortho protons o-H (26) with o-H (22) in 3 in a CDCl3 solvent is found to be ΔG = 61.4 kJ mol(-1) through (1)H NMR temperature-dependent measurements. The axial zero-field splitting parameter |D| was found to vary from 35.6 cm(-1) in 7 (or 30.7 cm(-1) in 8) to 42.0 cm(-1) in 9 and 46.9 cm(-1) in 10 through paramagnetic susceptibility measurements. The magnitude of |D| can be related to the coordination sphere at the cobalt sites.

  13. Hexa-μ-acetato-1:2κ4O,O′;1:2κ2O:O;2:3κ4O,O′;2:3κ2O:O-bis(4,4′-dimethyl-2,2′-bipyridine-1κ2N,N′;3κ2N,N′-2-calcium-1,3-dizinc

    Directory of Open Access Journals (Sweden)

    Md. Alamgir Hossain

    2013-12-01

    Full Text Available In the centrosymmetric trinuclear ZnII...CaII...ZnII title complex, [CaZn2(CH3COO6(C12H12N22], the CaII ion lies on an inversion centre and is octahedrally coordinated by six acetate O atoms. The ZnII ion is coordinated by two N atoms from a bidentate dimethylbipyridine ligand and three O atoms from acetate ligands bridging to the CaII ion, leading to a distorted square-pyramidal coordination sphere. The Zn...Ca distance is 3.4668 (5 Å.

  14. N2,N2,N5,N5-Tetrakis(2-chloroethyl-3,4-dimethylthiophene-2,5-dicarboxamide

    Directory of Open Access Journals (Sweden)

    Yi-Dan Tang

    2010-01-01

    Full Text Available In the title compound, C16H22Cl4N2O2S, the two imide groups adopt a trans arrangement relative to the central thienyl ring, so the four terminal 2-chloroethyl arms adopt different orientations. In the crystal, molecules are linked by weak C—H...Cl and C—H...O hydrogen bonds into a three-dimensional network.

  15. Aqua{2-(pyridin-2-yl-N-[(pyridin-2-ylmethylidene]ethanamine-κ3N,N′,N′′}(sulfato-κ2O,O′copper(II tetrahydrate

    Directory of Open Access Journals (Sweden)

    Daniel Tinguiano

    2013-01-01

    Full Text Available The title complex, [Cu(SO4(C13H13N3(H2O]·4H2O, was obtained by mixing copper sulfate pentahydrate and 2-(pyridin-2-yl-N-(pyridin-2-ylmethylideneethanamine in ethanol under reflux conditions. The CuII ion shows a Jahn–Teller-distorted octahedral geometry, with equatorial positions occupied by three N atoms from the tridentate ligand (average Cu—N = 2.004 Å and one O atom from a bidentate sulfate anion [Cu—O = 1.963 (2 Å]. The axial positions are occupied by one O atom from a coordinating water molecule [Cu—O = 2.230 (3 Å] and one weakly bonded O atom [Cu—O = 2.750 (2 Å] from the bidentate sulfate ion. The complex molecules are connected through O—H...O hydrogen bonds between the coordinating water molecules and sulfate ions from neighboring complexes, forming a double chain parallel to the c axis. The chains are stabilized through additional hydrogen bonds by one of the non-coordinating water molecules bridging between neighboring strands of the double chains. The remaining three water molecules fill the interstitial space between the double chains and are involved in an intricate hydrogen-bonding network that consolidates the structure.

  16. Different neuraminidase inhibitor susceptibilities of human H1N1, H1N2, and H3N2 influenza A viruses isolated in Germany from 2001 to 2005/2006.

    Science.gov (United States)

    Bauer, Katja; Richter, Martina; Wutzler, Peter; Schmidtke, Michaela

    2009-04-01

    In the flu season 2005/2006 amantadine-resistant human influenza A viruses (FLUAV) of subtype H3N2 circulated in Germany. This raises questions on the neuraminidase inhibitor (NAI) susceptibility of FLUAV. To get an answer, chemiluminescence-based neuraminidase inhibition assays were performed with 51 H1N1, H1N2, and H3N2 FLUAV isolated in Germany from 2001 to 2005/2006. According to the mean IC(50) values (0.38-0.91 nM for oseltamivir and 0.76-1.13 nM for zanamivir) most H1N1 and H3N2 FLUAV were NAI-susceptible. But, about four times higher zanamivir concentrations were necessary to inhibit neuraminidase activity of H1N2 viruses. Two H1N1 isolates were less susceptible to both drugs in NA inhibition as well as virus yield reduction assays. Results from sequence analysis of viral hemagglutinin and neuraminidase genes and evolutionary analysis of N2 gene revealed (i) different subclades for N2 in H1N2 and H3N2 FLUAV that could explain the differences in zanamivir susceptibility among these viruses and (ii) specific amino acid substitutions in the neuraminidase segment of the two less NAI-susceptible H1N1 isolates. One H3N2 was isolate proved to be a mixture of a NA deletion mutant and full-length NA viruses.

