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Sample records for decane

  1. Derived thermodynamic properties for the (ethanol + decane) and (carbon dioxide + ethanol + decane) systems at high pressures

    International Nuclear Information System (INIS)

    Zamora-López, Héctor S.; Galicia-Luna, Luis A.; Elizalde-Solis, Octavio; Hernández-Rosales, Irma P.; Méndez-Lango, Edgar

    2012-01-01

    Highlights: ► Experimental density data are reported for (ethanol + decane) and (ethanol + decane + CO 2 ) mixtures. ► Compressed liquid densities were measured in a vibrating tube densimeter from (313 to 363) K. ► Excess molar volumes for (ethanol + decane) mixtures are positive. ► The presence of carbon dioxide in the (ethanol + decane) mixture causes negative excess molar volumes. - Abstract: Volumetric properties for the binary (ethanol + decane) and ternary (ethanol + decane + carbon dioxide) systems are reported from (313 to 363) K and pressures up to 20 MPa. Compressed liquid densities of both systems were measured in a vibrating tube densimeter at different compositions. Binary mixtures {x 1 ethanol + (1-x 1 ) decane} were prepared at x 1 = 0.0937, 0.1011, 0.2507, 0.4963, 0.7526, 0.9014. Compositions for the ternary system were prepared by varying the ethanol/decane relation and trying to keep constant the presence of carbon dioxide at about 0.2 mole fraction. These were {x 1 ethanol + x 2 decane + (1-x 1 -x 2 ) carbon dioxide} x 1 = 0.0657, 0.1986, 0.4087, 0.6042, 0.7109. Density results were correlated using an empirical model with five parameters. Deviations between experimental and calculated values agree and are within the experimental uncertainty. Isobaric expansivity, isothermal compressibility, thermal pressure coefficient, and internal pressure have been calculated for both binary and ternary systems using the empirical model.

  2. The Decanal Divide: Women in Decanal Roles at U.S. Medical Schools.

    Science.gov (United States)

    Schor, Nina F

    2018-02-01

    To test the hypotheses that women in medical school dean-level (decanal) positions occupy lower-rank and more image- and education-focused positions than men, and that state and woman-led schools have more women in decanal positions. Data were collected on September 10-18, 2016, from Web sites of 136 allopathic, U.S. medical schools accredited by the Liaison Committee on Medical Education and represented on the roster of accredited MD programs in the United States with full accreditation as of June 22, 2016. Statistical significance of differences between comparison groups was assessed using Student t test with P corporate strategy and policy, finance, or government relations. Schools with a woman as dean or interim dean have a higher percentage of decanal positions occupied by women than those with a man as dean or interim dean (P < .05). State and private medical schools do not differ from one another in this regard. Gender stereotypes and models appear to continue to drive the number and roles of women in decanal positions.

  3. Directional selection causes decanalization in a group I ribozyme.

    Science.gov (United States)

    Hayden, Eric J; Weikert, Christian; Wagner, Andreas

    2012-01-01

    A canalized genotype is robust to environmental or genetic perturbations. Canalization is expected to result from stabilizing selection on a well-adapted phenotype. Decanalization, the loss of robustness, might follow periods of directional selection toward a new optimum. The evolutionary forces causing decanalization are still unknown, in part because it is difficult to determine the fitness effects of mutations in populations of organisms with complex genotypes and phenotypes. Here, we report direct experimental measurements of robustness in a system with a simple genotype and phenotype, the catalytic activity of an RNA enzyme. We find that the robustness of a population of RNA enzymes decreases during a period of directional selection in the laboratory. The decrease in robustness is primarily caused by the selective sweep of a genotype that is decanalized relative to the wild-type, both in terms of mutational robustness and environmental robustness (thermodynamic stability). Our results experimentally demonstrate that directional selection can cause decanalization on short time scales, and demonstrate co-evolution of mutational and environmental robustness.

  4. Phase Diagrams of the n-Decane- n-Hexadecane-Cyclododecane, n-Decane-Cyclododecane, and n-Hexadecane-Cyclododecane Systems

    Science.gov (United States)

    Shamitov, A. A.; Garkushin, I. K.; Kolyado, A. V.; Petrov, E. P.

    2018-02-01

    The n-decane- n-hexadecane-cyclododecane, n-decane-cyclododecane, and n-hexadecane-cyclododecane systems are studied by means of low-temperature differential thermal analysis using a differential scanning heat flow calorimeter. It is noted that all studied systems belong to the eutectic type. It is concluded that in the n-decane- n-hexadecane-cyclododecane system, the eutectic composition contains 85.0 wt % n-C10H22, 4.0 wt % n-C16H34, and 11.0 wt % C12H24. It has a melting point of -35.0°C.

  5. Compressed liquid densities for the (n-heptane + n-decane) and (n-octane + n-decane) systems from T = (313 to 363) K

    International Nuclear Information System (INIS)

    Quevedo-Nolasco, Rodolfo; Galicia-Luna, Luis A.; Elizalde-Solis, Octavio

    2012-01-01

    Highlights: → We built an equipment which consists of a variable volume cell and a VTD Anton Paar DMA-HPM. → Compressed liquid densities are reported for n-heptane and n-decane. → Binary (n-heptane or n-octane + n-decane) systems were studied in the whole range of composition. → Derived properties were calculated from experimental data. - Abstract: Densities (p, ρ, T, x 1 ) of two binary n-alkane systems are reported from T = (313 to 363) K in the compressed liquid phase up to 25 MPa over the whole range of composition. The binary mixtures {x 1 n-heptane + (1 - x 1 )n-decane} and {x 1 n-octane + (1 - x 1 )n-decane} were prepared at compositions of (x 1 = 0.0531, 0.2594, 0.5219, 0.777, 0.952), and (x 1 = 0.0616, 0.2801, 0.5314, 0.7736, 0.9623), respectively. A measuring system based on a vibrating tube densimeter, DMA HPM from Anton Paar with data acquisition system was developed in order to obtain experimental densities. Water and nitrogen were used as reference fluids to calibrate the densimeter. Experimental methodology was checked by comparing the n-heptane and n-decane densities against multi-parameter equations proposed in the literature. Differences between both sets of data show a maximum deviation of 0.07%. Excess molar volumes, isothermal compressibility and isobaric thermal expansivity were computed from experimental densities.

  6. Compressed liquid densities for the (n-heptane + n-decane) and (n-octane + n-decane) systems from T = (313 to 363) K

    Energy Technology Data Exchange (ETDEWEB)

    Quevedo-Nolasco, Rodolfo [Laboratorio de Termodinamica, SEPI-ESIQIE, Instituto Politecnico Nacional, UPALM, Ed. Z, Secc. 6, 1ER piso, Lindavista, C.P. 07738 Mexico D.F. (Mexico); Galicia-Luna, Luis A., E-mail: lgalicial@ipn.mx [Laboratorio de Termodinamica, SEPI-ESIQIE, Instituto Politecnico Nacional, UPALM, Ed. Z, Secc. 6, 1ER piso, Lindavista, C.P. 07738 Mexico D.F. (Mexico); Elizalde-Solis, Octavio [Departamento de Ingenieria Quimica Petrolera, ESIQIE, Instituto Politecnico Nacional, UPALM, Edif. 8, 2o piso, Lindavista, C.P. 07738 Mexico D.F. (Mexico)

    2012-01-15

    Highlights: > We built an equipment which consists of a variable volume cell and a VTD Anton Paar DMA-HPM. > Compressed liquid densities are reported for n-heptane and n-decane. > Binary (n-heptane or n-octane + n-decane) systems were studied in the whole range of composition. > Derived properties were calculated from experimental data. - Abstract: Densities (p, {rho}, T, x{sub 1}) of two binary n-alkane systems are reported from T = (313 to 363) K in the compressed liquid phase up to 25 MPa over the whole range of composition. The binary mixtures {l_brace}x{sub 1}n-heptane + (1 - x{sub 1})n-decane{r_brace} and {l_brace}x{sub 1}n-octane + (1 - x{sub 1})n-decane{r_brace} were prepared at compositions of (x{sub 1} = 0.0531, 0.2594, 0.5219, 0.777, 0.952), and (x{sub 1} = 0.0616, 0.2801, 0.5314, 0.7736, 0.9623), respectively. A measuring system based on a vibrating tube densimeter, DMA HPM from Anton Paar with data acquisition system was developed in order to obtain experimental densities. Water and nitrogen were used as reference fluids to calibrate the densimeter. Experimental methodology was checked by comparing the n-heptane and n-decane densities against multi-parameter equations proposed in the literature. Differences between both sets of data show a maximum deviation of 0.07%. Excess molar volumes, isothermal compressibility and isobaric thermal expansivity were computed from experimental densities.

  7. Adsorption of surface functionalized silica nanoparticles onto mineral surfaces and decane/water interface

    International Nuclear Information System (INIS)

    Metin, Cigdem O.; Baran, Jimmie R.; Nguyen, Quoc P.

    2012-01-01

    The adsorption of silica nanoparticles onto representative mineral surfaces and at the decane/water interface was studied. The effects of particle size (the mean diameters from 5 to 75 nm), concentration and surface type on the adsorption were studied in detail. Silica nanoparticles with four different surfaces [unmodified, surface modified with anionic (sulfonate), cationic (quaternary ammonium (quat)) or nonionic (polyethylene glycol (PEG)) surfactant] were used. The zeta potential of these silica nanoparticles ranges from −79.8 to 15.3 mV. The shape of silica particles examined by a Hitachi-S5500 scanning transmission electron microscope (STEM) is quite spherical. The adsorption of all the nanoparticles (unmodified or surface modified) on quartz and calcite surfaces was found to be insignificant. We used interfacial tension (IFT) measurements to investigate the adsorption of silica nanoparticles at the decane/water interface. Unmodified nanoparticles or surface modified ones with sulfonate or quat do not significantly affect the IFT of the decane/water interface. It also does not appear that the particle size or concentration influences the IFT. However, the presence of PEG as a surface modifying material significantly reduces the IFT. The PEG surface modifier alone in an aqueous solution, without the nanoparticles, yields the same IFT reduction for an equivalent PEG concentration as that used for modifying the surface of nanoparticles. Contact angle measurements of a decane droplet on quartz or calcite plate immersed in water (or aqueous nanoparticle dispersion) showed a slight change in the contact angle in the presence of the studied nanoparticles. The results of contact angle measurements are in good agreement with experiments of adsorption of nanoparticles on mineral surfaces or decane/water interface. This study brings new insights into the understanding and modeling of the adsorption of surface-modified silica nanoparticles onto mineral surfaces and

  8. The effect of temperature on the bioventing of soil contaminated with toluene and decane

    NARCIS (Netherlands)

    Malina, G.; Grotenhuis, J.T.C.; Rulkens, W.H.

    1999-01-01

    The effect of temperature on evaporation and biodegradation rates during soil bioventing (SBV) was studied for a mixture of toluene and decane in bench-scale soil columns at a continuous air flow and consecutively at two different flow rates. The effect of temperature on SBV was monitored by GC

  9. Surface tension of heptane, decane, hexadecane, eicosane, and some of their binary mixtures

    DEFF Research Database (Denmark)

    Rolo, Lara I.; Caco, Ana I.; Queimada, Antonio

    2002-01-01

    Surface tension measurements were performed by the Wilhelmy plate method. Measured systems included pure heptane, decane, hexadecane, eicosane, and some of their binary mixtures at temperatures from 293.15 K to 343.15 K with an average absolute deviation of 1.6%. The results were compared with a ...

  10. 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.

  11. Solvation of decane and benzene in mixtures of 1-octanol and N, N-dimethylformamide

    Science.gov (United States)

    Kustov, A. V.; Smirnova, N. L.

    2016-09-01

    The heats of dissolution of decane and benzene in a model system of octanol-1 (OctOH) and N, N-dimethylformamide (DMF) at 308 K are measured using a variable temperature calorimeter equipped with an isothermal shell. Standard enthalpies are determined and standard heat capacities of dissolution in the temperature range of 298-318 K are calculated using data obtained in [1, 2]. The state of hydrocarbon molecules in a binary mixture is studied in terms of the enhanced coordination model (ECM). Benzene is shown to be preferentially solvated by DMF over the range of physiological temperatures. The solvation shell of decane is found to be strongly enriched with 1-octanol. It is obvious that although both hydrocarbons are nonpolar, the presence of the aromatic π-system in benzene leads to drastic differences in their solvation in a lipid-protein medium.

  12. Experimental and modeling study on pyrolysis of n-decane initiated by nitromethane

    KAUST Repository

    Jia, Zhenjian

    2016-01-15

    Initiator could accelerate the rate of hydrocarbon pyrolysis and reduce the required material temperatures for a hypersonic aircraft heat exchanger/reactor. Nitroalkanes were proposed as the effective initiator because of the lower CN bond dissociation energy. In order to investigate the initiation mechanism of nitroalkanes on hydrocarbon pyrolysis, the pyrolysis of n-decane, nitromethane and their binary mixture were carried out at 30, 150 and 760 Torr in a flow reactor with synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). The identified and quantified pyrolysis species include C1C2 alkanes, C2C10 alkenes, C3C6 dialkenes, C2C3 alkynes, nitrogen oxides such as NO and NO2, benzene, and radicals including CH3, C3H3, and C3H5, which shed light on the mechanism of n-decane and nitromethane pyrolysis, as well as the interactions of these two fuels. The experimental results indicate that the addition of nitromethane decreases the initial decomposition temperature of n-decane, and a stronger promotion effect could be obtained as the experimental pressure increases. The distributions of alkanes, alkenes, dialkenes, alkynes and benzene are also influenced by the addition of nitromethane. A detailed kinetic model with 266 species and 1648 reactions was developed and validated against the mole fraction profiles of reactants, major products and important intermediates during the pyrolysis of each fuel and their binary mixture. The satisfactory model prediction to the experimental measurements permits the analysis of the kinetic effect of nitromethane initiation on the pyrolysis of n-decane. So that, the increase of the conversion rate at a lower temperature, the selectivity of decomposition products, and reduction of benzene formation are better understood.

  13. Low temperature oxidation of benzene and toluene in mixture with n-decane.

    Science.gov (United States)

    Herbinet, Olivier; Husson, Benoit; Ferrari, Maude; Glaude, Pierre-Alexandre; Battin-Leclerc, Frédérique

    2013-01-01

    The oxidation of two blends, benzene/ n -decane and toluene/ n -decane, was studied in a jet-stirred reactor with gas chromatography analysis (temperatures from 500 to 1100 K, atmospheric pressure, stoichiometric mixtures). The studied hydrocarbon mixtures contained 75% of aromatics in order to highlight the chemistry of the low-temperature oxidation of these two aromatic compounds which have a very low reactivity compared to large alkanes. The difference of behavior between the two aromatic reactants is highly pronounced concerning the formation of derived aromatic products below 800 K. In the case of benzene, only phenol could be quantified. In the case of toluene, significant amounts of benzaldehyde, benzene, and cresols were also formed, as well as several heavy aromatic products such as bibenzyl, phenylbenzylether, methylphenylbenzylether, and ethylphenylphenol. A comparison with results obtained with neat n -decane showed that the reactivity of the alkane is inhibited by the presence of benzene and, to a larger extent, toluene. An improved model for the oxidation of toluene was developed based on recent theoretical studies of the elementary steps involved in the low-temperature chemistry of this molecule. Simulations using this model were successfully compared with the obtained experimental results.

  14. Isolation and biological activities of decanal, linalool, valencene, and octanal from sweet orange oil.

    Science.gov (United States)

    Liu, Kehai; Chen, Qiulin; Liu, Yanjun; Zhou, Xiaoyan; Wang, Xichang

    2012-11-01

    Product 1 (82.25% valencene), product 2 (73.36% decanal), product 3 (78.12% octanal), and product 4 (90.61% linalool) were isolated from sweet orange oil by combined usage of molecular distillation and column chromatography. The antioxidant activity of sweet orange oil and these products was investigated using 2,2-diphenyl-1-picrylhydrazyl and reducing power assays. In this test, product 1 (82.25% valencene), product 2 (73.36% decanal), and product 4 (90.61% linalool) had antioxidant activity, but lower than sweet orange oil. The antimicrobial activity was investigated in order to evaluate their efficacy against 5 microorganisms. The results showed that sweet orange oil, product 2 (73.36% decanal), product 3 (78.12% octanal), and product 4 (90.61% linalool) had inhibitory and bactericidal effect on the test microorganisms (except Penicillium citrinum). Valencene did not show any inhibitory effect. Saccharomyces cerivisiae was more susceptible, especially to the crude sweet orange oil (minimal inhibitory concentration 6.25 μL/mL). The cytotoxicity was evaluated on Hela cells using the 3-(4,5-dimethyl-thiazol-2-yl)-2,5-diphenyl tetrazolium bromide assay. All test samples showed significant cytotoxicity on the cell lines with IC(50) values much less than 20 μg/mL. © 2012 Institute of Food Technologists®

  15. Interfacial tensions of binary mixtures of ethanol with octane, decane, dodecane, and tetradecane

    International Nuclear Information System (INIS)

    Mejia, Andres; Cartes, Marcela; Segura, Hugo

    2011-01-01

    Highlights: → Experimental interfacial tensions in binary mixtures with aneotropic behavior. → Experimental interfacial tensions for ethanol + hydrocarbon mixtures. → Aneotropic displacement in ethanol mixtures. - Abstract: This contribution is devoted to the experimental characterization of interfacial tensions of a representative group of binary mixtures pertaining to the (ethanol + linear hydrocarbon) series (i.e. octane, decane, dodecane, and tetradecane). Experimental measurements were isothermically performed using a maximum differential bubble pressure technique, which was applied over the whole mole fraction range and over the temperature range 298.15 K < T/K < 318.15 K. Experimental results show that the interfacial tensions of (ethanol + octane or decane) negatively deviate from the linear behavior and that sharp minimum points on concentration, or aneotropes, are observed for each isotherm. The interfacial tensions of (ethanol + dodecane or tetradecane), in turn, are characterized by combined deviations from the linear behavior, and inflecting behavior observed on concentration for each isotherm. The experimental evidence also shows that these latter mixtures are close to exhibit aneotropy. For the case of (ethanol + octane or decane) mixtures, aneotropy was clearly induced by the similarity of the interfacial tension values of the constituents. The inflecting behavior of the interfacial tensions of (ethanol + dodecane or tetradecane), in turn, was observed in the vicinity of the coordinates of the critical point of these mixtures, thus pointing to the fact that the quasi-aneotropic singularity that affects these mixtures was provoked by the proximity of an immiscibility gap of the liquid phase. Finally, the experimental data of interfacial tensions were smoothed with the Scott-Myers expansion, from which it is possible to conclude that the observed aneotropic concentrations weakly depend on temperature for all the analyzed mixtures.

  16. Improved predictive model for n-decane kinetics across species, as a component of hydrocarbon mixtures.

    Science.gov (United States)

    Merrill, E A; Gearhart, J M; Sterner, T R; Robinson, P J

    2008-07-01

    n-Decane is considered a major component of various fuels and industrial solvents. These hydrocarbon products are complex mixtures of hundreds of components, including straight-chain alkanes, branched chain alkanes, cycloalkanes, diaromatics, and naphthalenes. Human exposures to the jet fuel, JP-8, or to industrial solvents in vapor, aerosol, and liquid forms all have the potential to produce health effects, including immune suppression and/or neurological deficits. A physiologically based pharmacokinetic (PBPK) model has previously been developed for n-decane, in which partition coefficients (PC), fitted to 4-h exposure kinetic data, were used in preference to measured values. The greatest discrepancy between fitted and measured values was for fat, where PC values were changed from 250-328 (measured) to 25 (fitted). Such a large change in a critical parameter, without any physiological basis, greatly impedes the model's extrapolative abilities, as well as its applicability for assessing the interactions of n-decane or similar alkanes with other compounds in a mixture model. Due to these limitations, the model was revised. Our approach emphasized the use of experimentally determined PCs because many tissues had not approached steady-state concentrations by the end of the 4-h exposures. Diffusion limitation was used to describe n-decane kinetics for the brain, perirenal fat, skin, and liver. Flow limitation was used to describe the remaining rapidly and slowly perfused tissues. As expected from the high lipophilicity of this semivolatile compound (log K(ow) = 5.25), sensitivity analyses showed that parameters describing fat uptake were next to blood:air partitioning and pulmonary ventilation as critical in determining overall systemic circulation and uptake in other tissues. In our revised model, partitioning into fat took multiple days to reach steady state, which differed considerably from the previous model that assumed steady-state conditions in fat at 4 h post

  17. Heterogeneous Nucleation of Methane Hydrate in a Water-Decane-Methane Emulsion

    Science.gov (United States)

    Shestakov, V. A.; Kosyakov, V. I.; Manakov, A. Yu.; Stoporev, A. S.; Grachev, E. V.

    2018-07-01

    Heterogeneous nucleation in disperse systems with metastable disperse phases plays an important role in the mechanisms of environmental and technological processes. The effect the concentration and activity of particles that initiate the formation of a new phase have on nucleation processes in such systems is considered. An approach is proposed that allows construction of a spectrum of particle activity characterizing the features of nucleation in a sample, based on the fraction of crystallized droplets depending on the level of supercooling and the use of Weibull's distribution. The proposed method is used to describe experimental data on the heterogeneous nucleation of methane hydrate in an emulsion in a water-decane-methane system.

  18. Dynamic viscosity modeling of methane plus n-decane and methane plus toluene mixtures: Comparative study of some representative models

    DEFF Research Database (Denmark)

    Baylaucq, A.; Boned, C.; Canet, X.

    2005-01-01

    Viscosity measurements of well-defined mixtures are useful in order to evaluate existing viscosity models. Recently, an extensive experimental study of the viscosity at pressures up to 140 MPa has been carried out for the binary systems methane + n-decane and methane toluene, between 293.15 and 3...

  19. Surface tension of decane binary and ternary mixtures with eicosane, docosane, and tetracosane

    DEFF Research Database (Denmark)

    Queimada, Antonio; Cao, A.I.; Marrucho, I.M.

    2005-01-01

    -C24H50 and the ternary n-C10H22 + n-C20H42 + n-C24H50 were measured from 293.15 K (or above the solution melting temperature) up to 343.15 K. An average absolute deviation of 1.3% was obtained in comparison with pure component literature data. No mixture information for the reported systems was found......A tensiometer operating on the Wilhelmy plate method was employed to measure liquid-vapor interfacial tensions of three binary mixtures and one ternary mixture of decane with eicosane, docosane, and tetracosane. Tensions of binary mixtures n-C10H22 + n-C20H42, n-C10H22 + n-C22H46, and n-C10H22 + n...

  20. Thermodynamic Studies of Decane on Boron Nitride and Graphite Substrates Using Synchrotron Radiation and Molecular Dynamics Simulations

    Science.gov (United States)

    Strange, Nicholas; Arnold, Thomas; Forster, Matthew; Parker, Julia; Larese, J. Z.; Diamond Light Source Collaboration; University of Tennessee Team

    2014-03-01

    Hexagonal boron nitride (hBN) has a lattice structure similar to that of graphite with a slightly larger lattice parameter in the basal plane. This, among other properties, makes it an excellent substrate in place of graphite, eliciting some important differences. This work is part of a larger effort to examine the interaction of alkanes with magnesium oxide, graphite, and boron nitride surfaces. In our current presentation, we will discuss the interaction of decane with these surfaces. Decane exhibits a fully commensurate structure on graphite and hBN at monolayer coverages. In this particular experiment, we have examined the monolayer structure of decane adsorbed on the basal plane of hBN using synchrotron x-ray radiation at Diamond Light Source. Additionally, we have examined the system experimentally with volumetric isotherms as well as computationally using molecular dynamics simulations. The volumetric isotherms allow us to calculate properties which provide important information about the adsorbate's interaction with not only neighboring molecules, but also the interaction with the adsorbent boron nitride.

  1. Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge.

    Science.gov (United States)

    Xu, Shijing; Wang, Jingyao; Wu, Jiazhong; Liu, Qingjie; Sun, Chengzhen; Bai, Bofeng

    2018-04-19

    Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm 2 , the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities.

  2. Small-angle light scattering studies of dense AOT-water-decane microemulsions

    International Nuclear Information System (INIS)

    Micali, N.; Trusso, S.; Mallamace, F.; Chen, S.H.

    1996-01-01

    It is performed extensive studies of a three-component microemulsion system composed of AOT-water-decane using small-angle light scattering (SALS). The small-angle scattering intensities are measured in the angular interval 0.001-0.1 radians, corresponding to a Bragg wave number range of 0.14 μm -1 -1 . The measurements were made by changing temperature and volume fraction φ of the dispersed phase in the range 0.65< φ < 0.75. All samples have a fixed water-to-AOT molar ratio, w [water[/[AOT[ = 40.8, in order to keep the same average droplet size in the stable one-phase region. With the SALS technique it is observed all the phase boundaries of a very complex phase diagram with a percolation line and many structural organizations within it. It is observed at the percolation transition threshold, a scaling behavior of the intensity data. In addition it is described in detail a structural transition from a droplet microemulsion to a bi continuous one a suggested by a recent small-angle neutron scattering experiment. From the data analysis it is show that both the percolation phenomenon and this novel structural transition are described from a large-scale aggregation between microemulsion droplets

  3. Improved Stabilities of Immobilized Glucoamylase on Functionalized Mesoporous Silica Synthesised using Decane as Swelling Agent

    Directory of Open Access Journals (Sweden)

    Reni George

    2013-06-01

    Full Text Available Ordered mesoporous silica, with high porosity was used to immobilize glucoamylase via adsorption and covalent binding. Immobilization of glucoamylase within mesoporous silica was successfully achieved, resulting in catalytically high efficiency during starch hydrolysis. In this study, mesoporous silica was functionalized by co-condensation of tetraethoxysilane (TEOS with organosilane (3-aminopropyl triethoxysilane (APTES in a wide range of molar ratios of APTES: TEOS in the presence of triblock copolymer P123 under acidic hydrothermal conditions. The prepared materials were characterized by Small angle XRD, Nitrogen adsorption – desorption and 29Si MAS solid state NMR. N2 desorption studies showed that pore size distribution decreases due to pore blockage after functionalization and enzyme immobilization. Small angle XRD and 29Si MAS NMR study reveals mesophase formation and Si environment of the materials. The main aim of our work was to study the catalytical activity, effect of pH, temperature storage stability and reusability of covalently bound glucoamylase on mesoporous silica support. The result shows that the stability of enzyme can be enhanced by immobilization.  © 2013 BCREC UNDIP. All rights reservedReceived: 3rd December 2012; Revised: 4th April 2013; Accepted: 20th April 2013[How to Cite: George, R., Gopinath, S., Sugunan, S. (2013. Improved Stabilities of Immobilized Glucoamyl-ase on Functionalized Mesoporous Silica Synthesized using Decane as Swelling Agent. Bulletin of Chemical Reaction Engineering & Catalysis, 8 (1: 70-76. (doi:10.9767/bcrec.8.1.4208.70-76][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.8.1.4208.70-76] | View in  |

  4. Minimum miscibility pressure estimation for a CO{sub 2}/n-decane system in porous media by X-ray CT

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yu; Jiang, Lanlan; Tang, Lingyue; Song, Yongchen; Zhao, Jiafei; Zhang, Yi; Wang, Dayong; Yang, Mingjun [Dalian University of Technology, Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, Dalian (China)

    2015-07-15

    Accurate determination of gas-fluid miscibility conditions is important to optimize the displacement efficiency during CO{sub 2}-enhanced oil recovery. This paper presents a new technique to investigate the phase behavior and to estimate the minimum miscibility pressure (MMP) of a CO{sub 2}/n-decane system using an X-ray computerized tomography (CT) scanner. CT scans of the CO{sub 2}/n-decane system are taken at various pressures during the experiments. The image intensity values taken from the CT images have a linear relationship with the densities of the measured objects; therefore, we can estimate the miscible point of CO{sub 2} and n-decane because the difference between the intensity values for each phase decays to zero as the pressure increases toward the MMP. This paper provides experimental evidence for the validity of the new CT method by comparing the results with previous studies and presents an application of the method to investigate the MMP of the CO{sub 2}/n-decane system in porous media. Additionally, the influence of porous media on the equilibrium state when the CO{sub 2}/n-decane system is close to miscibility is discussed. (orig.)

  5. Synthesis and Anticancer Activity of New 1-Thia-4-azaspiro[4.5]decane, Their Derived Thiazolopyrimidine and 1,3,4-Thiadiazole Thioglycosides

    Directory of Open Access Journals (Sweden)

    Eman M. Flefel

    2017-01-01

    Full Text Available New 1-thia-azaspiro[4.5]decane derivatives, their derived thiazolopyrimidine and 1,3,4-thiadiazole compounds were synthesized. The thioglycoside derivatives of the synthesized (1,3,4-thiadiazolylthiaazaspiro[4.5]decane and thiazolopyrimidinethione compounds were synthesized by glycosylation reactions using acetylated glycosyl bromides. The anticancer activity of synthesized compounds was studied against the cell culture of HepG-2 (human liver hepatocellular carcinoma, PC-3 (human prostate adenocarcinoma and HCT116 (human colorectal carcinoma cell lines and a number of compounds showed moderate to high inhibition activities.

  6. Hydroperoxide Measurements During Low-Temperature Gas-Phase Oxidation of n-Heptane and n-Decane

    KAUST Repository

    Rodriguez, Anne

    2017-02-13

    A wide range of hydroperoxides (C-C alkyl hydroperoxides, C-C alkenyl hydroperoxides, C ketohydroperoxides, and hydrogen peroxide (HO)), as well as ketene and diones, have been quantified during the gas-phase oxidation of n-heptane. Some of these species, as well as C alkenyl hydroperoxides and ketohydroperoxides, were also measured during the oxidation of n-decane. These experiments were performed using an atmospheric-pressure jet-stirred reactor at temperatures from 500 to 1100 K and one of three analytical methods, time-of-flight mass spectrometry combined with tunable synchrotron photoionization with a molecular beam sampling: time-of-flight mass spectrometry combined with laser photoionization with a capillary tube sampling, continuous wave cavity ring-down spectroscopy with sonic probe sampling. The experimental temperature at which the maximum mole fraction is observed increases significantly for alkyl hydroperoxides, alkenyl hydroperoxides, and then more so again for hydrogen peroxide, compared to ketohydroperoxides. The influence of the equivalence ratio from 0.25 to 4 on the formation of these peroxides has been studied during n-heptane oxidation. The up-to-date detailed kinetic oxidation models for n-heptane and for n-decane found in the literature have been used to discuss the possible pathways by which these peroxides, ketene, and diones are formed. In general, the model predicts well the reactivity of the two fuels, as well as the formation of major intermediates. (Figure Presented).

  7. Hydroperoxide Measurements During Low-Temperature Gas-Phase Oxidation of n-Heptane and n-Decane

    KAUST Repository

    Rodriguez, Anne; Herbinet, Olivier; Meng, Xiangzan; Fittschen, Christa; Wang, Zhandong; Xing, Lili; Zhang, Lidong; Battin-Leclerc, Fré dé rique

    2017-01-01

    A wide range of hydroperoxides (C-C alkyl hydroperoxides, C-C alkenyl hydroperoxides, C ketohydroperoxides, and hydrogen peroxide (HO)), as well as ketene and diones, have been quantified during the gas-phase oxidation of n-heptane. Some of these species, as well as C alkenyl hydroperoxides and ketohydroperoxides, were also measured during the oxidation of n-decane. These experiments were performed using an atmospheric-pressure jet-stirred reactor at temperatures from 500 to 1100 K and one of three analytical methods, time-of-flight mass spectrometry combined with tunable synchrotron photoionization with a molecular beam sampling: time-of-flight mass spectrometry combined with laser photoionization with a capillary tube sampling, continuous wave cavity ring-down spectroscopy with sonic probe sampling. The experimental temperature at which the maximum mole fraction is observed increases significantly for alkyl hydroperoxides, alkenyl hydroperoxides, and then more so again for hydrogen peroxide, compared to ketohydroperoxides. The influence of the equivalence ratio from 0.25 to 4 on the formation of these peroxides has been studied during n-heptane oxidation. The up-to-date detailed kinetic oxidation models for n-heptane and for n-decane found in the literature have been used to discuss the possible pathways by which these peroxides, ketene, and diones are formed. In general, the model predicts well the reactivity of the two fuels, as well as the formation of major intermediates. (Figure Presented).

  8. In Situ Raman Spectroscopic Observations of Gas-Saturated Rising Oil droplets: Simulation with Decane as an Oil-Equivalent Substitute

    Science.gov (United States)

    Peltzer, E. T.; Walz, P. M.; Brewer, P. G.

    2016-02-01

    Oil droplets rising from the sea floor, whether from seeps or well leakage, contain very large quantities of dissolved gas that profoundly affects their density and critical oil-water interfacial characteristics. The primary dissolved gas is methane which may be up to 30% of the molar volume. This can create a hydrate skin as the methane gas is shed from the oil as it rises through the water column, thus decreasing in pressure and increasing in temperature, and steadily changing the rising droplet buoyancy. We have explored this phenomenon by executing controlled ROV based experiments with a "bubble cup" technique in which a small volume of gas saturated decane (saturated with pure methane, a mix of methane and nitrogen , or a mix of methane and CO2) is interrogated by laser Raman spectroscopy. The use of decane as an oil "substitute" is required since natural oil samples are highly fluorescent due to the presence of polycyclic aromatic hydrocarbons. We have devised Matlab techniques for extracting the spectroscopic dissolved methane signal from the thicket of decane peaks that surround it. We have directly observed the rate at which gases are lost from the "oil" per unit area at depths in the water column that are both within and outside the hydrate forming phase boundary. We have compared the behavior of both a non-hydrate forming dissolved gas (nitrogen) with CO2 where the hydrate phase boundary is at significantly shallower depth. The results indicate complex interfacial behavior and physical chemistry. We did not observe direct gas bubble formation on the decane outer surface but did observe gas bubble formation within the oil droplets as they rose through the water column. Because there are significant energy barriers for homogeneous bubble formation within the decane phase, we took this as evidence of significant gas super-saturation within the oil droplet. The gas loss rates increased significantly in all cases when the hydrate phase boundary was crossed.

  9. The calculation of viscosity of liquid n-decane and n-hexadecane by the Green-Kubo method

    Science.gov (United States)

    Cui, S. T.; Cummings, P. T.; Cochran, H. D.

    This short commentary presents the result of long molecular dynamics simulation calculations of the shear viscosity of liquid n-decane and n-hexadecane using the Green-Kubo integration method. The relaxation time of the stress-stress correlation function is compared with those of rotation and diffusion. The rotational and diffusional relaxation times, which are easy to calculate, provide useful guides for the required simulation time in viscosity calculations. Also, the computational time required for viscosity calculations of these systems by the Green-Kubo method is compared with the time required for previous non-equilibrium molecular dynamics calculations of the same systems. The method of choice for a particular calculation is determined largely by the properties of interest, since the efficiencies of the two methods are comparable for calculation of the zero strain rate viscosity.

  10. Mercury-induced fragmentation of n-decane and n-undecane in positive mode ion mobility spectrometry.

    Science.gov (United States)

    Gunzer, F

    2015-09-21

    Ion mobility spectrometry is a well-known technique for trace gas analysis. Using soft ionization techniques, fragmentation of analytes is normally not observed, with the consequence that analyte spectra of single substances are quite simple, i.e. showing in general only one peak. If the concentration is high enough, an extra cluster peak involving two analyte molecules can often be observed. When investigating n-alkanes, different results regarding the number of peaks in the spectra have been obtained in the past using this spectrometric technique. Here we present results obtained when analyzing n-alkanes (n-hexane to n-undecane) with a pulsed electron source, which show no fragmentation or clustering at all. However, when investigating a mixture of mercury and an n-alkane, a situation quite typical in the oil and gas industry, a strong fragmentation and cluster formation involving these fragments has been observed exclusively for n-decane and n-undecane.

  11. Remarkable promoting effect of rhodium on the catalytic performance of Ag/Al2O3 for the selective reduction of NO with decane

    International Nuclear Information System (INIS)

    Sato, Kazuhito; Yoshinari, Tomohiro; Kintaichi, Yoshiaki; Haneda, Masaaki; Hamada, Hideaki

    2003-01-01

    The addition of small amounts of rhodium enhanced the activity of Ag/Al 2 O 3 catalyst for the selective reduction of NO with decane at low temperatures. The Rh-promoted Ag/Al 2 O 3 showed its high performance even in the presence of low concentrations of SO 2 . Based on the catalytic activity for elementary reactions, it was suggested that the role of added rhodium is to enhance the reaction between NO x and decane-derived species, leading to NO reduction. Catalyst characterization by UV-Vis spectroscopy indicated that the major silver species on Rh-promoted Ag/Al 2 O 3 is Ag nn δ+ clusters, which would be responsible for the high activity. FT-IR measurements revealed that the formation rate of isocyanate species, which is a major reaction intermediate, is higher on Rh-promoted Ag/Al 2 O 3

  12. Determination of gaseous and particulate carbonyls (glycolaldehyde, hydroxyacetone, glyoxal, methylglyoxal, nonanal and decanal in the atmosphere at Mt. Tai

    Directory of Open Access Journals (Sweden)

    K. Kawamura

    2013-05-01

    Full Text Available Gaseous and particulate semi-volatile carbonyl compounds were determined every three hours in the atmosphere of Mount Tai (elevation, 1534 m in the North China Plain during 2–5, 23–24 and 25 June 2006 under clear sky conditions. Using a two-step filter cartridge in a series, particulate carbonyls were first collected on a quartz filter and then gaseous carbonyls were collected on a quartz filter impregnated with O-benzylhydroxylamine (BHA. After the two-step derivatization with BHA and N,O-Bis(trimethylsilyltrifluoroacetamide (BSTFA, carbonyl derivatives were measured using a gas chromatography. The gaseous concentrations were obtained as follow: glycolaldehyde (range 0–826 ng m−3, average 303 ng m−3, hydroxyacetone (0–579 ng m−3, 126 ng m−3, glyoxal (46–1200 ng m−3, 487 ng m−3, methylglyoxal (88–2690 ng m−3, 967 ng m−3, n-nonanal (0–500 ng m−3, 89 ng m−3, and n-decanal (0–230 ng m−3, 39 ng m−3. These concentrations are among the highest ever reported in the urban and forest atmosphere. We found that gaseous α-dicarbonyls (glyoxal and methylglyoxal are more than 20 times more abundant than particulate carbonyls and that glycolaldehyde is one order of magnitude more abundant than in aerosol phase. In contrast, hydroxyacetone and normal aldehydes (nonanal and decanal are equally present in both phases. Time-resolved variations of carbonyls did not show any a clear diurnal pattern, except for hydroxyacetone. We found that glyoxal, methylglyoxal and glycolaldehyde positively correlated with levoglucosan (a tracer of biomass burning, suggesting that a contribution from field burning of agricultural wastes (wheat crops is significant for the bifunctional carbonyls in the atmosphere of Mt. Tai. Upward transport of the pollutants to the mountaintop from the low lands in the North China Plain is a major process to control the distributions of carbonyls in the upper atmosphere over Mt. Tai.

  13. Phase composition and saturated liquid properties in binary and ternary systems containing carbon dioxide, n-decane, and n-tetradecane

    International Nuclear Information System (INIS)

    Kariznovi, Mohammad; Nourozieh, Hossein; Abedi, Jalal

    2013-01-01

    Highlights: ► Binary and ternary systems of (carbon dioxide + n-decane + n-tetradecane) at 323.2 K. ► Isothermal phase properties measurements over wide range of pressure (1 to 6) MPa. ► Experimental measurements, density, viscosity, and composition, using a designed PVT apparatus. ► The experimental data were correlated using two equations of state. ► The interaction parameters and the volume shift values from the experimental data on the binary pairs. - Abstract: Experimental phase equilibrium data have been measured for the binary and ternary systems containing (carbon dioxide, n-decane, and n-tetradecane) at 323.2 K over the pressure range (1 to 6) MPa using a designed PVT apparatus. The measurements presented in this paper were undertaken to determine liquid phase composition and liquid saturated properties (density and viscosity) when a liquid hydrocarbon (n-decane, n-tetradecane, and their mixtures) was saturated with carbon dioxide. The generated data for compositions and densities were correlated with the Soave–Redlich–Kwong (SRK) and Peng–Robinson (PR) equations of state (EOS). The adjustment of binary interaction parameters and volume translation technique has been employed to correlate the experimental compositions and densities. The adjusted binary parameters from the data of binary pairs (carbon dioxide + n-decane) and (carbon dioxide + n-tetradecane) were used to correlate the generated ternary data. The calculated ternary compositions were found to be in good agreement with the experimental data using the binary parameters from the data of binary pairs for both EOSs. The results for the density of saturated liquid phase indicated that the volume translation should be applied to all components in the binary and ternary systems to describe accurately the saturated liquid densities for mixtures.

  14. N-decane-air end-gas auto-ignition induced by flame propagation in a constant volume chamber: Influence of compression history

    OpenAIRE

    Quintens , Hugo; Strozzi , Camille; Zitoun , Ratiba; Bellenoue , Marc

    2017-01-01

    International audience; The present study aims at characterizing the end-gas auto-ignition of n-decane – air mixtures induced by a flame propagation in a constant volume chamber. A numerical tool is developed, and the study is first focused on academic compressions, e.g. at constant rate of pressure rise. Thermodynamic conditions of transition from deflagration to auto-ignition are first determined, and the involved physical processes are highlighted. A square section combustion chamber is th...

  15. Small-angle neutron scattering study of the n-decane effect on the bilayer thickness in extruded unilamellar dioleoylphosphatidylcholine liposomes.

    Science.gov (United States)

    Uhríková, D; Balgavý, P; Kucerka, N; Islamov, A; Gordeliy, V; Kuklin, A

    2000-12-15

    Dioleoylphosphatidylcholine (DOPC) and n-decane were mixed and hydrated afterwards in an excess of heavy water at 1 wt.% of DOPC. From this dispersion, unilamellar liposomes were prepared by extrusion through polycarbonate filter with 500-A pores. Small-angle neutron scattering (SANS) was conducted on these liposomes. From the Kratky-Porod plot ln[I(Q)Q2] vs. Q2 of SANS intensity I(Q) in the range of scattering vectors Q corresponding to the interval 0.001 A(-2) < or = Q2 < or = 0.006 A(-2), the liposome bilayer radius of gyration Rg and the bilayer thickness parameter d(g) = 12(0.5)Rg were obtained. The values of d(g) indicated that the bilayer thickness is within the experimental error constant up to n-decane/DOPC approximately 0.5 molar ratio, and then increases by 2.4 +/- 1.3 A up to n-decane/DOPC = 1.2 molar ratio.

  16. Thermogravimetric study of thermal decontamination of soils polluted by hexachlorobenzene, 4-chlorobiphenyl, naphthalene, or n-decane.

    Science.gov (United States)

    Risoul, V; Pichon, C; Trouvé, G; Peters, W A; Gilot, P; Prado, G

    1999-02-15

    To determine decontamination behavior as affected by temperature, shallow beds of a clay-rich, a calcerous, and a sedimentary soil, artificially polluted with hexachlorobenzene, 4-chlorobiphenyl, naphthalene, or n-decane, were separately heated at 5 degrees C min-1 in a thermogravimetric analyzer. Temperatures for deep cleaning of the calcerous and the sedimentary soil increased with increasing boiling point (bp) of the aromatic contaminants, but removal efficiencies still approached 100% well below the bp. Decontamination rates were therefore modelled according to a pollutant evaporation-diffusion transport model. For the calcerous and sedimentary soils, this model reasonably correlated removal of roughly the first 2/3 of the naphthalene, but gave only fair predictions for hexachlorobenzene and 4-chlorobiphenyl. It was necessary to heat the clay soil above the aromatics bp to achieve high decontamination efficiencies. Weight loss data imply that for temperatures from near ambient to as much as 150 degrees C, interactions of each aromatic with the clay soil, or its decomposition products, result in lower net volatilization of the contaminated vs. neat clay. A similar effect was observed in heating calcerous soil polluted with hexachlorobenzene from near ambient to about 140 degrees C. Decontamination mechanisms remain to be established, although the higher temperatures needed to remove aromatics from the clay may reflect a more prominent role for surface desorption than evaporation. This would be consistent with our estimates that the clay can accommodate all of the initial pollutant loadings within a single surface monolayer, whereas the calcerous and sedimentary soils cannot.

  17. Corrosion Behaviour of Mg Alloys in Various Basic Media: Application of Waste Encapsulation of Fuel Decanning from UNGG Nuclear Reactor

    Science.gov (United States)

    Lambertin, David; Frizon, Fabien; Blachere, Adrien; Bart, Florence

    The dismantling of UNGG nuclear reactor generates a large volume of fuel decanning. These materials are based on Mg-Zr alloy. The dismantling strategy could be to encapsulate these wastes into an ordinary Portland cement (OPC) or geopolymer (aluminosilicate material) in a form suitable for storage. Studies have been performed on Mg or Mg-Al alloy in basic media but no data are available on Mg-Zr behaviour. The influence of representative pore solution of both OPC and geopolymer with Mg-Zr alloy has been studied on corrosion behaviour. Electrochemical methods have been used to determine the corrosion densities at room temperature. Results show that the corrosion densities of Mg-Zr alloy in OPC solution is one order of magnitude more important than in a geopolymer solution environment and the effect of an inhibiting agent has been undertaken with Mg-Zr alloy. Evaluation of corrosion hydrogen production during the encapsulation of Mg-Zr alloy in both OPC and geopolymer has also been done.

  18. Electrokinetic detection for X-ray spectra of weakly interacting liquids: n-decane and n-nonane

    International Nuclear Information System (INIS)

    Lam, Royce K.; Smith, Jacob W.; Sheardy, Alex T.; Rizzuto, Anthony M.; Saykally, Richard J.; Shih, Orion; Prendergast, David

    2014-01-01

    The introduction of liquid microjets into soft X-ray absorption spectroscopy enabled the windowless study of liquids by this powerful atom-selective high vacuum methodology. However, weakly interacting liquids produce large vapor backgrounds that strongly perturb the liquid signal. Consequently, solvents (e.g., hydrocarbons, ethers, ketones, etc.) and solutions of central importance in chemistry and biology have been inaccessible by this technology. Here we describe a new detection method, upstream detection, which greatly reduces the vapor phase contribution to the X-ray absorption signal while retaining important advantages of liquid microjet sample introduction (e.g., minimal radiation damage). The effectiveness of the upstream detection method is demonstrated in this first study of room temperature liquid hydrocarbons: n-nonane and n-decane. Good agreement with first principles’ calculations indicates that the eXcited electron and Core Hole theory adequately describes the subtle interactions in these liquids that perturb the electronic structure of the unoccupied states probed in core-level experiments

  19. Electrokinetic detection for X-ray spectra of weakly interacting liquids: n-decane and n-nonane

    Science.gov (United States)

    Lam, Royce K.; Shih, Orion; Smith, Jacob W.; Sheardy, Alex T.; Rizzuto, Anthony M.; Prendergast, David; Saykally, Richard J.

    2014-06-01

    The introduction of liquid microjets into soft X-ray absorption spectroscopy enabled the windowless study of liquids by this powerful atom-selective high vacuum methodology. However, weakly interacting liquids produce large vapor backgrounds that strongly perturb the liquid signal. Consequently, solvents (e.g., hydrocarbons, ethers, ketones, etc.) and solutions of central importance in chemistry and biology have been inaccessible by this technology. Here we describe a new detection method, upstream detection, which greatly reduces the vapor phase contribution to the X-ray absorption signal while retaining important advantages of liquid microjet sample introduction (e.g., minimal radiation damage). The effectiveness of the upstream detection method is demonstrated in this first study of room temperature liquid hydrocarbons: n-nonane and n-decane. Good agreement with first principles' calculations indicates that the eXcited electron and Core Hole theory adequately describes the subtle interactions in these liquids that perturb the electronic structure of the unoccupied states probed in core-level experiments.

  20. Electrokinetic detection for X-ray spectra of weakly interacting liquids: n-decane and n-nonane

    Energy Technology Data Exchange (ETDEWEB)

    Lam, Royce K.; Smith, Jacob W.; Sheardy, Alex T.; Rizzuto, Anthony M.; Saykally, Richard J., E-mail: saykally@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Shih, Orion [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Prendergast, David [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-06-21

    The introduction of liquid microjets into soft X-ray absorption spectroscopy enabled the windowless study of liquids by this powerful atom-selective high vacuum methodology. However, weakly interacting liquids produce large vapor backgrounds that strongly perturb the liquid signal. Consequently, solvents (e.g., hydrocarbons, ethers, ketones, etc.) and solutions of central importance in chemistry and biology have been inaccessible by this technology. Here we describe a new detection method, upstream detection, which greatly reduces the vapor phase contribution to the X-ray absorption signal while retaining important advantages of liquid microjet sample introduction (e.g., minimal radiation damage). The effectiveness of the upstream detection method is demonstrated in this first study of room temperature liquid hydrocarbons: n-nonane and n-decane. Good agreement with first principles’ calculations indicates that the eXcited electron and Core Hole theory adequately describes the subtle interactions in these liquids that perturb the electronic structure of the unoccupied states probed in core-level experiments.

  1. Cu-ZSM-5 zeolite highly active in reduction of NO with decane - Effect of zeolite structural parameters on the catalyst performance

    Czech Academy of Sciences Publication Activity Database

    Čapek, Libor; Dědeček, Jiří; Wichterlová, Blanka; Cider, L.; Jobson, E.; Tokarová, V.

    2005-01-01

    Roč. 60, 3-4 (2005), s. 147-153 ISSN 0926-3373 R&D Projects: GA ČR GD203/03/H140; GA AV ČR 1ET400400413 Grant - others:European Union(XE) GR5D-CT2001-00595 Institutional research plan: CEZ:AV0Z40400503 Keywords : Cu-ZSM-5 * NO reduction * SCR-NOx * lean burn conditions * decane Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.809, year: 2005

  2. Mollebenzylanols A and B, Highly Modified and Functionalized Diterpenoids with a 9-Benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane Core from Rhododendron molle.

    Science.gov (United States)

    Zhou, Junfei; Liu, Junjun; Dang, Ting; Zhou, Haofeng; Zhang, Hanqi; Yao, Guangmin

    2018-04-06

    Two highly modified and functionalized diterpenoids, mollebenzylanols A (1) and B (2), and a known grayanane diterpenoid rhodojaponin III (3) were isolated from Rhododendron molle. Their structures were determined by spectroscopic data analysis, an electronic circular dichroism (ECD) exciton chirality method, ECD calculations, and X-ray diffraction analysis of the p-bromobenzoate ester of 1 (1a). Compounds 1 and 2 possess an unprecedented diterpene carbon skeleton featuring a unique 9-benzyl-8,10-dioxatricyclo[5.2.1.0 1,5 ]decane core, and their plausible biosynthetic pathways are proposed. Their PTP1B inhibitory activity and modes of action were investigated.