  17. Solution synthesis, structure, and CO{sub 2} reduction reactivity of a Scandium(II) complex, {Sc[N(SiMe_3)_2]_3}{sup -}

    Energy Technology Data Exchange (ETDEWEB)

    Woen, David H.; Chen, Guo P.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. [Department of Chemistry, University of California, Irvine, CA (United States); Boyle, Timothy J. [Sandia National Laboratories, Advanced Materials Laboratory, Albuquerque, NM (United States)

    2017-02-13

    The first crystallographically characterizable complex of Sc{sup 2+}, [Sc(NR{sub 2}){sub 3}]{sup -} (R=SiMe{sub 3}), has been obtained by LnA{sub 3}/M reactions (Ln=rare earth metal; A=anionic ligand; M=alkali metal) involving reduction of Sc(NR{sub 2}){sub 3} with K in the presence of 2.2.2-cryptand (crypt) and 18-crown-6 (18-c-6) and with Cs in the presence of crypt. Dark maroon [K(crypt)]{sup +}, [K(18-c-6)]{sup +}, and [Cs(crypt)]{sup +} salts of the [Sc(NR{sub 2}){sub 3}]{sup -} anion are formed, respectively. The formation of this oxidation state of Sc is also indicated by the eight-line EPR spectra arising from the I=7/2 {sup 45}Sc nucleus. The Sc(NR{sub 2}){sub 3} reduction differs from Ln(NR{sub 2}){sub 3} reactions (Ln=Y and lanthanides) in that it occurs under N{sub 2} without formation of isolable reduced dinitrogen species. [K(18-c-6)][Sc(NR{sub 2}){sub 3}] reacts with CO{sub 2} to produce an oxalate complex, {K_2(18-c-6)_3}{[(R_2N)_3Sc]_2(μ-C_2O_4-κ"1O:κ"1O'')}, and a CO{sub 2}{sup -} radical anion complex, [(R{sub 2}N){sub 3}Sc(μ-OCO-κ{sup 1}O:κ{sup 1}O')K(18-c-6)]{sub n}. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Validation of the antidiabetic effects of Vernonia amygdalina delile leaf fractions in fortified diet-fed streptozotocin-treated rat model of type-2 diabetes

    Directory of Open Access Journals (Sweden)

    Stanley Irobekhian Reuben Okoduwa

    2017-01-01

    Full Text Available Background: Vernonia amygdalina (VA is used in the traditional management of diabetes in Nigeria. Previous scientific verification of VA is on Type-1 diabetes model, in spite of the continuous increase in Type-2 diabetes (T2D among adults. This study aimed to validate the antidiabetic effects of VA leaf fraction (VALF in a unique T2D rat model. Materials and Methods: Methanol crude extract of VA leaf was fractionated with solvents of increasing order of polarity (n-hexane, chloroform, ethyl-acetate, n- butanol and water. The antidiabetic activities of the fractions were evaluated in vivo in T2D model rats. Albino Wistar rats were induced with T2D and treated with the VALF. Several T2D-related parameters were measured. Results: T2D rats showed significant increase in serum levels of fasting blood glucose (FBG, liver and kidney biomarkers. At 28-day post-oral treatment with the VALF, FBG levels were significantly (P < 0.05 reduced (n- hexane [29.3%], chloroform [66.7%], ethyl acetate [36.2%], n- butanol [45.59%] and aqueous [39.3%]. The glucose tolerance ability was significantly improved in the chloroform fraction (Vernonia amygdalina chloroform fraction [VAc]-treated groups compared to the other fractions-treated group and diabetic control group. Furthermore, the VAc was found to be most effective as it ameliorates most of the alterations caused in the studied parameters in diabetic rats when compared with n- hexane, ethyl acetate, n- butanol and aqueous fractions. Conclusion: The study validates the anti-diabetic effects of VALF in fortified diet-fed streptozotocin-treated rat model of T2D, and suggests that the VAc is a potential candidate for development of a more effective drug for the management of T2D.