  3. Adsorption Properties of Hydrocarbons (n-Decane, Methyl Cyclohexane and Toluene on Clay Minerals: An Experimental Study

    Directory of Open Access Journals (Sweden)

    Jie Zhang

    2017-10-01

    Full Text Available Adsorption of hydrocarbons may significantly affect hydrocarbon migration in unconventional reservoirs. Clay minerals form the primary adsorbent surfaces for hydrocarbons adsorbed in mudstone/shale. To study the adsorption properties of hydrocarbons (n-decane (C10H22, methyl cyclohexane (C7H14 and toluene (C7H8 on clay minerals (i.e., cookeite, ripidolite, kaolinite, illite, illite/smectite mixed-layer, Na-montmorillonite and Ca-montmorillonite, hydrocarbon vapor adsorption (HVA tests were conducted at 298.15 K. The results showed that (i the adsorption amounts of C10H22, C7H14 and C7H8 ranged from 0.45–1.03 mg/m2, 0.28–0.90 mg/m2 and 0.16–0.53 mg/m2, respectively; (ii for cookeite, ripidolite and kaolinite, the adsorption capacity of C10H22 was less than C7H14, which was less than C7H8; (iii for illite, Na-montmorillonite and Ca-montmorillonite, the adsorption capacity of C10H22 was greater than that of C7H8, and the adsorption capacity of C7H14 was the lowest; (iv for an illite/smectite mixed-layer, C7H14 had the highest adsorption capacity, followed by C10H22, and C7H8 had the lowest capacity. Adsorption properties were correlated with the microscopic parameters of pores in clay minerals and with experimental pressure. Finally, the weighted average method was applied to evaluate the adsorption properties of C10H22, C7H14 and C7H8 on clay minerals in oil-bearing shale from the Shahejie Formation of Dongying Sag in the Bohai Bay Basin, China. For these samples, the adsorbed amounts of C7H14 ranged from 18.03–28.02 mg/g (mean 23.33 mg/g, which is larger than that of C10H22, which ranges from 15.40–21.72 mg/g (mean 18.82 mg/g. The adsorption capacity of C7H8 was slightly low, ranging from 10.51–14.60 mg/g (mean 12.78 mg/g.

  4. Tribochemical synthesis of nano-lubricant films from adsorbed molecules at sliding solid interface: Tribo-polymers from α-pinene, pinane, and n-decane

    Science.gov (United States)

    He, Xin; Barthel, Anthony J.; Kim, Seong H.

    2016-06-01

    The mechanochemical reactions of adsorbed molecules at sliding interfaces were studied for α-pinene (C10H16), pinane (C10H18), and n-decane (C10H22) on a stainless steel substrate surface. During vapor phase lubrication, molecules adsorbed at the sliding interface could be activated by mechanical shear. Under the equilibrium adsorption condition of these molecules, the friction coefficient of sliding steel surfaces was about 0.2 and a polymeric film was tribochemically produced. The synthesis yield of α-pinene tribo-polymers was about twice as much as pinane tribo-polymers. In contrast to these strained bicyclic hydrocarbons, n-decane showed much weaker activity for tribo-polymerization at the same mechanical shear condition. These results suggested that the mechanical shear at tribological interfaces could induce the opening of the strained ring structure of α-pinene and pinane, which leads to polymerization of adsorbed molecules at the sliding track. On a stainless steel surface, such polymerization reactions of adsorbed molecules do not occur under typical surface reaction conditions. The mechanical properties and boundary lubrication efficiency of the produced tribo-polymer films are discussed.

  5. Molecular Dynamics Simulation for Surface and Transport Properties of Fluorinated Silica Nanoparticles in Water or Decane: Application to Gas Recovery Enhancement

    Directory of Open Access Journals (Sweden)

    Sepehrinia Kazem

    2017-05-01

    Full Text Available Determination of surface and transport properties of nanoparticles (NPs is essential for a variety of applications in enhanced oil and gas recoveries. In this paper, the impact of the surface chemistry of silica NPs on their hydro- and oleo-phobic properties as well as their transport properties are investigated in water or decane using molecular dynamics simulation. Trifluoromethyl or pentafluoroethyl groups as water and oil repellents are placed on the NPs. It is found that the density and residence time of liquid molecules around the NPs are modulated considerably with the existence of the functional groups on the NPs’ surfaces. Also, much larger density fluctuations for liquids close to the surface of the NPs are observed when the number of the groups on the NPs increases, indicating increased hydrophobicity. In addition, the diffusion coefficient of the NPs in either water or decane increases with increasing the number or length of the fluorocarbon chains, demonstrating non-Brownian behavior for the NPs. The surface chemistry imparts a considerable contribution on the diffusion coefficient of the NPs. Finally, potential of mean force calculations are undertaken. It is observed that the free energy of adsorption of the NPs on a mineral surface is more favorable than that of the aggregation of the NPs, which suggests the NPs adsorb preferably on the mineral surface.

  6. Effect of Support on Metathesis of n-Decane: Drastic Improvement in Alkane Metathesis with WMe5 Linked to Silica-Alumina

    KAUST Repository

    Samantaray, Manoja

    2015-03-11

    [WMe6] (1) supported on the surface of SiO2-Al2O3(500) (2) has been extensively characterized by solid-state NMR spectroscopy, elemental analysis, and gas quantification, which clearly reveal the formation of a mixture of monopodal and bipodal species with the migration of methyl from W to Al. The supported species SiO2-Al2O3(500) (2) transformed at 120°C into two types of carbynic centers, one of which is cationic and the other neutral. These species are very efficient for the metathesis of n-decane. Comparison with already-synthesized neutral bipodal tungsten indicates that the high increase in activity is due to the cationic character of the grafted tungsten.

  7. Surface tension, density, and speed of sound for the ternary mixture {l_brace}diethyl carbonate + p-xylene + decane{r_brace}

    Energy Technology Data Exchange (ETDEWEB)

    Mosteiro, Laura; Casas, Lidia M. [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Universidad de Vigo, Lagoas Marcosende s/n, 36310 Vigo (Spain); Legido, Jose L. [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Universidad de Vigo, Lagoas Marcosende s/n, 36310 Vigo (Spain)], E-mail: xllegido@uvigo.es

    2009-05-15

    This paper reports the results of a new experimental study of thermophysical properties for the ternary mixture of {l_brace}diethyl carbonate + p-xylene + decane{r_brace}. Surface tension has been measured at 298.15 K and, density and speed of sound have been measured in the temperature range T = (288.15 to 308.15) K. Excess molar volumes, excess isentropic compressibilities, and surface tension deviations, have been calculated from experimental data. Surface tension deviations have been correlated with Cibulka equation and Nagata and Tamura equation was used for the other excess properties. Good accuracy has been obtained. These excess magnitudes are discussed qualitatively in terms of the nature and type of intermolecular interactions of the components involved.

  8. Thermophysical and sonochemical behaviour of binary mixtures of decan-1-ol with halohydrocarbons at (T = 293.15 and 313.15) K

    International Nuclear Information System (INIS)

    Bhatia, Subhash C.; Bhatia, Rachna; Dubey, Gyan P.

    2010-01-01

    Densities and ultrasonic velocities of binary mixtures of decan-1-ol with 1,2-dichloroethane, 1,2-dibromoethane, and 1,1,2,2-tetrachloroethene have been measured over the entire range of composition at T = (293.15 and 313.15) K and at atmospheric pressure. From these results, the excess molar volumes, molar free volumes, excess molar isentropic compressibilities, limiting excess partial molar volumes, and isentropic compressibilities, intermolecular free lengths, and available volumes by three methods, thermal expansion coefficients, parameters related to space-filling ability, intermolecular free lengths, and molecular radii have been calculated. The experimental ultrasonic velocities have been analyzed in terms of the ideal mixture relations of Nomoto and Van Dael, Jacobson's free length, Schaaff's collision factor, Flory's statistical, and Prigogine-Flory-Patterson theories and thermoacoustical parameters.

  9. Effect of Support on Metathesis of n-Decane: Drastic Improvement in Alkane Metathesis with WMe5 Linked to Silica-Alumina

    KAUST Repository

    Samantaray, Manoja; Dey, Raju; Abou-Hamad, Edy; Hamieh, Ali Imad Ali; Basset, Jean-Marie

    2015-01-01

    [WMe6] (1) supported on the surface of SiO2-Al2O3(500) (2) has been extensively characterized by solid-state NMR spectroscopy, elemental analysis, and gas quantification, which clearly reveal the formation of a mixture of monopodal and bipodal species with the migration of methyl from W to Al. The supported species SiO2-Al2O3(500) (2) transformed at 120°C into two types of carbynic centers, one of which is cationic and the other neutral. These species are very efficient for the metathesis of n-decane. Comparison with already-synthesized neutral bipodal tungsten indicates that the high increase in activity is due to the cationic character of the grafted tungsten.

  10. Intramolecular Parallel [4+3] Cycloadditions of Cyclopropane 1,1-Diesters with [3]Dendralenes: Efficient Construction of [5.3.0]Decane and Corresponding Polycyclic Skeletons.

    Science.gov (United States)

    Zhang, Chi; Tian, Jun; Ren, Jun; Wang, Zhongwen

    2017-01-26

    Aiming to develop efficient and general strategies for construction of complex and diverse polycyclic skeletons, we have successfully developed [4+3]IMPC (intramolecular parallel cycloaddition) of cyclopropane 1,1-diesters with [3]dendralenes. With a combination of the [4+3]IMPC and subsequent [4+n] cycloadditions, trans-[5.3.0]decane skeleton and its corresponding structurally complex and diverse polycyclic variants could be constructed efficiently. This novel [4+3] cycloaddition reaction mode of donor-acceptor cyclopropanes proceeds as a result of the ring-strain relief of a trans-[3.3.0]octane. We strongly believe that the developed methods will demonstrate potential applications in natural products synthesis and drug discovery. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Synthesis, molecular modeling, and opioid receptor affinity of 9, 10-diazatricyclo[4.2.1.1(2,5)]decanes and 2,7-diazatricyclo[4.4.0. 0(3,8)]decanes structurally related to 3,8-diazabicyclo[3.2. 1]octanes.

    Science.gov (United States)

    Vianello, P; Albinati, A; Pinna, G A; Lavecchia, A; Marinelli, L; Borea, P A; Gessi, S; Fadda, P; Tronci, S; Cignarella, G

    2000-06-01

    Various lines of evidence, including molecular modeling studies, imply that the endoethylenic bridge of 3,8-diazabicyclo[3.2. 1]octanes (DBO, 1) plays an essential role in modulating affinity toward mu opioid receptors. This hypothesis, together with the remarkable analgesic properties observed for N(3) propionyl, N(8) arylpropenyl derivatives (2) and of the reverted isomers (3), has prompted us to insert an additional endoethylenic bridge on the piperazine moiety in order to identify derivatives with increased potency toward this receptor class. In the present report, we describe the synthesis of the novel compounds 9,10-diazatricyclo[4.2. 1.1(2,5)]decane (4) and 2,7-diazatricyclo[4.4.0.0(3,8)]decane (5), as well as the representative derivatives functionalized at the two nitrogen atoms by propionyl and arylpropenyl groups (6a-e, 7a-d). Opioid receptor binding assays revealed that, among the compounds tested, the N-propionyl-N-cinnamyl derivatives 6a and 7a exhibited the highest mu-receptor affinity, and remarkably, compound 7a displayed in vivo (mice) an analgesic potency 6-fold that of morphine.

  12. Synthesis and biological evaluation of conformationally restricted σ(1) receptor ligands with 7,9-diazabicyclo[4.2.2]decane scaffold.

    Science.gov (United States)

    Sunnam, Sunil K; Schepmann, Dirk; Rack, Elisabeth; Fröhlich, Roland; Korpis, Katharina; Bednarski, Patrick J; Wünsch, Bernhard

    2010-12-21

    The key step in the synthesis of the 7,9-diazabicyclo[4.2.2]decane system was a modified Dieckmann condensation of piperazinebutyrate 11, which makes use of trapping the first cyclized intermediate with TMS-Cl. Reduction of the bicyclic ketone 14 with LiBH(4) at -90 °C provided diastereoselectively (>99 : 1) the syn-configured alcohol 15a, which was converted into the final alcohol and ethers 16a-g. The configuration at the 2-position was established by X-ray structure analysis of methyl and ethyl ethers 15b and 15c. In contrast to bicyclic systems with a three-carbon bridge, inversion of the configuration at the 2-position of the alcohol 15a failed to give the inverted alcohol 19a. However, an unselective reduction of the ketone 24 with L-Selectride led to the diastereomeric alcohols 16a and 25a in the ratio 36 : 64. LiAlH(4) reduction of the tosylate 20 and the alkene 18 yielded the diazabicyclo-decane 26 and -decene 27 without further substituents at the four-carbon bridge. The σ(1) and σ(2) receptor affinities were investigated in receptor binding studies with radioligands. All test compounds showed a lower σ(1) affinity than the corresponding bicyclic derivatives with a three-membered bridge. The reduced σ(1) receptor affinity is attributed to the larger four-membered bridge. This hypothesis is supported by the alkene 27, which represents the most potent σ(1) ligand of this series (K(i) = 7.5 nM). In the alkene 27 the size and flexibility of the bridge is considerably reduced by the double bond. The methyl ether 25b and the unsubstituted derivatives 26 and 27 revealed moderate inhibition of the growth of the human tumor cell lines A-427, 5637 and MCF-7. Again, these compounds are less potent than the analogues with a three-membered bridge. The IC(50)-value of the most potent σ(1) ligand 27 against the small cell lung cancer cell line A-427 (IC(50) = 10 μM) should be emphasized, since this cell line is particularly sensitive to homologues with a

  13. Laser induced breakdown in gas mixtures. Experimental and statistical investigation on n-decane ignition: Pressure, mixture composition and equivalence ratio effects.

    Science.gov (United States)

    Mokrani, Nabil; Gillard, Philippe

    2018-03-26

    This paper presents a physical and statistical approach to laser-induced breakdown in n-decane/N 2  + O 2 mixtures as a function of incident or absorbed energy. A parametric study, with pressure, fuel purity and equivalence ratio, was conducted to determine the incident and absorbed energies involved in producing breakdown, followed or not by ignition. The experiments were performed using a Q-switched Nd-YAG laser (1064 nm) inside a cylindrical 1-l combustion chamber in the range of 1-100 mJ of incident energy. A stochastic study of breakdown and ignition probabilities showed that the mixture composition had a significant effect on ignition with large variation of incident or absorbed energy required to obtain 50% of breakdown. It was observed that the combustion products absorb more energy coming from the laser. The effect of pressure on the ignition probabilities of lean and near stoichiometric mixtures was also investigated. It was found that a high ignition energy E50% is required for lean mixtures at high pressures (3 bar). The present study provides new data obtained on an original experimental setup and the results, close to laboratory-produced laser ignition phenomena, will enhance the understanding of initial conditions on the breakdown or ignition probabilities for different mixtures. Copyright © 2018 Elsevier B.V. All rights reserved.

  14. Synergy between Two Metal Catalysts: A Highly Active Silica Supported Bimetallic W/Zr Catalyst for Metathesis of n-Decane

    KAUST Repository

    Samantaray, Manoja

    2016-06-01

    A well-defined, silica supported, bimetallic precatalyst [≡Si-O-W(Me)5 ≡Si-O-Zr(Np)3](4) has been synthesized for the first time via successively grafting two organometallic complexes [W(CH3)6 (1) followed by ZrNp4 (2)] on a single silica support. Surprisingly, multiple quantum NMR characterization demonstrates that W and Zr species are in close proximity to each other. Hydrogenation of this bimetallic catalyst at room temperature showed the easy formation of Zirconium hydride, probably facilitated by tungsten hydride which was formed at this temperature. This bimetallic W/Zr hydride precatalyst proved to be more efficient (TON: 1436) than the monometallic W hydride (TON: 650) in metathesis of n-decane at 150 0C. This synergy between Zr and W suggests that the slow step of alkane metathesis is the C-H bond activation which occurs on Zr. The produced olefin resulting from a ß–H elimination undergoes easy metathesis on W.

  15. 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

  16. Influence of de-aluminating techniques of Y zeolite on its physico-chemical properties and on its catalytic performances in N-decane hydro-cracking; Influence des techniques de desalumination de la zeolithe Y sur ses proprietes physico-chimiques et sur ses performances catalytiques en hydrocraquage du N-decane

    Energy Technology Data Exchange (ETDEWEB)

    Gola, A.

    1996-12-16

    De-aluminated HY samples with constant amounts of framework aluminium and varying amounts of extra framework aluminium have been prepared and characterized. The influence of extra framework aluminium (EFAL) species in hydrocracking of n-decane at a hydrogen pressure of 60 bars has been evaluated. The methods used to de-aluminate the Y zeolite involved high temperature steaming followed by treatments with aqueous solutions of nitric acid, (NH{sub 4}){sub 2}SIF{sub 6}(AHFS) or Na{sub 2}EDTA to control the elimination of the EFAI. The chemical composition of the resulting samples indicates that only AHFS and Na{sub 2}EDTA are able to eliminate controlled amounts of EFAI without de-aluminating the framework. Several types of EFAI are detected, their localisation is proposed and their ease of extraction by the different reagents is investigated. Treatment with nitric acid or Na{sub 2}EDTA leads to increase of the meso-porous volume whereas AHFS leads to a silicon deposit and very low meso-porous volumes. The number and strength of acid sites in all treated samples is higher than in the steamed zeolite. Hydrocracking of n-decane under high hydrogen pressure (60 bars) at 260 deg C was chosen as a test reaction. The catalysts were prepared by two methods: mechanical mixing of the zeolite with alumina supported platinum and incipient wetness impregnation of platinum on the zeolite. It is shown that the proximity of acid and metallic sites in the latter leads to high yields of isomerization products. The amount and nature of the EFAI, and the meso-porous texture of the samples studied, have little influence on the catalytic properties (in terms of selectivity or acidity) of de-aluminated zeolite Y. Only the steamed zeolite shows in some conditions a lower activity and selectivity towards isomerized products. (author) 145 refs.

  17. Thermochemical properties of exo-tricyclo[5.2.1.0(2,6)]decane (JP-10 jet fuel) and derived tricyclodecyl radicals.

    Science.gov (United States)

    Hudzik, Jason M; Asatryan, Rubik; Bozzelli, Joseph W

    2010-09-09

    exo-Tricyclo[5.2.1.0(2,6)]decane (TCD) or exo-tetrahydrodicyclopentadiene is the principal component of the high-energy density hydrocarbon fuel commonly identified as JP-10. Thermodynamic parameters for the parent TCD molecule and of all the tricyclodecyl radicals corresponding to the loss of hydrogen atoms from different carbons sites (TCD-Ri with i indicating the given carbon center) are determined using several density functional theory and G3MP2B3 and CBS-QB3 higher level composite computational chemistry methods. Five isodesmic work reactions, three involving bridged hydrocarbon reference molecules with similar ring strains, are employed to produce a cancelation of systematic calculation errors in evaluation of standard, gas-phase formation enthalpies at 298 K. Delta(f)H degrees (298) for TCD is found to be -19.5 +/- 1.3 kcal mol(-1), which is several kcal mol(-1) lower than the commonly used values. C(i)-H bond energies for corresponding TCD carbon sites are evaluated as follows: TCD-R1, 107.2; TCD-R2, 100.1; TCD-R3, 98.0; TCD-R4, 98.5; TCD-R9, 98.7; TCD-R10, 104.1 kcal mol(-1). Results from use of five different DFT methods are in very good agreement with composite level values for all work reactions used for the radicals. The exo and endo isomers of TCD are both determined to have chair and boat conformers.

  18. Solar photocatalytic gas-phase degradation of n-decane--a comparative study using cellulose acetate monoliths coated with P25 or sol-gel TiO₂ films.

    Science.gov (United States)

    Miranda, Sandra M; Lopes, Filipe V S; Rodrigues-Silva, Caio; Martins, Susana D S; Silva, Adrián M T; Faria, Joaquim L; Boaventura, Rui A R; Vilar, Vítor J P

    2015-01-01

    Cellulose acetate monoliths (CAM) were used as the substrate for the deposition of TiO2 films to produce honeycombed photoactive structures to fill a tubular photoreactor equipped with a compound parabolic collector. By using such a setup, an efficient single-pass gas-phase conversion was achieved in the degradation of n-decane, a model volatile organic compound. The CAM three-dimensional, gas-permeable transparent structure with a rugged surface enables a good adhesion of the catalytic coating. It also provides a rigid structure for packing the tubular photoreactor, and maximizing the illuminated catalyst surface. The efficiency of the photocatalytic oxidation (PCO) process on n-decane degradation was evaluated under different operating conditions, such as feeding concentration (73 and 146 ppm), gas stream flow rate (73, 150, and 300 mL min(-1)), relative humidity (3 and 25 %), and UV irradiance (18.9, 29.1, and 38.4 WUV m(-2)). The results show that n-decane degradation by neat photolysis is negligible, but mineralization efficiencies of 86 and 82 % were achieved with P25-CAM and SG-CAM, respectively, for parent pollutant conversions above 95 %, under steady-state conditions. A mass transfer model, considering the mass balance to the plug-flow packed photoreactor, and PCO reaction given by a Langmuir-Hinshelwood bimolecular non-competitive two types of sites equation, was able to predict well the PCO kinetics under steady-state conditions, considering all the operational parameters tested. Overall, the performance of P25-CAM was superior taking into account mineralization efficiency, cost of preparation, surface roughness, and robustness of the deposited film.

  19. Combining multi-catalysis and multi-component systems for the development of one-pot asymmetric reactions: stereoselective synthesis of highly functionalized bicyclo[4.4.0]decane-1,6-diones.

    Science.gov (United States)

    Ramachary, Dhevalapally B; Sakthidevi, Rajasekar

    2008-07-21

    We have developed a direct amine/acid-catalyzed stereoselective hydrogenation of a variety of Wieland-Miescher (W-M) ketones, Hajos-Parrish (H-P) ketones and their analogs with organic hydrides (Hantzsch esters) as the hydrogen source. This astonishingly simple and biomimetic approach was used to construct highly functionalized chiral bicyclo[4.4.0]decane-1,6-diones in a diastereoselective fashion. This is an example of the development of a new technology by the combination of multiple catalysts and components in one pot to deliver highly functionalized chiral molecules.

  20. Density, viscosity and excess molar volume of binary mixtures of tri-n-octylamine + diluents (n-heptane, n-octane, n-nonane, and n-decane) at various temperatures

    International Nuclear Information System (INIS)

    Fang, Sheng; Zuo, Xiao-Bo; Xu, Xue-Jiao; Ren, Da-Hai

    2014-01-01

    Highlights: • Densities and viscosities of tri-n-octylamine + n-heptane, +n-octane, +n-nonane, or +n-decane are determined. • The excess molar volume is calculated. • The Grunberg and Nissan equation and Fang and He equation are used to correlate the binary viscosities. -- Abstract: Densities (ρ) and viscosities (η) for binary mixtures of tri-n-octylamine (TOA) + n-heptane, TOA + n-octane, TOA + n-nonane, and TOA + n-decane are determined at T (283.15, 293.15, and 303.15) K and atmospheric pressure. The excess molar volume is calculated from the density data and is correlated by a Redlich–Kister type equation. The excess molar volume is negative for all the four systems. The results show that the volume accommodation effect is predominant in these systems. The Grunberg and Nissan equation and Fang and He equation for binary mixtures are used to correlate the experimental viscosity data. The Fang and He equation gives an average absolute deviation (AAD%) of 0.8% for TOA with alkane mixtures, better than that of 3.8% given by the Grunberg and Nissan equation

  1. Bond Energies and Thermochemical Properties of Ring-Opened Diradicals and Carbenes of exo-Tricyclo[5.2.1.0(2,6)]decane.

    Science.gov (United States)

    Hudzik, Jason M; Castillo, Álvaro; Bozzelli, Joseph W

    2015-09-24

    Exo-tricyclo[5.2.1.0(2,6)]decane (TCD) or exo-tetrahydrodicyclopentadiene is an interesting strained ring compound and the single-component high-energy density hydrocarbon fuel known as JP-10. Important initial reactions of TCD at high temperatures could cleave a strained carbon-carbon (C-C) bond in the ring system creating diradicals also constrained by the remaining ring system. This study determines the thermochemical properties of these diradicals (TCD-H2 mJ-nJ where m and n correspond to the cleaved carbons sites) including the carbon-carbon bond dissociation energy (C-C BDE) corresponding to the cleaved TCD site. Thermochemical properties including enthalpies (ΔH°f298), entropies (S(T)), heat capacities (Cp(T)), and C-H and C-C BDEs for the parent (TCD-H2 m-n), radical (TCD-H2 mJ-n and m-nJ), diradical (TCD-H2 mJ-nJ), and carbene (TCD-H2 mJJ-n and m-nJJ) species are determined. Structures, vibrational frequencies, moments of inertia, and internal rotor potentials are calculated at the B3LYP/6-31G(d,p) level of theory. Standard enthalpies of formation in the gas phase for the TCD-H2 m-n parent and radical species are determined using the B3LYP density functional theory and the higher level G3MP2B3 and CBS-QB3 composite methods. For singlet and triplet TCD diradicals and carbenes, M06-2X, ωB97X-D, and CCSD(T) methods are included in the analysis to determine ΔH°f298 values. The C-C BDEs are further calculated using CASMP2(2,2)/aug-cc-pvtz//CASSCF(2,2)/cc-pvtz and with the CASMP2 energies extrapolated to the complete basis set limit. The bond energies calculated with these methods are shown to be comparable to the other calculation methods. Isodesmic work reactions are used for enthalpy analysis of these compounds for effective cancelation of systematic errors arising from ring strain. C-C BDEs range from 77.4 to 84.6 kcal mol(-1) for TCD diradical singlet species. C-H BDEs for the parent TCD-H2 m-n carbon sites range from 93 to 101 kcal mol(-1) with a

  2. Effects of (-)-S-2,8-dimethyl-3-methylene-1-oxa-8-azaspiro[4,5]decane L-tartrate monohydrate (YM796), a novel muscarinic agonist, on disturbance of passive avoidance learning behavior in drug-treated and senescence-accelerated mice.

    Science.gov (United States)

    Suzuki, M; Yamaguchi, T; Ozawa, Y; Ohyama, M; Yamamoto, M

    1995-11-01

    Effects of YM796 (-)-S-2,8-dimethyl-3-methylene-1-oxa-8-azaspiro[4,5]decane L-tartrate monohydrate; a novel muscarinic agonist, were observed on disturbance of passive avoidance learning behavior in drug- (protein synthesis inhibitor and anticholinergic drugs) treated and senescence-accelerated mice in comparison with those of a muscarinic agonist (AF102B) and acetylcholinesterase inhibitors (E2020 (1-benzyl-4-[(5,6-dimethoxy-1-indanone-2-yl) methyl] piperidene hydrochloride), NIK247 [9-amino-2,3,5,6,7,8-hexahydro-1H-cyclopenta(b)-quinoline monohydrate hydrochloride], THA (9-amino-1,2,3,4-tetrahydroacridine) and physostigmine). All tested drugs administered before training significantly prolonged the shortened latency of step-through induced by the protein synthesis inhibitor cycloheximide (150 mg/kg s.c.). This shortened latency was also significantly prolonged when YM796 was administered immediately after training, but not when administered before the test trial. The ameliorating effect of YM796 on the impairment in learning behavior by cycloheximide was significantly suppressed by pirenzepine (0.1 micrograms/mouse i.c.v.). When administered before training, all test drugs prolonged the shortened latency of step-through induced by treatment with the anticholinergic drugs [scopolamine (1 mg/kg s.c.) and hemicholinium-3 (0.3 microgram/mouse i.c.v.)], suggesting that they ameliorated the impairment of learning behavior. This shortened latency in scopolamine-treated mice was also significantly prolonged by YM796, AF102B, E2020, NIK247 and physostigmine when administered immediately after training, but not when administered before the test trial. The pharmacological actions of YM796 administered immediately after training and before the test trial in hemicholinium-3-treated mice were similar to those in scopolamine-treated mice.(ABSTRACT TRUNCATED AT 250 WORDS)

  3. 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

  4. Experimental and modeling study on pyrolysis of n-decane initiated by nitromethane

    KAUST Repository

    Jia, Zhenjian; Wang, Zhandong; Cheng, Zhanjun; Zhou, Weixing

    2016-01-01

    Initiator could accelerate the rate of hydrocarbon pyrolysis and reduce the required material temperatures for a hypersonic aircraft heat exchanger/reactor. Nitroalkanes were proposed as the effective initiator because of the lower CN bond

  5. Asymmetric synthesis of a functionalized tricyclo[6.2.0.0 ]decane ring ...

    Indian Academy of Sciences (India)

    reaction mixture was again brought to −78. ◦. C and to ... cuprous triflate (10 mg) was added to the reaction mix- ture. .... propionic acid (0.2 mL) and xylene (5 mL) was heated in a sealed tube at ..... ous HCl was extracted with diethyl ether (2×3 mL). Removal of .... nesium bromide and DMP oxidation of the resulting carbinol.

  6. Density and phase equilibrium of the binary system methane + n-decane under high temperatures and pressures

    DEFF Research Database (Denmark)

    Regueira Muñiz, Teresa; Pantelide, Georgia; Yan, Wei

    2016-01-01

    isothermal compressibility values were obtained by differentiation from the Tammann-Tait correlation ofthe determined density values. Isobaric thermal expansion coefficients were also calculated based on differentiation from the isobaric fit of density data. We also measured the phase equilibrium...

  7. 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

  8. Kinetic experiments and modeling of NO oxidation and SCR of NOx with decane over Cu- and Fe-MFI catalysts

    Czech Academy of Sciences Publication Activity Database

    Čapek, Libor; Vradman, L.; Sazama, Petr; Herskowitz, M.; Wichterlová, Blanka; Zukerman, R.; Brosius, R.; Martens, J. A.

    2007-01-01

    Roč. 70, 1-4 (2007), s. 53-57 ISSN 0926-3373 Grant - others:European Union(XE) GR5D-CT 2001-00595 Institutional research plan: CEZ:AV0Z40400503 Source of funding: O - operačné programy Keywords : NO oxidation * Nox reduction with hydrocarbons * heterogeneous kinetic s * iron zeolite Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.651, year: 2007

  9. One Day Every 216 Years, Three Days Each Decan. Rebirth Cycle of Pythagoras, Phoenix, Hazon Gabriel, and Christian Dogma of Resurrection Can Be Explained by the Metonic Cycle

    Science.gov (United States)

    Rothwangl, S.

    2009-08-01

    This article explains how the Metonic cycle is at the base of the period of 216 years Pythagoras believed in being reborn after that period. It shows how this period calendrically is related to other mythological worldviews such as the Phoenix myth, the Hebrean Hazon Gabriel, and the Christian dogma of resurrection on the third day.

  10. A convenient access to thermodynamically nonstabilised spiroketal isomers: the first synthesis of (Z)-7-methyl-1,6-dioxaspiro[4.5]decane

    Czech Academy of Sciences Publication Activity Database

    Doubský, Jan; Šaman, David; Zedník, J.; Vašíčková, Soňa; Koutek, Bohumír

    2005-01-01

    Roč. 46, č. 46 (2005), s. 7923-7926 ISSN 0040-4039 Institutional research plan: CEZ:AV0Z4055905 Keywords : spiroketals * alpha-alkynones * diastereoselective Subject RIV: CC - Organic Chemistry Impact factor: 2.477, year: 2005

  11. A new cerium (III) ion selective electrode based on 2,9-dihydroxy-1,10-diphenoxy-4,7-dithia decane, a novel synthetic ligand

    Energy Technology Data Exchange (ETDEWEB)

    Rounaghi, Gholamhossein, E-mail: ghrounagh@yahoo.com [Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad (Iran, Islamic Republic of); Zadeh Kakhki, Roya Mohammad; Sadeghian, Hamid [Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad (Iran, Islamic Republic of)

    2011-11-30

    Highlights: > An ISE based on a new ionophore is used successfully to determine cerium (III) cation over the concentration range 1.0 x 10{sup -1}-2.1 x 10{sup -9} mol l{sup -1}. > It has a fast response time of 10 s. > It has comparatively good selectivities with respect to metal cations. > It can be used in a pH range of 5.0-8.0. > It also was used as an indicator electrode in potentiometric determination of F{sup -} ion in some real sample preparations. - Abstract: In the present study, a novel electrode based on 2,9-dihydroxy-1,10-diphenoxy-4,7-dithiadecane (DHDPDTD) that is selective to cerium (III) cations was evaluated electrochemically, and a Nerenstian slope (19.3 {+-} 1 mV decade{sup -1}) over a concentration range of 1.0 x 10{sup -8}-1.0 x 10{sup -1} M and a detection limit of 2.1 x 10{sup -9} M were observed. The proposed electrochemical sensor displayed a rapid response time of 10 s, improved selectivity towards Ce (III) cations in the presence of alkali, alkaline earth, transition and heavy metal cations, and could be used in a pH range of 5.0-8.0. Additionally, the proposed sensor was used as an indicator in the potentiometric titration of fluoride and the determination of F{sup -} ions in real samples.

  12. Synergy between Two Metal Catalysts: A Highly Active Silica Supported Bimetallic W/Zr Catalyst for Metathesis of n-Decane

    KAUST Repository

    Samantaray, Manoja; Dey, Raju; Kavitake, Santosh Giridhar; Abou-Hamad, Edy; Bendjeriou-Sedjerari, Anissa; Hamieh, Ali Imad Ali; Basset, Jean-Marie

    2016-01-01

    A well-defined, silica supported, bimetallic precatalyst [≡Si-O-W(Me)5 ≡Si-O-Zr(Np)3](4) has been synthesized for the first time via successively grafting two organometallic complexes [W(CH3)6 (1) followed by ZrNp4 (2)] on a single silica support

  13. μ-Hexa-thio-metadiphosphato-bis-[(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-κ(6) O)rubidium] aceto-nitrile disolvate.

    Science.gov (United States)

    Gjikaj, Mimoza; Pook, Niels-Patrick; Qarri, Flora

    2013-12-01

    The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972 (1) Å from the O atoms of the crown in the direction of the [P2S6](2-) moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6](2-) anion. The hexa-thio-metadiphosphate anion is built up from two tetra-hedral PS4 units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and aceto-nitrile solvent mol-ecules stacked along [010].

  14. A novel approach for preparation of micrometer-sized, monodisperse dimple and hemispherical polystyrene particles.

    Science.gov (United States)

    Tanaka, Takuya; Komatsu, Yoshifumi; Fujibayashi, Teruhisa; Minami, Hideto; Okubo, Masayoshi

    2010-03-16

    Micrometer-sized, monodisperse dimple and hemispherical polystyrene (PS) particles were successfully prepared by heating (55-70 degrees C) of spherical PS particles dispersed in methanol/water media (40/60 to 80/20, w/w) in the presence of decane droplets, and subsequent cooling down to room temperature. Decane was absorbed by the PS particles during the heating process. Decane-absorbed PS particles phase-separated into PS and decane phases in the inside during the cooling process, and eventually dimple and/or hemispherical particles were formed by removal of the decane phase from phase-separated PS/decane particles by evaporation. The size of the dimple, which is determined by the volume of decane phase-separated from decane-absorbed PS particles during the cooling process, increased with increases in the heating temperature and the methanol content.

  15. CCDC 1449337: Experimental Crystal Structure Determination : Acetato-(1,3-bis(tricyclo[3.3.1.13,7]decan-1-yl)-2,3-dihydro-1H-imidazol-2-ylidene)-silver(i) dichloromethane solvate

    KAUST Repository

    Wong, Valerie H. L.; Vummaleti, Sai V. C.; Cavallo, Luigi; White, Andrew J. P.; Nolan, Steven P.; Hii, King Kuok (Mimi)

    2016-01-01

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

  16. CCDC 1449338: Experimental Crystal Structure Determination : Benzoato-(1,3-bis(tricyclo[3.3.1.13,7]decan-1-yl)-2,3-dihydro-1H-imidazol-2-ylidene)-silver(i)

    KAUST Repository

    Wong, Valerie H. L.; Vummaleti, Sai V. C.; Cavallo, Luigi; White, Andrew J. P.; Nolan, Steven P.; Hii, King Kuok (Mimi)

    2016-01-01

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

  17. CCDC 1449337: Experimental Crystal Structure Determination : Acetato-(1,3-bis(tricyclo[3.3.1.13,7]decan-1-yl)-2,3-dihydro-1H-imidazol-2-ylidene)-silver(i) dichloromethane solvate

    KAUST Repository

    Wong, Valerie H. L.

    2016-01-01

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

  18. CCDC 1449338: Experimental Crystal Structure Determination : Benzoato-(1,3-bis(tricyclo[3.3.1.13,7]decan-1-yl)-2,3-dihydro-1H-imidazol-2-ylidene)-silver(i)

    KAUST Repository

    Wong, Valerie H. L.

    2016-01-01

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

  19. μ-Hexa­thio­metadiphosphato-bis­[(1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane-κ6 O)rubidium] aceto­nitrile disolvate

    Science.gov (United States)

    Gjikaj, Mimoza; Pook, Niels-Patrick; Qarri, Flora

    2013-01-01

    The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto­nitrile solvent mol­ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb+ ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972 (1) Å from the O atoms of the crown in the direction of the [P2S6]2− moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6]2− anion. The hexa­thio­metadiphosphate anion is built up from two tetra­hedral PS4 units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and aceto­nitrile solvent mol­ecules stacked along [010]. PMID:24860286

  20. Biomimetic triblock copolymer membrane arrays: a stable template for functional membrane proteins

    DEFF Research Database (Denmark)

    Gonzalez-Perez, A.; Jensen, Karin Bagger Stibius; Vissing, Thomas

    2009-01-01

    It is demonstrated that biomimetic stable triblock copolymer membrane arrays can be prepared using a scaffold containing 64 apertures of 300 μm diameter each. The membranes were made from a stock solution of block copolymers with decane as a solvent using a new deposition method. By using decane...

  1. Di-μ-cyanido-tetra­cyanido(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate

    Science.gov (United States)

    Yang, Yuqi; Zhou, Hongbo; Shen, Xiaoping

    2013-01-01

    The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]·2.07H2O, contains one [Fe(qcq)(CN)3]− anion, half a [Ni(teta)]2+ cation and two partially occupied inter­stitial water mol­ecules [qcq− is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne]. In the complex mol­ecule, two [Fe(qcq)(CN)3]− anions additionally coordinate the central [Ni(teta)]2+ cation through cyanide groups in a trans mode, resulting in a trinuclear structure with the Ni2+ cation lying on an inversion centre. The two inter­stitial water mol­ecules are partially occupied, with occupancy factors of 0.528 (10) and 0.506 (9). O—H⋯O and O—H⋯N hydrogen bonding involving the two lattice water molecules and the carbonyl function and a teta N atom in an adjacent cluster leads to the formation of layers extending parallel to (010). PMID:23723777

  2. Di-μ-cyanido-tetra-cyanido(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate.

    Science.gov (United States)

    Yang, Yuqi; Zhou, Hongbo; Shen, Xiaoping

    2013-05-01

    The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]·2.07H2O, contains one [Fe(qcq)(CN)3](-) anion, half a [Ni(teta)](2+) cation and two partially occupied inter-stitial water mol-ecules [qcq(-) is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne]. In the complex mol-ecule, two [Fe(qcq)(CN)3](-) anions additionally coordinate the central [Ni(teta)](2+) cation through cyanide groups in a trans mode, resulting in a trinuclear structure with the Ni(2+) cation lying on an inversion centre. The two inter-stitial water mol-ecules are partially occupied, with occupancy factors of 0.528 (10) and 0.506 (9). O-H⋯O and O-H⋯N hydrogen bonding involving the two lattice water molecules and the carbonyl function and a teta N atom in an adjacent cluster leads to the formation of layers extending parallel to (010).

  3. Di-?-cyanido-tetra?cyanido(5,5,7,12,12,14-hexa?methyl-1,4,8,11-tetra?aza?cyclo?tetra?decane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate

    OpenAIRE

    Yang, Yuqi; Zhou, Hongbo; Shen, Xiaoping

    2013-01-01

    The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]?2.07H2O, contains one [Fe(qcq)(CN)3]? anion, half a [Ni(teta)]2+ cation and two partially occupied inter?stitial water mol?ecules [qcq? is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa?methyl-1,4,8,11-tetra?aza?cyclo?tetra?deca?ne]. In the complex mol?ecule, two [Fe(qcq)(CN)3]? anions additionally coordinate the central [Ni(teta)]2+ cation through cyanide groups in a trans mode,...

  4. Bleaching threshold of cationic radicals of alkanes and capture energy of the positive hole of these ions in irradiated solid matrix

    International Nuclear Information System (INIS)

    Van den Bosch, A.; Strobbe, M.; Ceulemans, J.

    1984-01-01

    Gamma irradiated Cl 3 CCF 3 shows an absorption band at about 360 nm, and another band, at 600 nm. The band at 600 nm disappears completely by irradiation with light of lambda>610 nm. Cl 3 CCF 3 containing 1% of decane irradiated at 77 K presents the some phenomena. Selective bleaching by photons of increasing energy allows the determination of the threshold for bleaching of cationic radicals of decane trapped in Cl 3 CCF 3 . Distinction between photoinduced charge transfer and photodissociation is obtained by addition of tetramethyl-p-phenylenediame. Showing that bleaching threshold corresponds to the capture energy of the positive hole on decane cationic radical [fr

  5. Two-Phase Flow Regimes and Discharge Characteristics of a Plasma Electrohydrodynamic Atomization

    International Nuclear Information System (INIS)

    Sun Ming; Borocilo, D.; Harvel, G. D.; Chang, J. S.; Ibe, M.; Matsubara, H.; Hirata, H.; Fanson, P.

    2011-01-01

    Experimental investigation was conducted to study the flow regimes and discharge characteristics of plasma electrohydrodynamic atomization (EHDA) for decane (C 10 H 22 ) under pulsed applied negative voltage. The experimental parameters were set as the flow rate of decane from 0 mL/min to 10 mL/min and the DC charging voltage from DC 0 V to 12 V with a pulse repetition rates of 200 Hz. The flow regime of decane was observed and the volume-to-electrical charge ratio was measured. Unlike a conventional EHDA system, the results show that a corona discharge was initiated at the edge of the hollow electrode at a specific corona on-set voltage of -17 kV or -20 kV in the case with or without decane flow, respectively. This phenomenon was defined as plasma EHDA.

  6. µ µ π2 µ π2 µ π2

    African Journals Online (AJOL)

    Michael Horsfall

    1Departmement of Physics and Solar Energy, Bowen University, Iwo –Nigeria ... The interpretation of magnetic intensities of the profiles revealed a network of geological features such as ... Decane to measure the total magnetic dipoles and.

  7. Comments for the Update to the ATSDR Toxicological Profile for JP-5 and JP-8 Occurring in FY14

    Science.gov (United States)

    2013-12-30

    Exposure Chamber. Made of stainless steel, about the size and shape of an attaché case, this IN-TOX product will hold up to 24 mice, each contained in...hydrocarbon markers (n- octane, n-decane, n-tetradecane, toluene, ethylbenzene , and m-xylene)” is incomplete and therefore incorrect. The model, in...aromatic hydrocarbon markers (n-octane, n-decane, n- tetradecane, toluene, ethylbenzene , and m-xylene), plus three chemical lumped compartments based

  8. Dechlorination and chlorine rearrangement of 1,2,5,5,6,9,10-heptachlorodecane mediated by the whole pumpkin seedlings.

    Science.gov (United States)

    Li, Yanlin; Hou, Xingwang; Yu, Miao; Zhou, Qunfang; Liu, Jiyan; Schnoor, Jerald L; Jiang, Guibin

    2017-05-01

    Short chain chlorinated paraffins (SCCPs) are ubiquitously present as persistent organic pollutants in the environment. However, little information on the interaction of SCCPs with plants is currently available. In this work, young pumpkin plants (Cucurbita maxima × C. Moschata) were hydroponically exposed to the congener of chlorinated decane, 1,2,5,5,6,9,10-heptachlorodecane (1,2,5,5,6,9,10-HepCD), to investigate the uptake, translocation and transformation of chlorinated decanes in the intact plants. It was found that parent HepCD was taken up by the pumpkin roots, translocated from root to shoots, and phytovolatilized from pumpkin plants to air via the plant transpiration flux. Our data suggested that dechlorination of 1,2,5,5,6,9,10-HepCD to lower chlorinated decanes and rearrangement of chlorine atoms in the molecule were all mediated by the whole pumpkin seedlings. Chlorinated decanes were found in the shoots and roots of blank controls, indicating that chlorinated decanes in the air could be absorbed by leaves and translocated from shoots to roots. Lower chlorinated congeners (C 10 H 17 Cl 5 ) tended to detain in air compared to higher chlorinated congeners (C 10 H 16 Cl 6 and other C 10 H 15 Cl 7 ). Potential transformation pathway and behavior of 1,2,5,5,6,9,10-HepCD in pumpkin were proposed based on these experiments. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. Comparison of the orientational order of lipid chains in the Lα and HII phases

    International Nuclear Information System (INIS)

    Lafleur, M.; Cullis, P.R.; Fine, B.; Bloom, M.

    1990-01-01

    The orientational order profile has been determined by using deuterium nuclear magnetic resonance ( 2 H NMR) for POPE in the lamellar liquid-crystalline (L α ) and the hexagonal (H II ) phases and is shown to be sensitive to the symmetry of the lipid phase. In the H II phase, as compared to the L α phase, the acyl chains are characterized by a greater motional freedom, and the orientational order is distributed more uniformly along the lipid acyl chain. This is consistent with a change from a cylindrical to a wedge-shaped space available for the lipid chain. 2 H NMR studies of POPE dispersions containing tetradecanol or decane, both of which can induce H II phase structure, show very different behavior. Tetradecanol appears to align with the phospholipid chains and experience the L α to H II phase transition with a similar change in motional averaging as observed for the phospholipid chains themselves. In contrast, decane is apparently deeply embedded in the lipid structure and exhibits only a small degree of orientation. The L α to H II phase transition for systems containing decane leads to a dramatic increase of the motional freedom of decane which is more pronounced than that observed for the lipid chains. The presence of decane in the H II phase structure does not modify the order of the lipid chains. However, the L α phase of POPE is slightly disordered by the addition of 9 mol% decane whereas it can accommodate as much as 20 mol% tetradecanol without a significant change of order. Finally, the concept of a stretching vector associated with the lipid acyl chain has been introduced to analyze the orientational order profile obtained in the H II phase. With this model, the average order parameter of the H II phase has been calculated and found to be in good agreement with experiment

  10. Effect of Molecular Size of Solutes on Their Partial Molar Volumes in Supercritical n-Pentane

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The densities of n-pentane, methane-n-pentane, propane-n-pentane, n-heptane-n-pentane, and n-decane-n-pentane binary mixtures were determined at 476.5K in the pressure range from 2 to 5 MPa. The partial molar volumes of the solutes in n-pentane were calculated using the density data. It was found that the partial molar volumes of methane and propane are positive , while those of n-heptane and n-decane are negative.

  11. Isopalhinine A, a unique pentacyclic Lycopodium alkaloid from Palhinhaea cernua.

    Science.gov (United States)

    Dong, Liao-Bin; Gao, Xiu; Liu, Fei; He, Juan; Wu, Xing-De; Li, Yan; Zhao, Qin-Shi

    2013-07-19

    A new pentacyclic (5/6/6/6/7) Lycopodium alkaloid named isopalhinine A (1), which possesses a sterically congested architecture built with a tricyclo[4.3.1.0(3,7)]decane (isotwistane) moiety and a 1-azabicyclo[4.3.1]decane moiety, and palhinines B (2) and C (3) were isolated from Palhinhaea cernua. The structure and absolute configuration of 1 were elucidated by a combination of NMR spectra, optical rotation calculation, and X-ray diffraction experiment. A possible biogenetic pathway was also proposed.

  12. Egyptian "Star Clocks"

    Science.gov (United States)

    Symons, Sarah

    Diagonal, transit, and Ramesside star clocks are tables of astronomical information occasionally found in ancient Egyptian temples, tombs, and papyri. The tables represent the motions of selected stars (decans and hour stars) throughout the Egyptian civil year. Analysis of star clocks leads to greater understanding of ancient Egyptian constellations, ritual astronomical activities, observational practices, and pharaonic chronology.

  13. Small angle neutron scattering study on a phase separation in a 3-component microemulsion system

    DEFF Research Database (Denmark)

    Seto, H.; Yokoi, E.; Komura, S.

    1993-01-01

    In literature, the 3-component microemulsion system consisting of AOT, water and n-decane is known to belong to 3D-Ising universality class so far. Recently, we have found that the critical exponent of the susceptibility is the meanfield value at near-critical region, and at the same time we have...

  14. Influence of food matrix on absorption of flavour compounds by linear low-density polyethylene: proteins and carbohydrates

    NARCIS (Netherlands)

    Willige, van R.W.G.; Linssen, J.P.H.; Voragen, A.G.J.

    2000-01-01

    The influence of oil and food components in real food products on the absorption of four flavour compounds (limonene, decanal, linalool and ethyl 2-methyl butyrate) into linear low-density polyethylene (LLDPE) was studied using a large volume injection GC in vial extraction method. Model food

  15. Synthesis of CaCO3 nanoparticles by carbonation of lime solutions in reverse micellar systems

    NARCIS (Netherlands)

    Heeres, H.J.; Jain, R.; Mehra, A.; Dagaonkar, M.V.

    2004-01-01

    Application of reverse micelles for the synthesis of nano-sized calcium carbonate particles in different solvents (cyclohexane, decane and heptane) has been investigated. The effect of the mole ratio of water-to-surfactant (R) and type of solvent has been studied on the size and nature of the

  16. Vapor Extraction/Bioventing Sequential Treatment of Soil Contaminated with Volatile and SemiVolatile Hydrocarbon Mixtures

    NARCIS (Netherlands)

    Malina, G.; Grotenhuis, J.T.C.; Rulkens, W.H.

    2002-01-01

    A cost-effective removal strategy was studied in bench-scale columns that involved vapor extraction and bioventing sequential treatment of toluene- and decane-contaminated soil. The effect of operating mode on treatment performance was examined at a continuous air flow and consecutively at two

  17. Ion Permeability of Artificial Membranes Evaluated by Diffusion Potential and Electrical Resistance Measurements

    Science.gov (United States)

    Shlyonsky, Vadim

    2013-01-01

    In the present article, a novel model of artificial membranes that provides efficient assistance in teaching the origins of diffusion potentials is proposed. These membranes are made of polycarbonate filters fixed to 12-mm plastic rings and then saturated with a mixture of creosol and "n"-decane. The electrical resistance and potential…

  18. Radiation-chemical transformations of antioxidants of alkylated phenols class. 3. 2.2'-methylene-bis-4-methyl-6-tret-butylphenol bis-phenol transformations in the absence of oxygen

    International Nuclear Information System (INIS)

    Antonova, E.A.; Zhirkova, O.A.