  19. An ingenious strategy of preparing TiO2/g-C3N4 heterojunction photocatalyst: In situ growth of TiO2 nanocrystals on g-C3N4 nanosheets via impregnation-calcination method

    Science.gov (United States)

    Zhang, Guanghui; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Xia; Hai, Li; Chen, Xingwei; Wu, Wubin

    2018-03-01

    An ingenious method was employed to design and fabricate the TiO2/g-C3N4 heterojunction photocatalysts in this study. The thermal oxidation etching of g-C3N4 nanosheets and the in situ growth of TiO2 nanocrystal on the surface of g-C3N4 nanosheets were completed simultaneously by the calcination process. The g-C3N4 nanosheets played a crucial role in regulating and assembling the structures and morphologies of TiO2. Furthermore, the thickness and content of g-C3N4, and the crystallinity of TiO2 in TiO2/g-C3N4 composites could be regulated and controlled by the calcination temperature. Among the resultant TiO2/g-C3N4 samples, the TiO2/g-C3N4 sample with 41.6 wt% g-C3N4 exhibited the highest photocatalytic activity. It could degrade almost all MO molecules under visible light irradiation within 3 h. Moreover, it displayed higher visible light photocatalytic performance for degrading MO solution than pure g-C3N4 and D-TiO2. The synergistic effect between TiO2 and g-C3N4 makes significant contributions to the enhancement of the visible light photocatalytic activity. In addition, the favorable photocatalytic performance of TiO2/g-C3N4 nanocomposites is also attributed to the porous structures and uniform morphologies, and large surface area. Furthermore, the resultant TiO2/g-C3N4 exhibits excellent photocatalytic stability. Radical trapping experiments indicated that rad O2- and h+ were the main reactive species during the photodegradation process under visible light irradiation. Hopefully, the results can offer new design and strategy for preparing other g-C3N4-based nanocomposites for environmental and energy applications.

  20. Methanesulfonates of high-valent metals. Syntheses and structural features of MoO_2(CH_3SO_3)_2, UO_2(CH_3SO_3)_2, ReO_3(CH_3SO_3), VO(CH_3SO_3)_2, and V_2O_3(CH_3SO_3)_4 and their thermal decomposition under N_2 and O_2 atmosphere

    International Nuclear Information System (INIS)

    Betke, Ulf; Neuschulz, Kai; Wickleder, Mathias S.

    2011-01-01

    Oxide methanesulfonates of Mo, U, Re, and V have been prepared by reaction of MoO_3, UO_2(CH_3COO)_2.2 H_2O, Re_2O_7(H_2O)_2, and V_2O_5 with CH_3SO_3H or mixtures thereof with its anhydride. These compounds are the first examples of solvent-free oxide methanesulfonates of these elements. MoO_2(CH_3SO_3)_2 (Pbca, a=1487.05(4), b=752.55(2), c=1549.61(5) pm, V=1.73414(9) nm"3, Z=8) contains [MoO_2] moieties connected by [CH_3SO_3] ions to form layers parallel to (100). UO_2(CH_3SO_3)_2 (P2_1/c, a=1320.4(1), b=1014.41(6), c=1533.7(1) pm, β=112.80(1) "c"i"r"c"l"e, V=1.8937(3) nm"3, Z=8) consists of linear UO_2"2"+ ions coordinated by five [CH_3SO_3] ions, forming a layer structure. VO(CH_3SO_3)_2 (P2_1/c, a=1136.5(1), b=869.87(7), c=915.5(1) pm, β=113.66(1) "c"i"r"c"l"e, V=0.8290(2) nm"3, Z=4) contains [VO] units connected by methanesulfonate anions to form corrugated layers parallel to (100). In ReO_3(CH_3SO_3) (P anti 1, a=574.0(1), b=1279.6(3), c=1641.9(3) pm, α=102.08(2), β=96.11(2), γ=99.04(2) "c"i"r"c"l"e, V=1.1523(4) nm"3, Z=8) a chain structure exhibiting infinite O-[ReO_2]-O-[ReO_2]-O chains is formed. Each [ReO_2]-O-[ReO_2] unit is coordinated by two bidentate [CH_3SO_3] ions. V_2O_3(CH_3SO_3)_4 (I2/a, a=1645.2(3), b=583.1(1), c=1670.2(3) pm, β=102.58(3), V=1.5637(5) pm"3, Z=4) adopts a chain structure, too, but contains discrete [VO]-O-[VO] moieties, each coordinated by two bidentate [CH_3SO_3] ligands. Additional methanesulfonate ions connect the [V_2O_3] groups along [001]. Thermal decomposition of the compounds was monitored under N_2 and O_2 atmosphere by thermogravimetric/differential thermal analysis and XRD measurements. Under N_2 the decomposition proceeds with reduction of the metal leading to the oxides MoO_2, U_3O_7, V_4O_7, and VO_2; for MoO_2(CH_3SO_3)_2, a small amount of MoS_2 is formed. If the thermal decomposition is carried out in a atmosphere of O_2 the oxides MoO_3 and V_2O_5 are formed. (Copyright copyright 2011 WILEY-VCH Verlag