    1993-01-01

    Experimental results on radiation-chemical yields of products in the course of bisphenol-agidol transformations in n-decane in the absence of oxygen are presented. It is ascertained that monophenols of different structure are the main stable products of radiation-chemical transformations of agidol. Radiation-chemical mechanism of required product formation is discussed

  19. Experimental phase behavior study of a five-component model gas condensate

    NARCIS (Netherlands)

    Shariati - Sarabi, A.; Straver, E.J.M.; Florusse, L.J.; Peters, C.J.

    2014-01-01

    In this work, the bubble points and dew points of a multicomponent mixture of methane, butane, heptane, decane and tetradecane as a model mixture representative of a gas condensate, have been measured experimentally. Ten samples with approximately the same composition were prepared and their

  20. Heat capacity and Joule-Thomson coefficient of selected n-alkanes at 0.1 and 10 MPa in broad temperature ranges

    DEFF Research Database (Denmark)

    Regueira Muñiz, Teresa; Varzandeh, Farhad; Stenby, Erling Halfdan

    2017-01-01

    Isobaric heat capacity of six n-alkanes, i.e. n-hexane, n-octane, n-decane, n-dodecane, n-tetradecane and n-hexadecane, was determined with a Calvet type differential heat-flux calorimeter at 0.1 and 10 MPa in a broad temperature range. The measured isobaric heat capacity data were combined...

  1. Elucidation of density profile of self-assembled sitosterol + oryzanol tubules with small-angle neutron scattering

    NARCIS (Netherlands)

    Bot, A.; Gilbert, E.P.; Bouwman, W.G.; Sawalha, H.I.M.; Adel, den R.; Garamus, V.M.; Venema, P.; Linden, van der E.; Flöter, E.

    2012-01-01

    Small-angle neutron scattering (SANS) experiments have been performed on self-assembled tubules of sitosterol and oryzanol in triglyceride oils to investigate details of their structure. Alternative organic phases (deuterated and non-deuterated decane, limonene, castor oil and eugenol) were used to

  2. Transport in porous media containing residual hydrocarbon. 2: Experiments

    International Nuclear Information System (INIS)

    Hatfield, K.; Ziegler, J.; Burris, D.R.

    1993-01-01

    When liquid hydrocarbons or nonaqueous-phase liquids (NAPLs) become entrapped below the water table, flowing ground waters carry soluble NAPL components away from the spill zone. Transport of these dissolved NAPL components is controlled by several processes including advection, dispersion, sorption to aquifer materials, and liquid-liquid partitioning. To better understand these processes, miscible displacement experiments were conducted to generate break-through curves (BTCs) of pentafluorobenzoic acid (PFBA), benzene, and toluene on sand column with and without a fixed decane residual. A departure from equilibrium transport is observed in BTCs from the sand-decane system. These BTCs show characteristics of early breakthrough, asymmetry, and tailing. The cause of nonequilibrium is hypothesized to be rate-limited solute exchange between decane and water. A new transport model, capable of handling time-dependent exchange processes, is successfully applied to reproduce experimental BATCs. Results indicate that time-dependent partitioning becomes increasingly important as the solute decane-water partition coefficient and the aqueous-phase fluid velocity increase

  3. Simple Method to Determine the Partition Coefficient of Naphthenic Acid in Oil/Water

    DEFF Research Database (Denmark)

    Bitsch-Larsen, Anders; Andersen, Simon Ivar

    2008-01-01

    The partition coefficient for technical grade naphthenic acid in water/n-decane at 295 K has been determined (K-wo = 2.1 center dot 10(-4)) using a simple experimental technique with large extraction volumes (0.09 m(3) of water). Furthermore, nonequilibrium values at different pH values...

  4. Product evaluation phase 1 report

    International Nuclear Information System (INIS)

    Ward, M.

    1984-01-01

    This report concerns the intermediate-level radioactive waste arisings from the reprocessing of irradiated nuclear fuel at BNFL Sellafield. Tokai Mura end caps arise when the fuel from the Japanese Tokai Mura reactor is decanned prior to fuel processing. Headings are: introduction (origin and arisings); waste characterisation; alternative matrices for encapsulation of waste in form suitable for disposal. (U.K.)

  5. supp1.doc

    Indian Academy of Sciences (India)

    hexa decane]-2'(7'),4',6',8'-tetraene-2,5,13',15'-tetrone (cis-3a). Pale pink solid, mp: 118-120 oC; Rf = 0.23 (60% ethylacetate: petroleum ether); IR (KBr): 1196, 1352, 1715, 2961, 3235 cm-1; 1H NMR (500 MHz, CDCl3): δ 2.86 (d, 1H, J = 18.3 ...

  6. Essential oil of Machilus bombycina King from Northeast India

    NARCIS (Netherlands)

    Choudhury, S.N.; Leclercq, P.A.

    1995-01-01

    The essential oil of Mac hilus bombycina Kingwas produced by hydrodistillation from fresh leaves, collected from Northeast India. The oil was analyzed by GC/MS and 40 components were identified, which constituted 93.7% of the oiL The major components of the oil were decanal (12.5%), ll-dodecenal

  7. Nanostructured barium titanate thin films from nanoparticles obtained by an emulsion precipitation method

    NARCIS (Netherlands)

    Woudenberg, F.C.M.; Sager, W.F.C.; ten Elshof, Johan E.; Verweij, H.

    2005-01-01

    Spherical non-agglomerated BaTiO3 precursor particles of 3–5 nm size were prepared by an emulsion precipitation method that consisted of the complexation of Ba- and Ti-precursors in separate water-in-decane emulsions, followed by mixing and controlled precipitation upon reactive decomposition of

  8. Gas-liquid-liquid three-phase flow pattern and pressure drop in a microfluidic chip : similarities with gas-liquid/liquid-liquid flows

    NARCIS (Netherlands)

    Yue, J.; Rebrov, E.; Schouten, J.C.

    2014-01-01

    We report a three-phase slug flow and parallel-slug flow as two major flow patterns found under the nitrogen-decane-water flow through a glass microfluidic chip which features a long microchannel with a hydraulic diameter of 98 µm connected to a cross-flow mixer. The three-phase slug flow pattern is

  9. Sellafield

    International Nuclear Information System (INIS)

    1984-01-01

    This small, illustrated, booklet describes Sellafield under the headings: introduction (historical and general); organisation (Windscale Works; Calder Works); Magnox reprocessing (using nuclear fuel in a reactor; transport of fuel; used fuel stored in ponds; decanning of Magnox fuel; separation process; highly-active storage tanks; vitrification); waste disposal; health and safety; Calder Hall; future developments; training young people; community relations. (U.K.)

  10. Effects of time, temperature, and pressure in the vicinity of the glass transition of a swollen polymer

    NARCIS (Netherlands)

    Ogieglo, Wojciech; Upadhyaya, L.; Wessling, Matthias; Nijmeijer, Arian; Benes, Nieck Edwin

    2014-01-01

    In-situ spectroscopic ellipsometry is used for the dynamic study of thermally perturbed thin polystyrene films, swollen with n-octane or n-decane. The thermal evolution of the swollen films reveals pronounced changes both in equilibrium and kinetic properties. Upon vitrification, a kinetically

  11. Heartwood extractives of iranian morus alba wood

    International Nuclear Information System (INIS)

    Sadeghifar, H.; Sheikh, A.; Khalilzadeh, M.A.; Ebadi, A.G.

    2011-01-01

    The composition and amount of hydrophilic and lipophilic extractives in heartwood of Morus alba wood in north of Iran were analysed n-Decane (50%), dodecane (9%) and limonene (11%) were main lipophilic components. Resorcinol (about 90%) is main hydrophilic phenolic compound. (author)

  12. Viscosity Prediction of Hydrocarbon Mixtures Based on the Friction Theory

    DEFF Research Database (Denmark)

    Zeberg-Mikkelsen, Claus Kjær; Cisneros, Sergio; Stenby, Erling Halfdan

    2001-01-01

    The application and capability of the friction theory (f-theory) for viscosity predictions of hydrocarbon fluids is further illustrated by predicting the viscosity of binary and ternary liquid mixtures composed of n-alkanes ranging from n-pentane to n-decane for wide ranges of temperature and from...

  13. 40 CFR 437.44 - Effluent limitations attainable by the application of the best available technology economically...

    Science.gov (United States)

    2010-07-01

    ... Lead Mercury Nickel Silver Tin Titanium Vanadium Zinc (2) The in-plant limitations that apply to metal... Pyridine 2,4,6-trichlorophenol Metal parameters Arsenic Cadmium Chromium Cobalt Copper Lead Mercury Tin...-Cresol p-Cresol n-Decane Fluoranthene n-Octadecane Phenol Pyridine 2,4,6-trichlorophenol Metal parameters...

  14. Droplet polydispersity and shape fluctuations in AOT [bis(2-ethylhexyl)sulfosuccinate sodium salt] microemulsions studied by contrast variation small-angle neutron scattering

    DEFF Research Database (Denmark)

    Arleth, L.; Pedersen, J.S.

    2001-01-01

    Microemulsions consisting of AOT water, and decane or iso-octane are studied in the region of the phase diagram where surfactant covered water droplets are formed. The polydispersity and shape fluctuations of the microemulsion droplets are determined and compared in the two different alkane types...

  15. The influence of the type of oil phase on the self-assembly process of ¿-oryzanol + ß-sitosterol tubules in organogel systems

    NARCIS (Netherlands)

    Sawalha, H.I.M.; Margry, G.; Adel, den R.; Venema, P.; Bot, A.; Flöter, E.; Linden, van der E.

    2013-01-01

    Mixtures of ¿-oryzanol and ß-sitosterol were used to structure different oils (decane, limonene, sunflower oil, castor oil and eugenol). The ¿-oryzanol and ß-sitosterol mixtures self-assemble into double-walled hollow tubules (~10 nm in diameter) in the oil phase, which aggregate to form a network

  16. Promoters for radiation induced cross-linking in polymer substances

    International Nuclear Information System (INIS)

    Pearson, D.S.; Shurpik, A.J.

    1975-01-01

    Process for the production of vulcanizates of diolefin rubbers by irradiation of compositions containing such rubbers utilizing polyhydrosulfides such as 1,10-di-mercapto-decane as direct promoters. Indirect promoters may also be used to lower the total dose requirements. (Patent Office Record)

  17. Recrystallization phenomena of solution grown paraffin dendrites

    NARCIS (Netherlands)

    Hollander, F.F.A.; Hollander, F.; Stasse, O.; van Suchtelen, J.; van Enckevort, W.J.P.

    2001-01-01

    Paraffin crystals were grown from decane solutions using a micro-Bridgman set up for in-situ observation of the morphology at the growth front. It is shown that for large imposed velocities, dendrites are obtained. After dendritic growth, aging or recrystallization processes set in rather quickly,

  18. Highly Solvent Tolerance in Serratia marcescens IBBPo15

    Directory of Open Access Journals (Sweden)

    Mihaela Marilena Stancu

    Full Text Available ABSTRACT The aim of this study was to investigate the solvent tolerance mechanisms in Serratia marcescens strain IBBPo15 (KT315653. Serratia marcescens IBBPo15 exhibited remarkable solvent-tolerance, being able to survive in the presence of high concentrations (above 40% of toxic organic solvents, such as cyclohexane, n-hexane, n-decane, toluene, styrene, and ethylbenzene. S. marcescens IBBPo15 produced extracellular protease and the enzyme production decreased in cells exposed to 5% cyclohexane, n-hexane, toluene, styrene, and ethylbenzene, as compared with the control and n-decane exposed cells. S. marcescens IBBPo15 cells produced carotenoid pigments and alteration of pigments profile (i.e., phytoene, lycopene were observed in cells exposed to 5% cyclohexane, n-hexane, n-decane, toluene, styrene, and ethylbenzene. The exposure of S. marcescens IBBPo15 cells to 5% cyclohexane, n-hexane, n-decane, toluene, styrene, ethylbenzene induced also changes in the intracellular (e.g., 50 kDa protein and extracellular (e.g., 39, 41, 43, 53, 110 kDa proteins proteins profile. Significant RAPD, ARDRA, rep-PCR and PCR pattern modifications were not observed in DNA extracted from S. marcescens IBBPo15 cells exposed to 5% cyclohexane, n-hexane, n-decane, toluene, styrene, and ethylbenzene. Though only HAE1 and acrAB genes were detected in the genome of S. marcescens IBBPo15 cells, the unspecific amplification of other fragments being observed also when the primers for ompF and recA genes were used.

  19. Capillary pressure - saturation relations in quartz and carbonate sands: Limitations for correlating capillary and wettability influences on air, oil, and supercritical CO2 trapping

    Science.gov (United States)

    Tokunaga, T. K.; Wang, S.; Wan, J.; Dong, W.; Kim, Y.

    2016-12-01

    Capillary pressure (Pc) - saturation (Sw) relations are essential for predicting equilibrium and flow of immiscible fluid pairs in soils and deeper geologic formations. In systems that are difficult to measure, behavior is often estimated based on capillary scaling of easily measured Pc-Sw relations (e.g., air-water, and oil-water), yet the reliability of such approximations needs to be examined. In this study, seventeen sets of brine drainage and imbibition curves were measured with air-brine, decane-brine, and supercritical (sc) CO2-brine in homogeneous quartz and carbonate sands, using porous plate systems under ambient (0.1 MPa, 23 °C) and reservoir (12.0 MPa, 45 °C) conditions. Comparisons between these measurements showed significant differences in residual nonwetting phase saturation, Snw,r. Through applying capillary scaling, changes in interfacial properties were indicated, particularly wettability. With respect to the residual trapping of the nonwetting phases, Snwr, CO2 > Snwr, decane > Snwr, air. Decane-brine and scCO2-brine Pc-Sw curves deviated significantly from predictions assuming hydrophilic interactions. Moreover, neither the scaled capillary behavior nor Snw,r for scCO2-brine were well represented by decane-brine, apparently because of differences in wettability and viscosities, indicating limitations for using decane (and other organic liquids) as a surrogate fluid in studies intended to apply to geological carbon sequestration. Thus, challenges remain in applying scaling for predicting capillary trapping and multiphase displacement processes across such diverse fields as vadose zone hydrology, enhanced oil recovery, and geologic carbon sequestration.

  20. Implementing advanced data analysis techniques in near-real-time materials accounting

    International Nuclear Information System (INIS)

    Markin, J.T.; Baker, A.L.; Shipley, J.P.

    1980-01-01

    Materials accounting for special nuclear material in fuel cycle facilities is implemented more efficiently by applying decision analysis methods, based on estimation and detection theory, to analyze process data for missing material. These methods are incorporated in the computer program DECANAL, which calculates sufficient statistics containing all accounting information, sets decision thresholds, and compares these statistics to the thresholds in testing the hypothesis H 0 of no missing material against the alternative H 1 that material is missing. DECANAL output provides alarm charts indicating the likelihood of missing material and plots of statistics that estimate materials loss. This program is a useful tool for aggregating and testing materials accounting data for timely detection of missing material

  1. Production and measurement of dispersion aerosols; application to the transport of deuteron-induced and 84Kr-induced reaction recoils

    International Nuclear Information System (INIS)

    Schmidt-Ott, W.-D.; Dincklage, R.-D. von

    1977-01-01

    Dispersion aerosols were produced from various fluids and mixed with helium, nitrogen, and air. The diameter of the aerosols was estimated from their deflection in a low density micro-jet. These two-phase flows were tested for their transport performance for recoils of deuteron-induced reactions at the Goettingen cyclotron. Transport yields of 70%, 90% and 86% were measured when using n-decane with helium, nitrogen, and air, respectively. In comparison to the earlier use of ethylene the amount of disturbing activity induced on the gases was much smaller. The effect of aerosol formation by condensation is discussed. The system was applied in electron- and γ-ray spectroscopy of deuteron-induced reaction recoils. The mixture of n-decane and helium was used for the transport of 84 Kr-induced reaction recoils at the Darmstadt UNILAC. (Auth.)

  2. Manipulating Single Microdroplets of NaCl Solutions: Solvent Dissolution, Microcrystallization, and Crystal Morphology

    DEFF Research Database (Denmark)

    Utoft, Anders; Kinoshita, Koji; Bitterfield, Deborah

    2018-01-01

    that the same Epstein−Plesset (EP) model, which was originally developed for diffusion-controlled dissolution and uptake of gas, and successfully applied to liquid-in-liquid dissolution, can now also be applied to describe the diffusion-controlled uptake of water from a water-saturated environment using...... of nucleation in the decane system as compared to the octanol system. Thus, the crystal structure is reported to be dendritic for NaCl solution microdroplets dissolving rapidly and nucleating violently in octanol, while they are formed as single cubic crystals in a gentler way for solution-dissolution in decane....... These new techniques and analyses can now also be used for any other system where all relevant parameters are known. An example of this is control of drug/hydrogel/emulsion particle size change due to solvent uptake....

  3. Heterogeneous inhibition of the liquid phase oxidation of hydrocarbons by molybdenum compounds

    Energy Technology Data Exchange (ETDEWEB)

    Tavadyan, L.A.; Karapetyan, A.P.; Madatovyan, V.M.

    1988-05-01

    The heterogeneous action of molybdenum compounds: MoB, MoSe/sub 2/, MoSi/sub 2/, Mo/sub 2/C, MoO/sub 3/, Mo on the oxidation of n-decane, ethylbenzene, and nonene-1 has been investigated. A parameter representing the inhibiting effect of the heterogeneous catalyst was calculated theoretically. It was found that NoB, MoSe/sub 2/, and MoSi/sub 2/ inhibited the oxidation of n-decane at 408 K while the remaining heterogeneous contacts catalyzed it. A critical phenomenon was detected in the inhibition by MoSi/sub 2/. All the molybdenum compounds investigated inhibited the oxidation of ethylbenzene at 393 K owing to the formation of phenol by catalytic decomposition of the hydroperoxide. The liquid phase oxidation autoinhibited by phenol is described theoretically.

  4. Immobilization of enzymes by radiation-induced polymerization of glass-forming monomers

    International Nuclear Information System (INIS)

    Yoshida, M.; Kumakura, M.; Kaetsu, I.

    1979-01-01

    The effect of cooling rate of a monomeric system on the porosity and activity of an immobilized enzyme prepared by radiation-induced polymerization of 2-hydroxyethyl methacrylate at low temperatures has been studied. Slow cooling gave the same effect on porosity of the polymer as decreasing the monomer concentration. A glass-forming solvent such as diethylene glycol was added to water to study the effect of the supercooling tendency of the solvent. Addition of diethylene glycol decreased porosity and also enzymic activity. Water was replaced by the miscible solvent p-dioxane and the immiscible solvent n-decane in order to clarify the effect of solvent. p-Dioxane had a similar effect to water on the relation between the monomer concentration, porosity and activity. On the other hand, polymer prepared from the system containing n-decane showed different immobilization properties owing to the presence of independent pores in the matrix. (author)

  5. Proceedings of the Symposium on the Role of Behavioral Science in Physical Security (5th Annual) Held at Gaithersburg, Maryland, June 11-12, 1980

    Science.gov (United States)

    1981-06-01

    Based on our knowledge of other types of biological receptors, such as those which interact with acetylcholine, insulin , and certain steroid hormones... phosphatidylcholine bilayer. The properties of the bilayer are then examined in a number of ways as described in the next section. Recent work by Cagan fill has given...odorants. THE BIOPHYSICS OF OLFACTORY DETECTION Artificial bilayer membranes are prepared from cholesterol, n-decane and phosphatidylcholine . These

  6. Preferential methanogenic biodegradation of short-chain n-alkanes by microbial communities from two different oil sands tailings ponds.

    Science.gov (United States)

    Mohamad Shahimin, Mohd Faidz; Foght, Julia M; Siddique, Tariq

    2016-05-15

    Oil sands tailings ponds harbor diverse anaerobic microbial communities capable of methanogenic biodegradation of solvent hydrocarbons entrained in the tailings. Mature fine tailings (MFT) from two operators (Albian and CNRL) that use different extraction solvents were incubated with mixtures of either two (n-pentane and n-hexane) or four (n-pentane, n-hexane, n-octane and n-decane) n-alkanes under methanogenic conditions for ~600 d. Microbes in Albian MFT began methane production by ~80 d, achieving complete depletion of n-pentane and n-hexane in the two-alkane mixture and their preferential biodegradation in the four-alkane mixture. Microbes in CNRL MFT preferentially metabolized n-octane and n-decane in the four-alkane mixture after a ~80 d lag but exhibited a lag of ~360 d before commencing biodegradation of n-pentane and n-hexane in the two-alkane mixture. 16S rRNA gene pyrosequencing revealed Peptococcaceae members as key bacterial n-alkane degraders in all treatments except CNRL MFT amended with the four-alkane mixture, in which Anaerolineaceae, Desulfobacteraceae (Desulfobacterium) and Syntrophaceae (Smithella) dominated during n-octane and n-decane biodegradation. Anaerolineaceae sequences increased only in cultures amended with the four-alkane mixture and only during n-octane and n-decane biodegradation. The dominant methanogens were acetoclastic Methanosaetaceae. These results highlight preferential n-alkane biodegradation by microbes in oil sands tailings from different producers, with implications for tailings management and reclamation. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Wettability alteration properties of fluorinated silica nanoparticles in liquid-loaded pores: An atomistic simulation

    International Nuclear Information System (INIS)

    Sepehrinia, Kazem; Mohammadi, Aliasghar

    2016-01-01

    Highlights: • Properties of fluorinated silica nanoparticles were investigated in water or decane-loaded pores of mineral silica using molecular dynamics simulation. • The water or decane-loaded pores represent liquid bridging. • Addition of nanoparticles to liquid-loaded pores results in weakening of the liquid bridge. • The hydrophobicity of the pore wall increases in the presence of adsorbed fluorinated silica nanoparticles. - Abstract: Control over the wettability of reservoir rocks is of crucial importance for enhancing oil and gas recovery. In order to develop chemicals for controlling the wettability of reservoir rocks, we present a study of functionalized silica nanoparticles as candidates for wettability alteration and improved gas recovery applications. In this paper, properties of fluorinated silica nanoparticles were investigated in water or decane-loaded pores of mineral silica using molecular dynamics simulation. Trifluoromethyl groups as water and oil repellents were placed on the nanoparticles. Simulating a pore in the presence of trapped water or decane molecules leads to liquid bridging for both of the liquids. Adsorption of nanoparticles on the pore wall reduces the density of liquid molecules adjacent to the wall. The density of liquid molecules around the nanoparticles decreases significantly with increasing the number of trifluoromethyl groups on the nanoparticles’ surfaces. An increased hydrophobicity of the pore wall was observed in the presence of adsorbed fluorinated silica nanoparticles. Also, it is observed that increasing the number of the trifluoromethyl groups results in weakening of liquid bridges. Moreover, the free energy of adsorption on mineral surface was evaluated to be more favorable than that of aggregation of nanoparticles, which suggests nanoparticles adsorb preferably on mineral surface.

  8. Hydrogen Bonding Patterns in a Series of 3-Spirocyclic Oxindoles ...

    African Journals Online (AJOL)

    )-one (1), (rel-1R,2S)-spiro[bicyclo[2.2.1] heptane-2,3'-indol] 2'(1'H)-one (2) and spiro[indole-3,2'-tricyclo[3.3.1.13,7]decan]-2(1H)-one (3) have been determined by low temperature single crystal X-ray diffraction. The effects of substitution on ...

  9. A stable enol from a 6-substituted benzanthrone and its unexpected behaviour under acidic conditions

    Directory of Open Access Journals (Sweden)

    Marc Debeaux

    2009-06-01

    Full Text Available Treatment of benzanthrone (1 with biphenyl-2-yl lithium leads to the surprisingly stable enol 4, which is converted by dehydrogenation into the benzanthrone derivative 7. Under acidic conditions 4 isomerises to the spiro compound 11 and the bicyclo[4.3.1]decane derivative 12. Furthermore, the formation of 7 and the hydrogenated compound 13 is observed. A mechanism for the formation of the reaction products is proposed and supported by DFT calculations.

  10. Wettability alteration properties of fluorinated silica nanoparticles in liquid-loaded pores: An atomistic simulation

    Energy Technology Data Exchange (ETDEWEB)

    Sepehrinia, Kazem; Mohammadi, Aliasghar, E-mail: amohammadi@sharif.edu

    2016-05-15

    Highlights: • Properties of fluorinated silica nanoparticles were investigated in water or decane-loaded pores of mineral silica using molecular dynamics simulation. • The water or decane-loaded pores represent liquid bridging. • Addition of nanoparticles to liquid-loaded pores results in weakening of the liquid bridge. • The hydrophobicity of the pore wall increases in the presence of adsorbed fluorinated silica nanoparticles. - Abstract: Control over the wettability of reservoir rocks is of crucial importance for enhancing oil and gas recovery. In order to develop chemicals for controlling the wettability of reservoir rocks, we present a study of functionalized silica nanoparticles as candidates for wettability alteration and improved gas recovery applications. In this paper, properties of fluorinated silica nanoparticles were investigated in water or decane-loaded pores of mineral silica using molecular dynamics simulation. Trifluoromethyl groups as water and oil repellents were placed on the nanoparticles. Simulating a pore in the presence of trapped water or decane molecules leads to liquid bridging for both of the liquids. Adsorption of nanoparticles on the pore wall reduces the density of liquid molecules adjacent to the wall. The density of liquid molecules around the nanoparticles decreases significantly with increasing the number of trifluoromethyl groups on the nanoparticles’ surfaces. An increased hydrophobicity of the pore wall was observed in the presence of adsorbed fluorinated silica nanoparticles. Also, it is observed that increasing the number of the trifluoromethyl groups results in weakening of liquid bridges. Moreover, the free energy of adsorption on mineral surface was evaluated to be more favorable than that of aggregation of nanoparticles, which suggests nanoparticles adsorb preferably on mineral surface.