  1. Synthesis and E.I.M.S. fragmentation analysis of [1,3-{sup 15} N{sub 2}] xanthine and [1,3-{sup 15} N{sub 2}] caffeine

    Energy Technology Data Exchange (ETDEWEB)

    Kenani, A. [Tunis Univ. (Tunisia). Faculte de Medecine; Bernier, J.-L. [Laboratoire de Chimie Organique Physique (France); Henichart, J.-P. [UCB-Pharma (Belgium)

    1995-02-01

    HPLC and mass spectrometry can be used to isolate and identify all metabolites of caffeine in plasma of patients. The synthesis of [1,3-{sup 15}N{sub 2}] xanthine and [1,3-{sup 15}N{sub 2}] caffeine are of interest in the elucidation of mass spectrometry fragmentation pathways and unambiguous determination of metabolites, especially uric acid which exists as a natural constituent of human plasma. (Author).

  2. High current density 2D/3D MoS2/GaN Esaki tunnel diodes

    Science.gov (United States)

    Krishnamoorthy, Sriram; Lee, Edwin W.; Lee, Choong Hee; Zhang, Yuewei; McCulloch, William D.; Johnson, Jared M.; Hwang, Jinwoo; Wu, Yiying; Rajan, Siddharth

    2016-10-01

    The integration of two-dimensional materials such as transition metal dichalcogenides with bulk semiconductors offer interesting opportunities for 2D/3D heterojunction-based device structures without any constraints of lattice matching. By exploiting the favorable band alignment at the GaN/MoS2 heterojunction, an Esaki interband tunnel diode is demonstrated by transferring large area Nb-doped, p-type MoS2 onto heavily n-doped GaN. A peak current density of 446 A/cm2 with repeatable room temperature negative differential resistance, peak to valley current ratio of 1.2, and minimal hysteresis was measured in the MoS2/GaN non-epitaxial tunnel diode. A high current density of 1 kA/cm2 was measured in the Zener mode (reverse bias) at -1 V bias. The GaN/MoS2 tunnel junction was also modeled by treating MoS2 as a bulk semiconductor, and the electrostatics at the 2D/3D interface was found to be crucial in explaining the experimentally observed device characteristics.

  3. Poly[[aqua(μ2-4,4′-bipyridine-κ2N:N′[μ3-3-bromo-2-(carboxylatomethylbenzoato-κ3O1:O1′:O2]cadmium] monohydrate

    Directory of Open Access Journals (Sweden)

    Yangmei Liu

    2012-08-01

    Full Text Available In the title compound, {[Cd(C9H5BrO4(C10H8N2(H2O]·H2O}n, the CdII atom has a distorted octahedral coordination geometry. Two N atoms from two 4,4′-bipyridine (bipy ligands occupy the axial positions, while the equatorial positions are furnished by three carboxylate O atoms from three 3-bromo-2-(carboxylatomethylbenzoate (bcb ligands and one O atom from a water molecule. The bipy and bcb ligands link the CdII atoms into a three-dimensional network. O—H...O hydrogen bonds and π–π interactions between the pyridine and benzene rings [centroid–centroid distance = 3.736 (4 Å] are present in the crystal.

  4. Estudio de la región rica en Bi2O3 en el sistema binario ZnO-Bi2O3

    Directory of Open Access Journals (Sweden)

    Caballero, A. C.

    2004-08-01

    Full Text Available Ceramic materials based in the ZnO- Bi2O3 system have their principal application as varistors. The binary system ZnO-Bi2O3 is specially relevant to the formation of the microstructure responsable of the varistor behaviour. The study of the different equilibrium phases at high temperatures at the Bi2O3-rich region of the ZnO-Bi2O3 will allow a correct understanding of the microstructural development. Equilibrium phases have been analyzed by XRD, SEM and DTA. Different temperature treatments of samples formulated in the Bi2O3 rich region of the ZnO-Bi2O3 binary system have allowed to determine the phase 19Bi2O3•ZnO as the equilibrium one instead of the 24Bi2O3•ZnO phase.Los materiales cerámicos basados en el sistema binario ZnO-Bi2O3 tienen su principal aplicación en el campo de los varistores. El sistema binario ZnO-Bi2O3 resulta especialmente relevante para la formación de la microestructura funcional de varistores. La determinación de las diferentes fases en equilibrio a alta temperatura en la región rica en Bi2O3 en el sistema binario ZnO-Bi2O3 permitirá interpretar correctamente el desarrollo microestructural. El estudio de las fases en equilibrio se ha llevado a cabo mediante difracción de rayos X, microscopía electrónica de barrido (MEB y análisis térmico diferencial (ATD. Tratamientos a diferentes temperaturas, en la zona rica en Bi2O3 del sistema, han permitido determinar la presencia del compuesto 19Bi2O3•ZnO como fase estable en equilibrio, en lugar del compuesto 24Bi2O3•ZnO.