  11. Metric Identification and Protocol Development for Characterizing DNAPL Source Zone Architecture and Associated Plume Response

    Science.gov (United States)

    2013-09-01

    as received. Trichloroethene (TCE), 2-proponal, decane, dodecane, calcium chloride (CaCl2) dehydrate and sodium chloride (NaCl) were obtained from... calcium chloride dehydrate were obtained from Fisher Scientific (Fairlawn, NJ). PCE, pentafluorobenzoic acid (PFBA) and sodium fluorescein were...radial flow and the potential for DNAPL to be localized within one sector of the well circumference. Heterogeneous geology may necessitate the use

  12. A doppio senso: istruzioni su come orientarsi nelle immagini astrologiche di Palazzo Schifanoia

    Directory of Open Access Journals (Sweden)

    Marco Bertozzi

    2012-10-01

    Full Text Available In the “Sala dei Mesi” of Palazzo Schifanoia the months and the zodiacal constellations go from right to left, while the decans (three for every sign go in the opposite direction. This problem was not  clarified by Aby Warburg in his well-known essay Italian Art and International Astrology in the Palazzo Schifanoia of Ferrara (1912. The purpose of this paper is to investigate the reasons of this double direction.

  13. Bioethanol in Biofuels Checked by an Amperometric Organic Phase Enzyme Electrode (OPEE Working in “Substrate Antagonism” Format

    Directory of Open Access Journals (Sweden)

    Mauro Tomassetti

    2016-08-01

    Full Text Available The bioethanol content of two samples of biofuels was determined directly, after simple dilution in decane, by means of an amperometric catalase enzyme biosensor working in the organic phase, based on substrate antagonisms format. The results were good from the point of view of accuracy, and satisfactory for what concerns the recovery test by the standard addition method. Limit of detection (LOD was on the order of 2.5 × 10−5 M.

  14. Evaporation of Particle-Stabilized Emulsion Sunscreen Films.

    Science.gov (United States)

    Binks, Bernard P; Fletcher, Paul D I; Johnson, Andrew J; Marinopoulos, Ioannis; Crowther, Jonathan M; Thompson, Michael A

    2016-08-24

    We recently showed (Binks et al., ACS Appl. Mater. Interfaces, 2016, DOI: 10.1021/acsami.6b02696) how evaporation of sunscreen films consisting of solutions of molecular UV filters leads to loss of UV light absorption and derived sun protection factor (SPF). In the present work, we investigate evaporation-induced effects for sunscreen films consisting of particle-stabilized emulsions containing a dissolved UV filter. The emulsions contained either droplets of propylene glycol (PG) in squalane (SQ), droplets of SQ in PG or droplets of decane in PG. In these different emulsion types, the SQ is involatile and shows no evaporation, the PG is volatile and evaporates relatively slowly, whereas the decane is relatively very volatile and evaporates quickly. We have measured the film mass and area, optical micrographs of the film structure, and the UV absorbance spectra during evaporation. For emulsion films containing the involatile SQ, evaporation of the PG causes collapse of the emulsion structure with some loss of specular UV absorbance due to light scattering. However, for these emulsions with droplets much larger than the wavelength of light, the light is scattered only at small forward angles so does not contribute to the diffuse absorbance and the film SPF. The UV filter remains soluble throughout the evaporation and thus the UV absorption by the filter and the SPF remain approximately constant. Both PG-in-SQ and SQ-in-PG films behave similarly and do not show area shrinkage by dewetting. In contrast, the decane-in-PG film shows rapid evaporative loss of the decane, followed by slower loss of the PG resulting in precipitation of the UV filter and film area shrinkage by dewetting which cause the UV absorbance and derived SPF to decrease. Measured UV spectra during evaporation are in reasonable agreement with spectra calculated using models discussed here.

  15. Correlation of phase equilibria for water + hydrocarbon systems at high temperatures and pressures by cubic equation of state

    Energy Technology Data Exchange (ETDEWEB)

    Haruki, Masashi; Yahiro, Yukihito; Higashi, Hidenori; Iwai, Yoshio; Arai, Yasuhiko [Kyushu University, FUkuoka (Japan). Graduate School of Engineering

    1999-08-01

    A modified-Soave-Redlich-Kwong (MSRK) equation of state with an exponent-type mixing rule for the energy parameter and a conventional rule for the size parameter is applied to correlate the phase equilibria for four binary mixtures of water + hydrocarbon (benzene, hexane, decane, and dodecane) systems at high temperatures and pressures. It is noted that good correlation results are obtained by using the mixing rules with interaction parameters between unlike molecules. (author)

  16. On flotation separation of oxo-anions of transition metals by the use of fine-emulsified solutions of cationic collector in non-polar liquids

    International Nuclear Information System (INIS)

    Skrylev, L.D.; Purich, A.N.; Babinets, S.K.

    1980-01-01

    Experimentally shown is a principle possibility of flotation separation of oxo-anions of transition metals by the use of fine-emulsified solutions of cationic collector in non-polar liquids. Ammonium vanadate and sodium tuno.state solutions have been the objects of study. Hexadezilamine has been used as collector. The collector has been introduced in the form of hexadecylamine emulsions in n-decane, in tetrachloromethane or alcohol. Optimum pH value ranges are determined for separation processes

  17. A path flux analysis method for the reduction of detailed chemical kinetic mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Wenting; Ju, Yiguang [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544 (United States); Chen, Zheng [State Key Laboratory for Turbulence and Complex Systems, College of Engineering, Peking University, Beijing 100871 (China); Gou, Xiaolong [School of Power Engineering, Chongqing University, Chongqing 400044 (China)

    2010-07-15

    A direct path flux analysis (PFA) method for kinetic mechanism reduction is proposed and validated by using high temperature ignition, perfect stirred reactors, and steady and unsteady flame propagations of n-heptane and n-decane/air mixtures. The formation and consumption fluxes of each species at multiple reaction path generations are analyzed and used to identify the important reaction pathways and the associated species. The formation and consumption path fluxes used in this method retain flux conservation information and are used to define the path indexes for the first and the second generation reaction paths related to a targeted species. Based on the indexes of each reaction path for the first and second generations, different sized reduced chemical mechanisms which contain different number of species are generated. The reduced mechanisms of n-heptane and n-decane obtained by using the present method are compared to those generated by the direct relation graph (DRG) method. The reaction path analysis for n-decane is conducted to demonstrate the validity of the present method. The comparisons of the ignition delay times, flame propagation speeds, flame structures, and unsteady spherical flame propagation processes showed that with either the same or significantly less number of species, the reduced mechanisms generated by the present PFA are more accurate than that of DRG in a broad range of initial pressures and temperatures. The method is also integrated with the dynamic multi-timescale method and a further increase of computation efficiency is achieved. (author)

  18. Formation and stability of crust in molten pools. Technical progress report, February 1, 1977--October 1, 1977

    International Nuclear Information System (INIS)

    Bankoff, S.G.; Ganguli, A.

    1977-01-01

    The objective of the research is to study the formation and stability of a freezing-melting process under well-defined hydrodynamic and thermal boundary conditions simulating LMFBR HCDA phenomena. A hot liquid, such as molten UO 2 , comes into contact with a cold solid, such as stainless steel forming a solid crust at the interface, possibly accompanied by the simultaneous formation of a melt layer. The stability and rate of growth of the crust and underlying melt layer are thus of concern. A steady flowpast an initially flat slab of the cold solid is considered. The experimental apparatus consists of a horizontal rectangular test section in which a frozen slab of n-decane 18-in. long and 4-in. wide, supported on a refrigerated copper block, is exposed to a flowing stream of cold water. Temperature profiles in the decane will be measured, as well as the rate of liquid decane collection, and the ice crust and melt layer profiles, if stable. These will be compared with theoretical predictions, following an integral boundary layer method. Current efforts are focussed on improving the mold release properties and other debugging operations

  19. Characterization of Polyethylene Oxide and Sodium Alginate for Oil Contaminated-Sand Remediation

    Directory of Open Access Journals (Sweden)

    Jongwon Jung

    2017-01-01

    Full Text Available Biopolymers have been employed in many soil applications, such as oil-contaminated soil remediation, due to their environmentally friendly characteristics. This study focused on changes in the wettability and viscosity of polyethylene oxide (PEO and sodium alginate (SA, according to the variation in concentration and their impact on oil-contaminated soil remediation using biopolymer-decane displacement tests. The contact angle and interfacial tension vary with concentration by adding biopolymer to water; however both parameters yield relatively constant values within the range of 2–10 g/L for the concentration of PEO and SA. In this study, their influence on fluid invasion patterns is insignificant compared to viscosity and flow rate. Viscosity increases with the concentration of PEO and SA, within the range of 0–10 g/L, which causes the biopolymer-decane displacement ratio to increase with concentration. Biopolymer-decane displacement increases with injected fluid velocity. At low flow rates, the effect of the biopolymer concentration on the displacement ratio is prominent. However the effect decreases with an increase in flow rate. Thus both biopolymer concentration and injection velocity should be considered to achieve the economic efficiency of soil remediation. The experimental results for the distribution of soils with different grain sizes indicate that the displacement ratio increases with the uniformity of the coefficient of soils.

  20. Manipulating Single Microdroplets of NaCl Solutions

    DEFF Research Database (Denmark)

    Utoft, Anders; Kinoshita, Koji; Bitterfield, Deborah

    2018-01-01

    fraction of S = 1.9, the saturation concentration of NaCl in aqueous solution as measured with nanograms of material (5.5 ± 0.1 M), the diffusion coefficient for water in octanol, D = (1.96 ± 0.10) × 10−6 cm2/s, and the effect of the solvent’s activity on dissolution kinetics. It is further shown...... growth are affected by changing the bathing medium from octanol to decane. A much slower loss of water-solvent and concomitant slower up-concentration of the NaCl solute resulted in a lower tendency to nucleate and slower crystal growth because much less excess material was available at the onset...... of nucleation in the decane system as compared to the octanol system. Thus, the crystal structure is reported to be dendritic for NaCl solution microdroplets dissolving rapidly and nucleating violently in octanol, while they are formed as single cubic crystals in a gentler way for solution-dissolution in decane...

  1. Visual observation of gas hydrates nucleation and growth at a water - organic liquid interface

    Science.gov (United States)

    Stoporev, Andrey S.; Semenov, Anton P.; Medvedev, Vladimir I.; Sizikov, Artem A.; Gushchin, Pavel A.; Vinokurov, Vladimir A.; Manakov, Andrey Yu.

    2018-03-01

    Visual observation of nucleation sites of methane and methane-ethane-propane hydrates and their further growth in water - organic liquid - gas systems with/without surfactants was carried out. Sapphire Rocking Cell RCS6 with transparent sapphire cells was used. The experiments were conducted at the supercooling ΔTsub = 20.2 °C. Decane, toluene and crude oils were used as organics. Gas hydrate nucleation occurred on water - metal - gas and water - sapphire - organic liquid three-phase contact lines. At the initial stage of growth hydrate crystals rapidly covered the water - gas or water - organics interfaces (depending on the nucleation site). Further hydrate phase accrete on cell walls (sapphire surface) and into the organics volume. At this stage, growth was accompanied by water «drawing out» from under initial hydrate film formed at water - organic interface. Apparently, it takes place due to water capillary inflow in the reaction zone. It was shown that the hydrate crystal morphology depends on the organic phase composition. In the case of water-in-decane emulsion relay hydrate crystallization was observed in the whole sample, originating most likely due to the hydrate crystal intergrowth through decane. Contacts of such crystals with adjacent water droplets result in rapid hydrate crystallization on this droplet.

  2. Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach

    Energy Technology Data Exchange (ETDEWEB)

    Trément, Sébastien; Rousseau, Bernard, E-mail: bernard.rousseau@u-psud.fr [Laboratoire de Chimie-Physique, UMR 8000 CNRS, Université Paris-Sud, Orsay (France); Schnell, Benoît; Petitjean, Laurent; Couty, Marc [Manufacture Française des Pneumatiques MICHELIN, Centre de Ladoux, 23 place des Carmes, 63000 Clermont-Ferrand (France)

    2014-04-07

    We apply operational procedures available in the literature to the construction of coarse-grained conservative and friction forces for use in dissipative particle dynamics (DPD) simulations. The full procedure rely on a bottom-up approach: large molecular dynamics trajectories of n-pentane and n-decane modeled with an anisotropic united atom model serve as input for the force field generation. As a consequence, the coarse-grained model is expected to reproduce at least semi-quantitatively structural and dynamical properties of the underlying atomistic model. Two different coarse-graining levels are studied, corresponding to five and ten carbon atoms per DPD bead. The influence of the coarse-graining level on the generated force fields contributions, namely, the conservative and the friction part, is discussed. It is shown that the coarse-grained model of n-pentane correctly reproduces self-diffusion and viscosity coefficients of real n-pentane, while the fully coarse-grained model for n-decane at ambient temperature over-predicts diffusion by a factor of 2. However, when the n-pentane coarse-grained model is used as a building block for larger molecule (e.g., n-decane as a two blobs model), a much better agreement with experimental data is obtained, suggesting that the force field constructed is transferable to large macro-molecular systems.

  3. Recent Advances In Science Support For Isolated Droplet Combustion Experiments

    Science.gov (United States)

    Dryer, F. L.; Kazakov, A.; Urban, B. D.; Kroenlein, K.

    2003-01-01

    In a joint program involving Prof. F.A. Williams of the University of California, San Diego and Dr. V. Nayagam of the National Center for Microgravity Research, the combustion characteristics of isolated liquid fuel droplets of n-heptane, n-decane, methanol, methanol-water, ethanol and ethanol-water having initial diameters between about 1 mm and 6 mm continues to be investigated. The objectives of the work are to improve fundamental knowledge of droplet combustion dynamics for pure fuels and fuel-water mixtures through microgravity experiments and theoretical analyses. The Princeton contributions support the engineering design, data analysis, and data interpretation requirements for the study of initially single component, spherically symmetric, isolated droplet combustion studies through experiments and numerical modeling. UCSD contributions are described in a companion communication in this conference. The Princeton effort also addresses the analyses of Fiber Supported Droplet Combustion (FSDC) experiments conducted with the above fuels and collaborative work with others who are investigating droplet combustion in the presence of steady convection. A thorough interpretation of droplet burning behavior for n-heptane and n-decane over a relatively wide range of conditions also involves the influences of sooting on the combustion behavior, and this particular aspect on isolated burning of droplets is under consideration in a collaborative program underway with Drexel University. This collaboration is addressed in another communication at this conference. The one-dimensional, time-dependent, numerical modeling approach that we have continued to evolve for analyzing isolated, quiescent droplet combustion data has been further applied to investigate several facets of isolated droplet burning of simple alcohols, n-heptane, and n-decane. Some of the new results are described below.

  4. Effects of Supercritical Environment on Hydrocarbon-fuel Injection

    Institute of Scientific and Technical Information of China (English)

    Bongchul Shin; Dohun Kim; Min Son; Jaye Koo

    2017-01-01

    In this study,the effects of environment conditions on decane were investigated.Decane was injected in subcritical and supercritical ambient conditions.The visualization chamber was pressurized to 1.68 MPa by using nitrogen gas at a temperature of 653 K for subcritical ambient conditions.For supercritical ambient conditions,the visualization chamber was pressurized to 2.52 MPa by using helium at a temperature of 653 K.The decane injection in the pressurized chamber was visualized via a shadowgraph technique and gradient images were obtained by a post processing method.A large variation in density gradient was observed at jet interface in the case of subcritical injection in subcritical ambient conditions.Conversely,for supercritical injection in supercritical ambient conditions,a small density gradient was observed at the jet interface.In a manner similar to that observed in other cases,supercritical injection in subcritical ambient conditions differed from supercritical ambient conditions such as sphere shape liquid.Additionally,there were changes in the interface,and the supercritical injection core width was thicker than that in the subcritical injection.Furthermore,in cases with the same injection conditions,the change in the supercritical ambient normalized core width was smaller than the change in the subcritical ambient normalized core width owing to high specific heat at the supercritical injection and small phase change at the interface.Therefore,the interface was affected by the changing ambient condition.Given that the effect of changing the thermodynamic properties of propellants could be essential for a variable thrust rocket engine,the effects of the ambient conditions were investigated experimentally.

  5. Analysis of Endogenous Alkanes and Aldehydes in the Exhaled Breath of Workers Exposed to Silica Containing Dust

    Directory of Open Access Journals (Sweden)

    Mahdi Jalali

    2015-03-01

    Full Text Available Background & Objectives : Silica is one of the most air pollutant in workplaces which long-term occupational exposure to silica is associated with an increased risk for respiratory diseases such as silicosis. Silicosis is an oxidative stress related disease and can lead to the development of lung cancer. This study aims to analysis of endogenous alkanes and aldehydes in the exhaled breath of workers exposed to silica containing dusts. Methods: In this study, the exhaled breath of 20 workers exposed to silica containing dust (case group, 20 healthy non-smokers and 25 healthy smokers (control group were analyzed. The breath samples using 3-liter Tedlar bags were collected. The volatile organic compounds (VOCs were extracted with solid phase micro-extraction (SPME and analyzed using gas chromatography-mass spectrometry (GC- MS. Result: Totally, thirty nine VOCs were found in all breath samples (at least once. Aldehydes and alkanes such as acetaldehyde, hexanal, nonanal, decane, pentadecane, 2-methle propane, 3-methyle pentane and octane were detected in the exhaled breath subjects. Among the these compounds, mean peak area of acetaldehyde, hexanal, nonanal, decane and pentadecane were higher in the exhaled breath of an case group than control groups (Pvalue<0.05 . Conclusions : The use of exhaled breath analysis as well as new media in the occupational toxicology and exposure biomarker assessment studies. It seems that acetaldehyde, hexanal, nonanal, decane and pentadecane can be considered as useful breath biomarkers for exposure assessment of silica containing dust. However, additional studies are needed to confirm thes results.

  6. Self-seeding in one dimension: a route to uniform fiber-like nanostructures from block copolymers with a crystallizable core-forming block.

    Science.gov (United States)

    Qian, Jieshu; Lu, Yijie; Chia, Anselina; Zhang, Meng; Rupar, Paul A; Gunari, Nikhil; Walker, Gilbert C; Cambridge, Graeme; He, Feng; Guerin, Gerald; Manners, Ian; Winnik, Mitchell A

    2013-05-28

    One-dimensional micelles formed by the self-assembly of crystalline-coil poly(ferrocenyldimethylsilane) (PFS) block copolymers exhibit self-seeding behavior when solutions of short micelle fragments are heated above a certain temperature and then cooled back to room temperature. In this process, a fraction of the fragments (the least crystalline fragments) dissolves at elevated temperature, but the dissolved polymer crystallizes onto the ends of the remaining seed fragments upon cooling. This process yields longer nanostructures (up to 1 μm) with uniform width (ca. 15 nm) and a narrow length distribution. In this paper, we describe a systematic investigation of factors that affect the self-seeding behavior of PFS block copolymer micelle fragments. For PI(1000)-PFS(50) (the subscripts refer to the number average degree of polymerization) in decane, these factors include the presence of a good solvent (THF) for PFS and the effect of annealing the fragments prior to the self-seeding experiments. THF promoted the dissolution of the micelle fragments, while preannealing improved their stability. We also extended our experiments to other PFS block copolymers with different corona-forming blocks. These included PI(637)-PFS(53) in decane, PFS(60)-PDMS(660) in decane (PDMS = polydimethylsiloxane), and PFS(30)-P2VP(300) in 2-propanol (P2VP = poly(2-vinylpyridine)). The most remarkable result of these experiments is our finding that the corona-forming chain plays an important role in affecting how the PFS chains crystallize in the core of the micelles and, subsequently, the range of temperatures over which the micelle fragments dissolve. Our results also show that self-seeding is a versatile approach to generate uniform PFS fiber-like nanostructures, and in principle, the method should be extendable to a wide variety of crystalline-coil block copolymers.

  7. 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.

  8. Effects of supercritical environment on hydrocarbon-fuel injection

    Science.gov (United States)

    Shin, Bongchul; Kim, Dohun; Son, Min; Koo, Jaye

    2017-04-01

    In this study, the effects of environment conditions on decane were investigated. Decane was injected in subcritical and supercritical ambient conditions. The visualization chamber was pressurized to 1.68 MPa by using nitrogen gas at a temperature of 653 K for subcritical ambient conditions. For supercritical ambient conditions, the visualization chamber was pressurized to 2.52 MPa by using helium at a temperature of 653 K. The decane injection in the pressurized chamber was visualized via a shadowgraph technique and gradient images were obtained by a post processing method. A large variation in density gradient was observed at jet interface in the case of subcritical injection in subcritical ambient conditions. Conversely, for supercritical injection in supercritical ambient conditions, a small density gradient was observed at the jet interface. In a manner similar to that observed in other cases, supercritical injection in subcritical ambient conditions differed from supercritical ambient conditions such as sphere shape liquid. Additionally, there were changes in the interface, and the supercritical injection core width was thicker than that in the subcritical injection. Furthermore, in cases with the same injection conditions, the change in the supercritical ambient normalized core width was smaller than the change in the subcritical ambient normalized core width owing to high specific heat at the supercritical injection and small phase change at the interface. Therefore, the interface was affected by the changing ambient condition. Given that the effect of changing the thermodynamic properties of propellants could be essential for a variable thrust rocket engine, the effects of the ambient conditions were investigated experimentally.

  9. Synthesis and purification of oxide nanoparticle dispersions by modified emulsion precipitation.

    Science.gov (United States)

    Shi, Jingyu; Verweij, Henk

    2005-06-07

    ZrO2 and Fe2O3 precursor nanoparticles are synthesized, well-dispersed in decane, via a modified emulsion precipitation (MEP) method. This method starts with preparing two thermostable water-in-oil (w/o) emulsions with nonylphenol tetra(ethylene glycol) ether (Arkopal-40) as the main surfactant, didodecyldimethylammonium bromide (DiDAB) as the cosurfactant, decane as the continuous oil phase, and either a metal salt solution or a hexamethylenetetramine (HMTA) precipitation agent solution as the dispersed water phase. After mixing of the two emulsions, individual precursor particles are formed by precipitation in the confinement of the aqueous solution droplets. Excess water is removed by azeotropic distillation, and steric stabilization of the particles in the remaining oil medium is achieved with poly(octadecyl methacrylate) (PODMA), initially present dissolved in the oil phase. A purification process is conducted to remove the precipitation reaction byproduct and excess surfactants from the nanoparticle dispersions. Transmission electron microscopy (TEM) characterization shows that the ZrO2 and Fe2O3 precursor nanoparticles are both non-agglomerated, spherical, and have a narrow particle size distribution, centered at 4 nm in diameter. The precipitation from the dispersion of byproduct NH4Cl after water removal, and insoluble surfactant DiDAB after dilution with pure decane, is confirmed by X-ray diffraction (XRD). NMR results show that most of the oil-soluble surfactant Arkopal-40 can be removed from the dispersion by a 3x repeated dead-end pressure filtration process. It is shown that, after purification, the nanoparticle dispersions can be used for the preparation of homogeneous nanostructured coatings. The purification procedure as discussed provides guidelines for up-scaling the process and reuse of emulsifiers.

  10. Magnox waste storage complex

    International Nuclear Information System (INIS)

    Anon.

    1990-01-01

    This article looks at the design and construction of British Nuclear Fuel Limited's (BNFL) Magnox waste storage complex by Costain Engineering Limited. Magnox swarf from fuel decanning is stored underwater in specially designed silos. Gas processing capabilities from Costain Engineering Limited and the experience of BNFL combined in this project to provide the necessary problem-solving skills necessary for this waste storage upgrading and extension project. A retrofitted inerting facility was fitted to an existing building and a new storage extension was fitted, both without interrupting reprocessing operations at Sellafield. (UK)

  11. Alkane dimers interaction

    DEFF Research Database (Denmark)

    Ferrighi, Lara; Madsen, Georg Kent Hellerup; Hammer, Bjørk

    2010-01-01

    The interaction energies of a series of n-alkane dimers, from methane to decane, have been investigated with Density Functional Theory (DFT), using the MGGA-M06-L density functional. The results are compared both to the available wavefunction-based values as well as to dispersion corrected DFT...... values. The MGGA-M06-L density functional is a semi-local functional designed and has proven to provide accurate estimates of dispersion interactions for several systems at moderate computational cost. In the present application, it reproduces the trends obtained by the more expensive wavefunction...

  12. Relative viscosity of emulsions in simple shear flow: Temperature, shear rate, and interfacial tension dependence

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Se Bin; Lee, Joon Sang [Dept. of Mechanical Engineering, Yonsei Unversity, Seoul (Korea, Republic of)

    2015-08-15

    We simulate an emulsion system under simple shear rates to analyze its rheological characteristics using the lattice Boltzmann method (LBM). We calculate the relative viscosity of an emulsion under a simple shear flow along with changes in temperature, shear rate, and surfactant concentration. The relative viscosity of emulsions decreased with an increase in temperature. We observed the shear-thinning phenomena, which is responsible for the inverse proportion between the shear rate and viscosity. An increase in the interfacial tension caused a decrease in the relative viscosity of the decane-in-water emulsion because the increased deformation caused by the decreased interfacial tension significantly influenced the wall shear stress.

  13. Evaluation of equations of state for simultaneous representation of phase equilibrium and critical phenomena

    DEFF Research Database (Denmark)

    Pinto Coelho Muniz Vinhal, Andre; Yan, Wei; Kontogeorgis, Georgios

    2017-01-01

    of the Cubic-Plus-Association (CPA) equation of state (EoS). We obtained new parameters for methanol and alkanes from n-hexane to n-decane. The comparison with the original parameters showed that this procedure is important for associating compounds, since for inert species the equation reduces to the Soave......-Redlich-Kwong (SRK) EoS. The application of the rescaled parameters improved the critical point representation of pure fluids at the expense of the saturated liquid phase volume description. In the case of binary mixtures containing methanol and n-alkanes, the association model with the new parameters satisfactorily...

  14. Irradiation studies of mallard duck eggs material containing Mirex

    International Nuclear Information System (INIS)

    Lane, R.H.; Grodner, R.M.; Graves, J.L.

    1976-01-01

    Eggs containing Mirex (dodecachloropentacyclo[5.3.0.0 2 , 6 .0 3 , 9 .0 4 , 8 ]decane) from mallard ducks (Anas platyrhychos l.), fed diets with the insecticide incorporated at levels of 1 and 100 ppM for 25 weeks, were subjected to ultraviolet (uv) and γ irradiation. Seven derivatives were obtained on photolysis and eight derivatives were obtained from γ irradiation. Irradiation products appeared to be mono and dihydro derivatives of Mirex. Structural assignments for two monohydro derivatives and three dihydro derivatives were made on the basis of retention time and mass spectral data

  15. Identification of defensive compounds in metathoracic glands of adults of the stink bug Dichelops melacanthus (Hemiptera: Pentatomidae)

    Energy Technology Data Exchange (ETDEWEB)

    Marques, Francisco A.; Wendler, Edison P.; Maia, Beatriz Helena L.N. Sales [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Dept. de Quimica]. E-mail: francisco.marques@pesquisador.cnpq.br; Ventura, Mauricio U.; Arruda-Gatti, Iara Cintra [Universidade Estadual de Londrina (UEL), PR (Brazil). Centro de Ciencias Agrarias. Dept. de Agronomia

    2007-07-01

    The contents of metathoracic glands of adults of the stink bug Dichelops melacanthus (Hemiptera: Pentatomidae) were analyzed. Compounds were identified by gas chromatography (GC), coupled GC-mass spectrometry and matching retention indices and mass spectra with those of authentic samples. Tridecane was the major component followed by lesser and approximately equal amounts of (E)-4-oxo-2-hexenal and (E)-2-octenal. Other compounds identified include (E)-2-hexenal, decane, (E)-2-hexenyl acetate, undecane, (E)-4-oxo-2-octenal, dodecane, (E)-2-octenyl acetate, 1-tridecene, tetradecane and pentadecane. (author)

  16. Identification of defensive compounds in metathoracic glands of adults of the stink bug Dichelops melacanthus (Hemiptera: Pentatomidae)

    International Nuclear Information System (INIS)

    Marques, Francisco A.; Wendler, Edison P.; Maia, Beatriz Helena L.N. Sales; Ventura, Mauricio U.; Arruda-Gatti, Iara Cintra

    2007-01-01

    The contents of metathoracic glands of adults of the stink bug Dichelops melacanthus (Hemiptera: Pentatomidae) were analyzed. Compounds were identified by gas chromatography (GC), coupled GC-mass spectrometry and matching retention indices and mass spectra with those of authentic samples. Tridecane was the major component followed by lesser and approximately equal amounts of (E)-4-oxo-2-hexenal and (E)-2-octenal. Other compounds identified include (E)-2-hexenal, decane, (E)-2-hexenyl acetate, undecane, (E)-4-oxo-2-octenal, dodecane, (E)-2-octenyl acetate, 1-tridecene, tetradecane and pentadecane. (author)

  17. A view from the nuclear fuel reprocessing industry

    International Nuclear Information System (INIS)

    Smith, R.; Hartley, G.

    1982-01-01

    Radiological protection in UK nuclear industry is discussed, with special reference to British Nuclear Fuels Ltd. The following aspects are covered: historical introduction, relevant legislation and general principles; radioactive decay processes (fission, fission products, radio-isotopes, ionising radiations, neutrons); risk assessment (historical, biological radiation effects; ICRP recommendations, dose limits); cost effectiveness of protection; plant design principles; examples of containment (shielding, ventilation and contamination control required for various types of radioactive materials, e.g. fission products, plutonium, depleted uranium; fuel rod storage ponds and decanning caves; fission products at dissolution stage; glovebox handling of Pu operations; critical assembly of fissile materials; surface contamination control; monitoring radiation levels). (U.K.)

  18. Small angle neutron scattering study on a phase separation in a 3-component microemulsion system

    International Nuclear Information System (INIS)

    Seto, Hideki; Yokoi, Eiji; Komura, Shigehiro; Schwahn, Dietmar; Mortensen, Kell; Suzuki, Junichi; Funahashi, Satoru; Ito, Yuji.

    1993-01-01

    The mixture of three components, water, n-decane and 2-ethylhexylsulfosuccinate (AOT), is a well-known system that forms a 'water-in-oil' microemulsion at room temperature and decomposes with increasing temperature, thereby being associated with a critical phenomenon. Experimental results in previous literature, indicate that the phenomenon is interpreted to be that of the 3D-Ising, but we obtained the meanfield behavior of the susceptibility at 'near-critical region' by a small angle neutron scattering. The observed spinodal and binodal points were well explained assuming the van der Waals free energy expression. (author)

  19. Distribution of MEG and methanol in well-defined hydrocarbon and water systems: Experimental measurement and modeling using the CPA EoS

    DEFF Research Database (Denmark)

    Riaz, Muhammad; Yussuf, Mustafe A.; Kontogeorgis, Georgios

    2013-01-01

    + water. These data are satisfactorily correlated (binaries) and predicted (ternaries) using Cubic Plus Association (CPA) equation of state (EoS). CPA is also applied to binary LLE of aromatic hydrocarbon + water and VLE of methane + methanol. Finally the distribution of water and inhibitors (methanol...... and MEG) in various phases is modeled using CPA. The hydrocarbon phase consists of mixture-1 (methane, ethane, n-butane) or mixture-2 (methane, ethane, propane, n-butane, n-heptane, toluene and n-decane). CPA can satisfactorily predict the water content in the gas phase of the multicomponent systems...

  20. Performance of Helical Coil Heat Recovery Exchanger using Nanofluid as Coolant

    Directory of Open Access Journals (Sweden)

    Navid Bozorgan

    2015-07-01

    Full Text Available Nanofluids are expected to be a promising coolant condidate in chemical processes for heat transfer system size reduction. This paper focuses on reducing the number of turns in a helical coil heat recovery exchanger with a given heat exchange capacity in a biomass heating plant using γ-Al2O3/n-decane nanofluid as coolant. The nanofluid flows through the tubes and the hot n-hexane flows through the shell. The numerical results show that using nanofluid as coolant in a helical coil heat exchanger can reduce the manufacturing cost of the heat exchanger and pumping power by reducing the number of turns of the coil.

  1. Identification of chemical compounds present in different fractions of Annona reticulata L. leaf by using GC-MS.

    Science.gov (United States)

    Rout, Soumya P; Kar, Durga M

    2014-01-01

    GC-MS analysis of fractions prepared from hydro-alcoholic extract of Annona reticulata Linn (Family Annonaceae) leaf revealed the presence of 9,10-dimethyltricyclo[4.2.1.1(2,5)]decane-9,10-diol; 4-(1,5-dihydroxy-2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one; 3,7-dimethyl-6-nonen-1-ol acetate; 9-octadecenamide,(Z)-; glycerine; D-glucose,6-O-α-D-galactopyranosyl-; desulphosinigrin and α-methyl-D-mannopyranoside as few of the major compounds in different fractions. The presence of these compounds in the plant has been identified for the first time.

  2. Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya "Rosea".

    Science.gov (United States)

    Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi

    2016-12-16

    Three rearranged labdane-type diterpenoids, hypophyllins A-C (1-3), and a caged labdane diterpenoid possessing a 8,9-dioxatricyclic[4.2.1.1 3,7 ]decane moiety, hypophyllin D (4), as well as two new biogenetically related diterpernoids, hypophyllins E (5) and F (6), were isolated from the aerial parts of Hypoestes phyllostachya "Rosea". The absolute configurations of 1-4 were determined by X-ray diffraction analysis. The plausible biogenetic pathway for 1-4 was also proposed. Compounds 4 and 5 showed potent vasorelaxant activity on endothelium-intact thoracic aorta rings precontracted with KCl.

  3. Photochemical oxidation of short-chain polychlorinated n-alkane mixtures using H2O2/UV and the photo-Fenton reaction

    OpenAIRE

    Ken J. Friesen; Taha M. El-Morsi; Alaa S. Abd-El-Aziz

    2004-01-01

    The photochemical oxidation of a series of short-chain polychlorinated n-alkane (PCA) mixtures was investigated using H2O2/UV and modified photo-Fenton conditions (Fe3+/H2O2/UV) in both Milli-Q and lake water. All PCA mixtures, including chlorinated (Cl5 to Cl8) decanes, undecanes, dodecanes and tridecanes degraded in 0.02 M H2O2/UV at pH 2.8 in pure water, with 80±4% disappearance after 3 h of irradiation using a 300 nm light source. Degradation was somewhat enhanced under similar conditions...

  4. Some mass spectral and analytical aspects of deuterium labeling of straight-chain olefins. [From shale oil distillates

    Energy Technology Data Exchange (ETDEWEB)

    Earnshaw, D.G.; Doolittle, F.G.; Decora, A.W.

    1971-01-01

    A calculation method has been developed to enhance the effect of deuterium labeling in the mass spectra of linear vicinal dideuterioalkanes (LVDA). Individual LVDA can be identified from these enhanced spectra. Single carbon-number mixtures of LVD nonanes and LVD decanes have been analyzed successfully using matrices derived from spectra of standards. In addition, enhanced mass spectra have been predicted for all of the LVD heptadecanes and LVD nonadecanes. Matrices have been constructed from the predicted spectra, and preliminary tests of these matrices have been conducted. All identifications and analytical results on the LVDA studied can be used to identify the precursor olefins.

  5. The use of AMPPD as an alternative substrate for AP-mediated detection of nonradiolabeled DNA probes in Eucalyptus saligna

    OpenAIRE

    De Moura Campos Pardini, M. I. [UNESP; Wolff, J. L C [UNESP; Lopes, C. R. [UNESP

    1993-01-01

    We present a non-radioactive alternative to Southern's (J. Mol. Biol. 98: 503-517, 1975) DNA-DNA hybridization technique. The use of AMPPD - Disodium 3-(4-Methoxyspiro {1,2-dioxetane-3,2'tricyclo[3.3.1.1(3,7)]decan}-4-yl)phyenyl phosphate as an alternative substrate for AP-mediated detection of digoxigenin-11 dUTP-labeled probes made possible the simple and nonhazardous reuse of blots. We used 0.8 % agarose gels containing 30 mug per lane of Eucalyptus saligna DNA, digested with Eco RI, elect...

  6. Neutron spin echo studies of the effects of temperature and pressure in a ternary microemulsion

    CERN Document Server

    Kawabata, Y; Seto, H; Takeda, T; Komura, S; Schwahn, D

    2002-01-01

    In order to clarify the self-assembling mechanisms in complex fluids involving amphiphiles, we have investigated dynamic features of amphiphilic membranes and droplets at high temperature and at high pressure in a ternary microemulsion, consisting of AOT, water, and n-decane. A high-pressure cell for neutron spin echo (NSE) experiments has been improved, and the static and dynamic features of droplets are observed in detail by means of small angle neutron scattering and NSE. It is found that the size fluctuation and the diffusion of droplets are enhanced by increasing temperature, while they are suppressed by increasing pressure. (orig.)

  7. The distribution of n-caprylic acid between organic solvents and aqueous sodium sulfate solution

    International Nuclear Information System (INIS)

    Gloe, K.; Muehl, P.; Kholkin, A.I.; Gindin, L.M.

    1981-01-01

    The distribution of 14 C-labelled n-caprylic acid between n-decane, benzene, isoamyl acetate, diisopropyl ketone, isoamyl alcohol and an aqueous 0.6 molar sodium sulfate solution was studied. The distribution constants and the dimerisation constants were determined for the reactions HRsub((w)) reversible HRsub((org)) and 2 HRsub((org)) reversible (HR)sub(2(org)), respectively. Both the effect of the solvent on the acid distribution and the importance of such studies for the interpretation of liquid-liquid extraction equilibria are discussed. (author)

  8. Decommissioning in British Nuclear Fuels plc

    International Nuclear Information System (INIS)

    Colquhoun, A.

    1988-01-01

    Decommissioning projects at the BNFL Sellafield site have been selected taking the following into account; the need to gain experience in preparation for the decommissioning of the Magnox reactors and for the post Magnox stage; the need to develop larger scale projects; the need to be cost effective and to foster long term safety. The balance between prompt or delayed decommissioning has to consider operator dose uptake and radioactive waste management. The ten year plan for decommissioning at Sellafield is described briefly. Currently decommissioning is of the fuel pond and decanning plant, the Windscale Pile Chimneys, the coprecipitation plant and the uranium recovery plant. (author)

  9. Study of wettability of calcite surfaces using oil-brine-enzyme systems for enhanced oil recovery applications

    DEFF Research Database (Denmark)

    Khusainova, Alsu; Nielsen, Sidsel Marie; Pedersen, Hanne Høst

    2015-01-01

    and adhesion behaviour tests. Comparative studies with a surfactant, protein, purified enzyme, enzyme stabiliser using n-decane (as a model for the oil) have also been carried out in order to verify experimental results. The enzymes that have the highest effect on the wettability have been identified. Those...... action has been found to be replacement of oil at the solid surface by the enzyme. Other mechanisms (modification of the surface tension or catalytic modification of hydrocarbons resulting in reducing the oil viscosity) have shown to be much less pronounced from the measurements reported here....

  10. Effect of support on hydro-metathesis of propene: A comparative study of W(CH 3 ) 6 anchored to silica vs. silica-alumina

    KAUST Repository

    Tretiakov, Mykyta

    2018-03-27

    Hydro-metathesis of propene was carried out by using well-defined W(CH3)6 supported on silica and silica-alumina. It was observed that W(CH3)6 supported silica-alumina catalyst is much better (TON 4577) than the silica supported catalyst (TON 2104). We demonstrated that the present catalysts are much better than the previously reported (tantalum hydride/KCC-1, TON 786) catalyst. For the first time, we observed the formation of n-decane from propene, which enables us to think of using cheaper raw materials and converting them to petroleum range alkanes using hydro-metathesis reaction.

  11. Wax Precipitation Modeled with Many Mixed Solid Phases

    DEFF Research Database (Denmark)

    Heidemann, Robert A.; Madsen, Jesper; Stenby, Erling Halfdan

    2005-01-01

    The behavior of the Coutinho UNIQUAC model for solid wax phases has been examined. The model can produce as many mixed solid phases as the number of waxy components. In binary mixtures, the solid rich in the lighter component contains little of the heavier component but the second phase shows sub......-temperature and low-temperature forms, are pure. Model calculations compare well with the data of Pauly et al. for C18 to C30 waxes precipitating from n-decane solutions. (C) 2004 American Institute of Chemical Engineers....

  12. Toxicokinetic Study for Investigation of Sex Differences in Internal Dosimetry of Jet Propulsion Fuel 8 (JP-8) in the Laboratory Rat

    Science.gov (United States)

    2013-07-26

    brain and observed cochlea concentrations of n-octane, n-decane, n-tetradecane, ethylbenzene , m-xylene and toluene in rats exposed to JP-8 (high...occur in combination with noise expo- sures (Department of the Army, 1998). The hydrocarbons ethylbenzene , toluene, and p-xylene, known to be present in...to supply JP-8 to the Cannon nose-only exposure system. Rats were exposed to JP-8 on a 52-position Cannon nose-only exposure system (Lab Products

  13. The Church of the Deans

    Directory of Open Access Journals (Sweden)

    Ezio Albrile

    2016-05-01

    Full Text Available The article investigates the ways through which peculiar representations of the late Ancient World passed to the Middle Ages. Among them, the astrological discipline is one of the favorite vehicles. The sculptures and other decorations of the Romanesque churches, have rewritten this archaic knowledge in the context of the Christian faith. Another constant presence in the imaginary of Western Christianity are the fabulous creatures related to what in astrology are the Decans. These odd Egyptian deities had at some time before the sixth century of our era made the long voyage to India and back they had travelled to Islamic lands, and so finally returned to Byzantium and the West.

  14. Components of the essential oil from Matteuccia struthiopteris.

    Science.gov (United States)

    Miyazawa, Mitsuo; Horiuchi, Eri; Kawata, Jyunichi

    2007-01-01

    A steam distilled oil obtained from Matteuccia struthiopteris was analyzed by GC and GC/MS. The oil was found to contain 103 volatile components, and (E)-phytol (24.8%), nonanal (15.1%) and decanal (7.6%) as the main compounds. The oil included two aldehydes known as sea-weed like odor, (8Z, 11Z, 14Z)-heptadecatrienal (0.6%) and (8Z, 11Z)-heptadecadienal (0.1%). The most characteristic aroma compound was (6Z)-nonenal.

  15. Armor: An αβγ assembly for irradiated fuel analysis

    International Nuclear Information System (INIS)

    Beraud, M.

    1967-04-01

    The assembly ARMOR which was built with a view to carrying out research on irradiated fuels consists of an αβγ enclosure made up of 11 cells in line. After a general description of the assembly in its present form, the various functions are reviewed: introduction of the samples, chemical de-canning, dissolution of the irradiated uranium pellets, preparation of solutions for mass spectrometric analyses, disposal of the effluents and of the solid waste. The assembly-has been working since 1961. During the 5 to 6 years operation, various improvements have been made and a certain number of observations have been collected concerning the work. (author) [fr

  16. First total synthesis of (-)-AL-2.

    Science.gov (United States)

    Miyakoshi, Naoki; Mukai, Chisato

    2003-06-26

    Treatment of the 3,4-dioxygenated-9-hydroxy-1-nonyn-5-one derivative, derived from diethyl l-tartrate, with a palladium catalyst in methanol under a CO atmosphere effected an intramolecular acetalization and a stereoselective construction of the (E)-methoxycarbonylmethylidene functionality resulting in formation of the core framework of the diacetylenic spiroacetal enol ether natural products. Chemical transformations of the 1,6-dioxaspiro[4.5]decane derivative thus formed led to the first total synthesis of (-)-AL-2. [reaction: see text

  17. Total syntheses of naturally occurring diacetylenic spiroacetal enol ethers.

    Science.gov (United States)

    Miyakoshi, Naoki; Aburano, Daisuke; Mukai, Chisato

    2005-07-22

    A highly stereoselective method for constructing a (2E)-methoxymethylidene-1,6-dioxaspiro[4.5]decane skeleton has been developed on the basis of the palladium(II)-catalyzed ring-closing reaction of the 3,4-dioxygenated-9-hydroxy-1-nonyn-5-one derivatives as a crucial step. The newly developed procedures could be successfully applied to the first total synthesis of five diacetylenic spiroacetal enol ether natural products starting from commercially available (R,R)- or (S,S)-diethyl tartrate.

  18. Army Research Office and Air Force Office of Scientific Research Contractors’ Meeting in Chemical Propulsion Held in Boulder, Colorado on June 11-13, 2007

    Science.gov (United States)

    2007-06-01

    Hanson, "Methyl Concentration Time Histories during iso -Octane and n-Heptane Oxidation," Proceedings of the Combustion Institute 31, 321-328, 2007. T...1000 -700 -400 -100 200 500 800 Temperature(K): 300 700 1100 1500 1900 2300 27000 . A l/ 0.1 0.60.0 OWN 00,o2 a3 0 0 . . . o’.4 0 0.1 02 o0. 0.4 x(m...reproduce extinction and autoignition characteristics of JP-8. A surrogate made up of n-decane (60 %) and iso -octane (40 %) by liquid volume best

  19. Process for the extraction of fission products

    International Nuclear Information System (INIS)

    Anav, M.; Chesne, A.; Leseur, A.; Miquel, P.; Pascard, R.

    1979-01-01

    A process is described for the extraction of fission products contained in irradiated nuclear fuel elements which have been subject to a temperature of at least 1200 0 C during their irradiation prior to dissolving the fuel by the wet process. After mechanically treating the elements in order to decan and/or cut them they are brought into contact with water in order to pass the fission products into aqueous solution. The treated elements are then separated from the thus obtained aqueous solution. At least one of the fission products is then recovered from the aqueous solution. The fission products are iodine, cesium, rubidium and tritium

  20. Multi-load Optimal Design of Burner-inner-liner Under Performance Index Constraint by Second-Order Polynomial Taylor Series Method

    Directory of Open Access Journals (Sweden)

    Tu Gaoqiao

    2016-01-01

    Full Text Available Using maximum expansion pressure of n-decane, the aeroengine burner-inner-liner combustion pressure load is computed. Aerodynamic loads are obtained from internal gas pressure load and gas momentum. Multi-load second-order Taylor series equations are established using multi-variant polynomials and their sensitivities. Optimal designs are carried out using various performance index constraints. When 0.25 to 0.8 rectifications of different design variants are implemented, they converge under 5×10‒4 d-norm difference ratio.

  1. Superior metallic alloys through rapid solidification processing (RSP) by design

    Energy Technology Data Exchange (ETDEWEB)

    Flinn, J.E. [Idaho National Engineering Laboratory, Idaho Falls, ID (United States)

    1995-05-01

    Rapid solidification processing using powder atomization methods and the control of minor elements such as oxygen, nitrogen, and carbon can provide metallic alloys with superior properties and performance compared to conventionally processing alloys. Previous studies on nickel- and iron-base superalloys have provided the baseline information to properly couple RSP with alloy composition, and, therefore, enable alloys to be designed for performance improvements. The RSP approach produces powders, which need to be consolidated into suitable monolithic forms. This normally involves canning, consolidation, and decanning of the powders. Canning/decanning is expensive and raises the fabrication cost significantly above that of conventional, ingot metallurgy production methods. The cost differential can be offset by the superior performance of the RSP metallic alloys. However, without the performance database, it is difficult to convince potential users to adopt the RSP approach. Spray casting of the atomized molten droplets into suitable preforms for subsequent fabrication can be cost competitive with conventional processing. If the fine and stable microstructural features observed for the RSP approach are preserved during spray casing, a cost competitive product can be obtained that has superior properties and performance that cannot be obtained by conventional methods.

  2. An improved molecular dynamics algorithm to study thermodiffusion in binary hydrocarbon mixtures

    Science.gov (United States)

    Antoun, Sylvie; Saghir, M. Ziad; Srinivasan, Seshasai

    2018-03-01

    In multicomponent liquid mixtures, the diffusion flow of chemical species can be induced by temperature gradients, which leads to a separation of the constituent components. This cross effect between temperature and concentration is known as thermodiffusion or the Ludwig-Soret effect. The performance of boundary driven non-equilibrium molecular dynamics along with the enhanced heat exchange (eHEX) algorithm was studied by assessing the thermodiffusion process in n-pentane/n-decane (nC5-nC10) binary mixtures. The eHEX algorithm consists of an extended version of the HEX algorithm with an improved energy conservation property. In addition to this, the transferable potentials for phase equilibria-united atom force field were employed in all molecular dynamics (MD) simulations to precisely model the molecular interactions in the fluid. The Soret coefficients of the n-pentane/n-decane (nC5-nC10) mixture for three different compositions (at 300.15 K and 0.1 MPa) were calculated and compared with the experimental data and other MD results available in the literature. Results of our newly employed MD algorithm showed great agreement with experimental data and a better accuracy compared to other MD procedures.

  3. An unprecedented amplification of near-infrared emission in a Bodipy derived π-system by stress or gelation.

    Science.gov (United States)

    Cherumukkil, Sandeep; Ghosh, Samrat; Praveen, Vakayil K; Ajayaghosh, Ayyappanpillai

    2017-08-01

    We report an unprecedented strategy to generate and amplify near-infrared (NIR) emission in an organic chromophore by mechanical stress or gelation pathways. A greenish-yellow emitting film of π-extended Bodipy-1 , obtained from n -decane, became orange-red upon mechanical shearing, with a 15-fold enhancement in NIR emission at 738 nm. Alternatively, a DMSO gel of Bodipy-1 exhibited a 7-fold enhancement in NIR emission at 748 nm with a change in emission color from yellow to orange-red upon drying. The reason for the amplified NIR emission in both cases is established from the difference in chromophore packing, by single crystal analysis of a model compound ( Bodipy-2 ), which also exhibited a near identical emission spectrum with red to NIR emission (742 nm). Comparison of the emission features and WAXS and FT-IR data of the sheared n -decane film and the DMSO xerogel with the single crystal data supports a head-to-tail slipped arrangement driven by the N-H···F-B bonding in the sheared or xerogel states, which facilitates strong exciton coupling and the resultant NIR emission.