  5. Poly[bis[μ4-N-(2-hydroxyiminopropionyl-N′-(2-oxidoiminopropionylpropane-1,3-diaminato]dimethanolcalciumdicopper(II

    Directory of Open Access Journals (Sweden)

    Valentina A. Kalibabchuk

    2009-09-01

    Full Text Available In the title compound, [CaCu2(C9H13N4O42(CH3OH2]n, the CaII atom lies on an inversion center and is situated in a moderately distorted octahedral environment. The CuII atom is in a distorted square-pyramidal geometry, defined by four N atoms belonging to the amide and oxime groups of the triply deprotonated residue of N,N′-bis(2-hydroxyiminopropanoylpropane-1,3-diamine (H4pap and one oxime O atom from a neighboring Hpap ligand at the apical site, forming a dimeric [Cu2(Hpap2]2− unit. Each dimeric unit connects four Ca atoms and each Ca atom links four [Cu2(Hpap2]2− units through Ca—O(amide bonds, leading to a three-dimensional framework. The crystal structure involves intra- and intermolecular O—H...O hydrogen bonds.

  6. Electrogenerated chemiluminescence of tris(2,2'-bipyridine)ruthenium(II) using N-(3-aminopropyl)diethanolamine as coreactant.

    Science.gov (United States)

    Kitte, Shimeles Addisu; Wang, Chao; Li, Suping; Zholudov, Yuriy; Qi, Liming; Li, Jianping; Xu, Guobao

    2016-10-01

    Coreactant plays a critical role for the application of electrochemiluminescence (ECL). Herein, N-(3-aminopropyl)diethanolamine (APDEA) has been explored as a potential coreactant for enhancing tris(2,2'-bipyridyl)ruthenium(II) ECL. It is much more effective than tripropylamine at gold and platinum electrodes although it has one primary amine group besides a tertiary amine group. The presence of primary amine group and hydroxyl groups in APDEA promotes the oxidation rates of amine and thus remarkably increases ECL intensity. The ECL intensities of the Ru(bpy)3 (2+)/APDEA system are approximately 10 and 36 times stronger than that of Ru(bpy)3 (2+)/tripropylamine system and about 1.6 and 1.14 times stronger than that of Ru(bpy)3 (2+)/N-butyldiethanolamine system at Au and Pt electrodes, respectively. The ECL intensity of the Ru(bpy)3 (2+)/APDEA system is 2.42 times stronger than that of Ru(bpy)3 (2+)/N-butyldiethanolamine at glassy carbon electrodes.

  7. In Silico Identification of Highly Conserved Epitopes of Influenza A H1N1, H2N2, H3N2, and H5N1 with Diagnostic and Vaccination Potential

    Directory of Open Access Journals (Sweden)

    José Esteban Muñoz-Medina

    2015-01-01

    Full Text Available The unpredictable, evolutionary nature of the influenza A virus (IAV is the primary problem when generating a vaccine and when designing diagnostic strategies; thus, it is necessary to determine the constant regions in viral proteins. In this study, we completed an in silico analysis of the reported epitopes of the 4 IAV proteins that are antigenically most significant (HA, NA, NP, and M2 in the 3 strains with the greatest world circulation in the last century (H1N1, H2N2, and H3N2 and in one of the main aviary subtypes responsible for zoonosis (H5N1. For this purpose, the HMMER program was used to align 3,016 epitopes reported in the Immune Epitope Database and Analysis Resource (IEDB and distributed in 34,294 stored sequences in the Pfam database. Eighteen epitopes were identified: 8 in HA, 5 in NA, 3 in NP, and 2 in M2. These epitopes have remained constant since they were first identified (~91 years and are present in strains that have circulated on 5 continents. These sites could be targets for vaccination design strategies based on epitopes and/or as markers in the implementation of diagnostic techniques.