  4. Liquid–liquid extraction of toluene from alkane with pyridinium based ionic liquid ([BPy][NO3] and [HPy][NO3]) at 298.15 K and atmospheric pressure

    International Nuclear Information System (INIS)

    Enayati, Mobin; Mokhtarani, Babak; Sharifi, Ali; Anvari, Sanam; Mirzaei, Mojtaba

    2016-01-01

    Highlights: • Extraction of toluene from alkane with pyridinium based ionic liquid was studied. • The ionic liquids [BPy][NO 3 ] and [HPy][NO 3 ] were used. • The effect of alkane chain length on selectivity of toluene was evaluated. • The effect of alkyl chain length of ionic liquids on toluene selectivity was investigated. • The experimental data were correlated with the NRTL model. - Abstract: The focus of this paper is to study the liquid−liquid extraction process for the separation of toluene from alkane employing the ionic liquids N-butylpyridinium nitrate, [BPy][NO 3 ], and N-hexylpyridinium nitrate, [HPy][NO 3 ], as a new solvents. New experimental data for the ternary systems of {[BPy][NO 3 ] (1) + heptane, or octane, or decane (2) + toluene (3)} and {[HPy][NO 3 ] (1) + heptane, or octane, or decane (2) + toluene (3)} at T = 298.15 K and atmospheric pressure are reported. The Othmer-Tobias and Hand correlation are examined to check the reliability of the experimental LLE data. The toluene distribution ratios and selectivity were calculated form the experimental data. The selectivity values are higher than unity which indicates the ILs, [BPy][NO 3 ] and [HPy][NO 3 ], used in this work are potential solvents to separate toluene from alkane. Besides, the effect of the alkane chain length in the selectivity values was evaluated. In addition, the result of the NRTL thermodynamic modeling shows, the experimental data were satisfactorily correlated.

  5. Excess molar volumes and dynamic viscosities for binary mixtures of toluene + n-alkanes (C5-C10) at T = 298.15 K - Comparison with Prigogine-Flory-Patterson theory

    International Nuclear Information System (INIS)

    Iloukhani, Hossein; Rezaei-Sameti, Mahdi; Basiri-Parsa, Jalal

    2006-01-01

    Densities ρ, dynamic viscosities η, for binary mixtures of toluene with some n-alkanes, namely, n-pentane, n-hexane, n-heptane, n-octane, n-nonane, and n-decane have been measured over the complete composition range. Excess molar volumes V E , viscosity deviations Δη, and excess Gibbs free energy of activation ΔG * E , were calculated there from and were correlated by Redlich-Kister type function in terms of mole fractions. For mixtures of toluene with n-pentane and n-hexane the V E is negative and for the remaining systems is positive. The Δη values are negative for all the studied mixtures. The ΔG * E values shows the positive values for the binary mixtures with n-decane, whereas the negative values have been observed for all the remaining binary mixtures. From the results, the excess thermal expansivities at constant pressure α E , is also estimated. The Prigogine-Flory-Patterson (PFP) theory and its applicability in predicting V E is tested. The results obtained for viscosity of binary mixtures were used to test the semi-empirical relations of Grunberg and Nissan, Tamura and Kurata, Hind et al., Katti and Chaudhri, McAllister, Heric, Kendall, and Monroe. The experimental on the constituted binaries are analyzed to discus the nature and strength of intermolecular interactions in these mixtures

  6. Photo-acoustic sensor for detection of oil contamination in compressed air systems.

    Science.gov (United States)

    Lassen, Mikael; Harder, David Baslev; Brusch, Anders; Nielsen, Ole Stender; Heikens, Dita; Persijn, Stefan; Petersen, Jan C

    2017-02-06

    We demonstrate an online (in-situ) sensor for continuous detection of oil contamination in compressed air systems complying with the ISO-8573 standard. The sensor is based on the photo-acoustic (PA) effect. The online and real-time PA sensor system has the potential to benefit a wide range of users that require high purity compressed air. Among these are hospitals, pharmaceutical industries, electronics manufacturers, and clean room facilities. The sensor was tested for sensitivity, repeatability, robustness to molecular cross-interference, and stability of calibration. Explicit measurements of hexane (C6H14) and decane (C10H22) vapors via excitation of molecular C-H vibrations at approx. 2950 cm-1 (3.38 μm) were conducted with a custom made interband cascade laser (ICL). For the decane measurements a (1 σ) standard deviation (STD) of 0.3 ppb was demonstrated, which corresponds to a normalized noise equivalent absorption (NNEA) coefficient for the prototype PA sensor of 2.8×10-9 W cm-1 Hz1/2.

  7. Biodegradation of diesel oil by yeasts isolated from the vicinity of suape port in the state of Pernambuco - Brazil

    Directory of Open Access Journals (Sweden)

    Rita de Cássia Miranda

    2007-01-01

    Full Text Available The aim of this work was to investigate the potential of the diesel oil degrading yeasts to use them in bioremediation of areas contaminated by this pollutant. The cultures, identified as Rhodotorula aurantiaca UFPEDA 845 and Candida ernobii UFPEDA 862, were selected at the initial stage. In the course of the biodegradation assays, C. ernobii degraded tetradecane, 5 methyl-octane and octadecane completely and decane (60.8% and nonane (21.4% partially whilst R. aurantiaca presented degradation percentages of 93% for decane, 38.4% for nonane and 22.9% for dodecane.O objetivo deste trabalho foi investigar a potencialidade de leveduras que degradam óleo Diesel, visando aplicação em processo de biorremediação de áreas impactadas pelo referido poluente. As culturas, identificadas como Rhodotorula aurantiaca UFPEDA 845 e Candida ernobii UFPEDA 862, foram as selecionadas na etapa inicial. Quanto aos ensaios de biodegradabilidade, a levedura Candida ernobii UFPEDA 862 degradou totalmente: tetradecano, 5 metil-octano e octadecano, e parcialmente decano (60,8% e nonano (21,4%, enquanto que a Rhodotorula aurantiaca UFPEDA 845 apresentou percentuais de degradação de 93,0% para decano, 38,4% para nonano e 22,9% para dodecano.

  8. DETERMINATION OF SOLID-LIQUID EQUILIBRIA DATA FOR MIXTURES OF HEAVY HYDROCARBONS IN A LIGHT SOLVENT

    Energy Technology Data Exchange (ETDEWEB)

    F.V. Hanson; J.V. Fletcher; Karthik R.

    2003-06-01

    A methodology was developed using an FT-IR spectroscopic technique to obtain solid-liquid equilibria (SLE) data for mixtures of heavy hydrocarbons in significantly lighter hydrocarbon diluents. SLE was examined in multiple Model Oils that were assembled to simulate waxes. The various Model oils were comprised of C-30 to C-44 hydrocarbons in decane. The FT-IR technique was used to identify the wax precipitation temperature (WPT). The DSC technique was also used in the identification of the onset of the two-phase equilibrium in this work. An additional Model oil made up of C-20 to C-30 hydrocarbons in decane was studied using the DSC experiment. The weight percent solid below the WPT was calculated using the FT-IR experimental results. The WPT and the weight percent solid below the WPT were predicted using an activity coefficient based thermodynamic model. The FT-IR spectroscopy method is found to successfully provide SLE data and also has several advantages over other laboratory-based methods.

  9. Response Mechanisms in Serratia marcescens IBBPo15 During Organic Solvents Exposure.

    Science.gov (United States)

    Stancu, Mihaela Marilena

    2016-12-01

    Serratia marcescens strain IBB Po15 (KT315653) which possesses serratiopeptidase (ser) gene (KT894207) exhibited good solvent tolerance. During the exposure of S. marcescens IBB Po15 cells to 5 % organic solvents, n-decane was less toxic for this bacterium, compared with n-hexane, cyclohexane, ethylbenzene, toluene, and styrene. The exposure of the S. marcescens IBB Po15 cells to n-hexane, cyclohexane, ethylbenzene, toluene, and styrene induced the formation of large clusters, while in control and n-decane-exposed cells, only organization into small clusters was observed. The data obtained suggested that S. marcescens IBB Po15 cells produced some secondary metabolites (i.e., surfactant serrawettin, red pigment prodigiosin) which are well known as valuable molecules due to their large applications. The exposure of the bacterial cells to organic solvents induced secondary metabolites profile modifications. However, S. marcescens IBB Po15 possesses only alkB1, todM, rhlAB, pswP, mpr, and ser genes, the unspecific amplification of other fragments being acquired also when the primers for alkM1, xylM, ndoM, and C23DO genes were used. Modifications of DNA patterns were not depicted in S. marcescens IBB Po15 cells exposed to organic solvents.

  10. Understanding the Hydro-metathesis Reaction of 1-decene by Using Well-defined Silica Supported W, Mo, Ta Carbene/Carbyne Complexes

    KAUST Repository

    Saidi, Aya

    2017-12-21

    Direct conversion of 1-decene to petroleum range alkanes was obtained using hydro-metathesis reaction. To understand this reaction we employed three different well-defined single site catalysts precursors; [(≡Si-O-)W(CH3)5] 1, [(≡Si-O-)Mo(≡CtBu)(CH2tBu)2] 2 and [(≡Si-O)Ta(=CHtBu)(CH2tBu)2] 3. We witnessed that in our conditions olefin metathesis/isomerization of 1-decene occurs much faster followed by reduction of the newly formed olefins rather than reduction of the 1-decene to decane, followed by metathesis of decane. We found that Mo-based catalyst favors 2+2 cycloaddition of 1-decene forming metallocarbene, followed by reduction of the newly formed olefins to alkanes. However, in the case of W and Ta-based catalysts, a rapid isomerization (migration) of the double bond followed by olefin metathesis and reduction of the newly formed olefins were observed. We witnessed that silica supported W catalyst precursor 1 and Mo catalyst precursor 2 are better catalysts for hydro-metathesis reaction with TONs of 818 and 808 than Ta-based catalyst 3 (TON of 334). This comparison of the catalysts provides us a better understanding that, if a catalyst is efficient in olefin metathesis reaction it would be a better catalyst for hydro-metathesis reaction.

  11. PECULIARITIES OF WATER FREEZING IN CRYOPROTECTIVE MEDIUM IMPLEMENTED IN A MATRIX OF HYDROPHOBIC SILICA BULL SPERM

    Directory of Open Access Journals (Sweden)

    V. V. Turov

    2014-06-01

    Full Text Available The study of the process of melting water in lactose-glycerol-yolk kriomedium containing gametes bull, incorporated in the hydrophobic silica powder, which are adsorbed on the surface of fixed amounts of nonpolar hydrocarbon – n-decane was the aim of the work. The possibility of water polyassociates structuring with a solid surface of interfacial water and solubility of trifluoroethanoic acid in it have been studied. Thereat survival of the germ cell after contact with the surface was not analyzed. State of water in initial cryoprotective glycerol-lactose-yolk medium and hydrophobic nanosilica TS-100 containing n-decane additive adsorbed on its surface incorporated in a matrix was studied using low-temperature 1H-NMR spectroscopy method. It is shown that the solid matrix induces formation of 6–7 water molecules per each dean molecule at the interface, which do not take part in formation of hydrogen bonds, and a sharp radius decrease (from 100 to 20 nm of ice crystals formed in cell suspension at its freezing. The results could give rise to safety improving of their cells at their cryopreservation and low temperature storage conditions by incorporating into a powder composite environment.

  12. Essential oil constituents of the aerial parts and root of Cymbocarpum anethoides (Apiaceae) from Iran.

    Science.gov (United States)

    Nasiri, N; Shamkhani, H; Ghelichpour, Z; Mohammadi, M A; Sonboli, A

    2017-04-01

    The essential oils obtained by hydrodistillation from aerial parts at different growing stages and root of Cymbocarpum anethoides DC., from Iran were investigated. The oils were analysed by GC-FID and GC-MS. Forty-five, 52, 40 and 36 components were identified in the essential oils of aerial parts (vegetative, flowering and fruit) and root representing of the 99.2, 99.0, 99.8 and 99.6% of the total oils, respectively. The essential oil of the aerial parts of the plant in vegetative stage was dominated by n-decanal (36.5%) and n-dodecanal (25.3%). n-Decanal (35.8%) and 2E-decenal (25.1%) were the main constituents of the plant oil in flowering stage whereas 2E-decenal (32.1%) and 2E-dodecenal (21.5%) were characterised as the main components of the plant oil in fruit stage. In the essential oil of root, the major identified components were 2-dodecenoic acid (29.8%) and 2E-Dodecenol (12.7%).

  13. A Comparison of the Volatile Components of Cold Pressed Hamlin and Valencia (Citrus sinensis (L. Osbeck Orange Oils Affected by Huanglongbing

    Directory of Open Access Journals (Sweden)

    Brittany M. Xu

    2017-01-01

    Full Text Available Volatiles from huanglongbing (HLB symptomatic and asymptomatic cold pressed orange oils from Florida Hamlin and Valencia fruit were assessed. Qualitative gas-liquid chromatography studies showed the presence of several compounds (β-longifolene, perillene, and 4-decenal which are not commonly identified in Citrus sinensis (L. Osbeck oils. Oils derived from huanglongbing symptomatic fruit had lower concentrations of linalool, decanal, citronellol, neral, geranial, carvone, dodecanal, and 2-decenal and higher concentrations of citronellal compared to asymptomatic fruit. A comparison to historic literature of orange oil investigations before HLB was of issue in Florida orange crops showed lower levels of linalool, decanal, neral, and geranial in Hamlin peel oil samples, as well as higher levels of dodecanal. Valencia peel oil samples showed lower concentrations of linalool and increased concentration of citronellol and dodecanal. As a result of huanglongbing (HLB phenomena, the concentrations of several important volatiles found in Hamlin and Valencia peel oil profiles have changed compared to historic values. Differences in volatile concentrations of symptomatic and asymptomatic HLB affected peel oil compounds in orange fruit are identified.

  14. Ozone-initiated chemistry in an occupied simulated aircraft cabin.

    Science.gov (United States)

    Weschler, Charles J; Wisthaler, Armin; Cowlin, Shannon; Tamás, Gyöngyi; Strøm-Tejsen, Peter; Hodgson, Alfred T; Destaillats, Hugo; Herrington, Jason; Zhang, Junfeng; Nazaroff, William W

    2007-09-01

    We have used multiple analytical methods to characterize the gas-phase products formed when ozone was added to cabin air during simulated 4-hour flights that were conducted in a reconstructed section of a B-767 aircraft containing human occupants. Two separate groups of 16 females were each exposed to four conditions: low air exchange (4.4 (h-1)), exchange, 61-64 ppb ozone; high air exchange (8.8 h(-1)), exchange, 73-77 ppb ozone. The addition of ozone to the cabin air increased the levels of identified byproducts from approximately 70 to 130 ppb at the lower air exchange rate and from approximately 30 to 70 ppb at the higher air exchange rate. Most of the increase was attributable to acetone, nonanal, decanal, 4-oxopentanal (4-OPA), 6-methyl-5-hepten-2-one (6-MHO), formic acid, and acetic acid, with 0.25-0.30 mol of quantified product volatilized per mol of ozone consumed. Several of these compounds reached levels above their reported odor thresholds. Most byproducts were derived from surface reactions with occupants and their clothing, consistent with the inference that occupants were responsible for the removal of >55% of the ozone in the cabin. The observations made in this study have implications for other indoor settings. Whenever human beings and ozone are simultaneously present, one anticipates production of acetone, nonanal, decanal, 6-MHO, geranyl acetone, and 4-OPA.

  15. Phase equilibria of didecyldimethylammonium nitrate ionic liquid with water and organic solvents

    International Nuclear Information System (INIS)

    Domanska, Urszula; Lugowska, Katarzyna; Pernak, Juliusz

    2007-01-01

    The phase diagrams for binary mixtures of an ammonium ionic liquid, didecyldimethylammonium nitrate, [DDA][NO 3 ], with: alcohols (propan-1-ol, butan-1-ol, octan-1-ol, and decan-1-ol): hydrocarbons (toluene, propylbenzene, hexane, and hexadecane) and with water were determined in our laboratory. The phase equilibria were measured by a dynamic method from T 220 K to either the melting point of the ionic liquid, or to the boiling point of the solvent. A simple liquidus curve in a eutectic system was observed for [DDA][NO 3 ] with: alcohols (propan-1-ol, butan-1-ol, and octan-1-ol); aromatic hydrocarbons (toluene and propylbenzene) and with water. (Solid + liquid) equilibria with immiscibility in the liquid phase were detected with the aliphatic hydrocarbons heptane and hexadecane and with decan-1-ol. (Liquid + liquid) equilibria for the system [DDA][NO 3 ] with hexadecane was observed for the whole mole fraction range of the ionic liquid. The observation of the upper critical solution temperature in binary mixtures of ([DDA][NO 3 ] + decan-1-ol, heptane, or hexadecane) was limited by the boiling temperature of the solvent. Characterisation and purity of the compounds were determined by elemental analysis, water content (Fisher method) and differential scanning microcalorimetry (d.s.c.) analysis. The d.s.c. method of analysis was used to determine melting temperatures and enthalpies of fusion. The thermal stability of the ionic liquid was resolved by the thermogravimetric technique-differential thermal analysis (TG-DTA) technique over a wide temperature range from (200 to 780) K. The thermal decomposition temperature of 50% of the sample was greater than 500 K. The (solid + liquid) phase equilibria, curves were correlated by means of different G Ex models utilizing parameters derived from the (solid + liquid) equilibrium. The root-mean-square deviations of the solubility temperatures for all calculated data are dependent upon the particular system and the particular

  16. Capillary filling rules and displacement mechanisms for spontaneous imbibition of CO2 for carbon storage and EOR using micro-model experiments and pore scale simulation

    Science.gov (United States)

    Chapman, E.; Yang, J.; Crawshaw, J.; Boek, E. S.

    2012-04-01

    In the 1980s, Lenormand et al. carried out their pioneering work on displacement mechanisms of fluids in etched networks [1]. Here we further examine displacement mechanisms in relation to capillary filling rules for spontaneous imbibition. Understanding the role of spontaneous imbibition in fluid displacement is essential for refining pore network models. Generally, pore network models use simple capillary filling rules and here we examine the validity of these rules for spontaneous imbibition. Improvement of pore network models is vital for the process of 'up-scaling' to the field scale for both enhanced oil recovery (EOR) and carbon sequestration. In this work, we present our experimental microfluidic research into the displacement of both supercritical CO2/deionised water (DI) systems and analogous n-decane/air - where supercritical CO2 and n-decane are the respective wetting fluids - controlled by imbibition at the pore scale. We conducted our experiments in etched PMMA and silicon/glass micro-fluidic hydrophobic chips. We first investigate displacement in single etched pore junctions, followed by displacement in complex network designs representing actual rock thin sections, i.e. Berea sandstone and Sucrosic dolomite. The n-decane/air experiments were conducted under ambient conditions, whereas the supercritical CO2/DI water experiments were conducted under high temperature and pressure in order to replicate reservoir conditions. Fluid displacement in all experiments was captured via a high speed video microscope. The direction and type of displacement the imbibing fluid takes when it enters a junction is dependent on the number of possible channels in which the wetting fluid can imbibe, i.e. I1, I2 and I3 [1]. Depending on the experiment conducted, the micro-models were initially filled with either DI water or air before the wetting fluid was injected. We found that the imbibition of the wetting fluid through a single pore is primarily controlled by the

  17. Hydro-Metathesis of Long-Chain Olefin (1-decene) using Well-Defined Silica-Supported Tungsten (VI), Molybdenum (VI) and Tantalum (V) Catalysts

    KAUST Repository

    Saidi, Aya

    2016-11-01

    Nowadays, catalysis lies at the heart of economy growth mainly in the petroleum industry. Catalysis can offer real and potential solutions to the current challenges for a long-term sustainable energy, green chemistry, and environmental protection. In this context, one of the most important and future prosperity promising catalytic applications in the petrochemical field is hydrocarbons metathesis; it consists on the conversion of both renewable and non-petroleum fossil carbon sources to transportation fuels. Olefin metathesis has become one of the standard methodologies for constructing C-C bonds in many organic transformation reactions. This owed to the numerous types of metathesis reactions that have been developed, for example, enyne, ring-opening and closing, self and cross metathesis, etc. But the one step conversion of olefin to alkanes has not been studied much. Recently, only one such a work has been published for the hydro-metathesis of propylene by tantalum hydride supported on KCC-1 in dynamic reactor. With this knowledge, we thought to study the hydro-metathesis using liquid olefin (1-decene). Another aspect of using 1-decene comes from our previous experience on metathesis of n-decane where the first step is the conversion of decane to 1-decene and subsequently to different chain length alkanes with W-alkyl/alkylidene catalyst. In this way, it would be easy for us to use different catalysts and compare them with parent catalyst concerning TON. We found 100% conversion with TON of 1010 using supported WMe6 onto SiO2-700 [(≡Si-O-)WMe5] against the previous results for n-decane showing 20% conversion and TON of 153. In this work, we disclose the hydro-metathesis reaction of 1-decene using well-defined silica supported W(VI), Mo(VI) and Ta(V) alkyl catalysts in batch reactor condition. This work is divided into three major sections; first chapter contains an introduction to the field of catalysis and surface organometallic chemistry. In second chapter

  18. Comparison of residual NAPL source removal techniques in 3D metric scale experiments

    Science.gov (United States)

    Atteia, O.; Jousse, F.; Cohen, G.; Höhener, P.

    2017-07-01

    This study compared four treatment techniques for the removal of a toluene/n-decane as NAPL (Non Aqueous Phase Liquid) phase mixture in identical 1 cubic meter tanks filled with different kind of sand. These four treatment techniques were: oxidation with persulfate, surfactant washing with Tween80®, sparging with air followed by ozone, and thermal treatment at 80 °C. The sources were made with three lenses of 26 × 26 × 6.5 cm, one having a hydraulic conductivity similar to the whole tank and the two others a value 10 times smaller. The four techniques were studied after conditioning the tanks with tap water during approximately 80 days. The persulfate treatment tests showed average removal of the contaminants but significant flux decrease if density effects are considered. Surfactant flushing did not show a highly significant increase of the flux of toluene but allowed an increased removal rate that could lead to an almost complete removal with longer treatment time. Sparging removed a significant amount but suggests that air was passing through localized gas channels and that the removal was stagnating after removing half of the contamination. Thermal treatment reached 100% removal after the target temperature of 80 °C was kept during more than 10 d. The experiments emphasized the generation of a high-spatial heterogeneity in NAPL content. For all the treatments the overall removal was similar for both n-decane and toluene, suggesting that toluene was removed rapidly and n-decane more slowly in some zones, while no removal existed in other zones. The oxidation and surfactant results were also analyzed for the relation between contaminant fluxes at the outlet and mass removal. For the first time, this approach clearly allowed the differentiation of the treatments. As a conclusion, experiments showed that the most important differences between the tested treatment techniques were not the global mass removal rates but the time required to reach 99% decrease in

  19. Extraction of rare earth elements with organophosphorus extractants as carriers in supported liquid membranes

    International Nuclear Information System (INIS)

    Kopunec, R.; Benitez, J.C.

    1991-01-01

    The membrane extraction of Y, Ce, Eu, Tm and their binary mixtures Ce-Y, Ce-Eu, Ce-Tm with supported liquid membranes containing TBP and HDEHP as carriers in decane-dodecane hydrocarbon solvent, has been studied. Upon extraction with TBP aqueous nitrate solutions of rare earth elements (REE) were used as feed phase. In some cases they also contained EDTA or DCTA. In most cases, the receiving phase was an aqueous solution of EDTA. Extraction with HDEHP was performed from nitrate and chloride solutions and the receiving phase was the corresponding dilute acid. Pertraction of an element through a membrane was studied as a function of time and of initial composition of phases. The results are presented in the following forms: flux of metal through membrane, coefficients of permeability, separation factors and effective diffusion coefficients. (author) 24 refs.; 8 figs.; 3 tabs

  20. Resolution of 1-n-butyl-3-methyl-3-phospholene 1-oxide with TADDOL derivatives and calcium salts of O,O'-Dibenzoyl-(2R,3R)- or O,O'-di-p-toluoyl-(2R,3R)-tartaric acid.

    Science.gov (United States)

    Bagi, Péter; Fekete, András; Kállay, Mihály; Hessz, Dóra; Kubinyi, Miklós; Holczbauer, Tamás; Czugler, Mátyás; Fogassy, Elemér; Keglevich, György

    2014-03-01

    The resolution methods applying (-)-(4R,5R)-4,5-bis(diphenylhydroxymethyl)-2,2-dimethyldioxolane ("TADDOL"), (-)-(2R,3R)-α,α,α',α'-tetraphenyl-1,4-dioxaspiro[4.5]decan-2,3-dimethanol ("spiro-TADDOL"), as well as the acidic and neutral Ca(2+) salts of (-)-O,O'-dibenzoyl- and (-)-O,O'-di-p-toluoyl-(2R,3R)-tartaric acid were extended for the preparation of 1-n-butyl-3-methyl-3-phospholene 1-oxide in optically active form. In one case, the intermediate diastereomeric complex could be identified by single-crystal X-ray analysis. The absolute P-configuration of the enantiomers of the phospholene oxide was also determined by comparing the experimentally obtained and calculated CD spectra. © 2014 Wiley Periodicals, Inc.

  1. Dynamic viscosities of 2-butanol with alkanes (C{sub 8}, C{sub 10}, and C{sub 12}) at several temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, B.; Dominguez, A.; Tojo, J. E-mail: jtojo@uvigo.es

    2004-04-01

    The dynamic viscosities, densities, and speed of sound for the binary mixtures (2-butanol with octane, or decane, or dodecane) at several temperatures T=(293.15, 298.15, 303.15) K have been measured over the whole composition range and atmospheric pressure along with the properties of the pure components. Excess molar volumes, isentropic compressibility, deviations in isentropic compressibility, and viscosity deviation for the binary systems at the above-mentioned temperatures were calculated and fitted to Redlich-Kister equation to determine the fitting parameters and the root-mean-square deviations. UNIQUAC equation were used to correlate the experimental viscosity data. UNIFAC-VISCO method and ASOG-VISCO method, based on contribution groups, were used to predict the dynamic viscosities of the binary mixtures.

  2. Synthesis and toxicity test of magnetic nanoparticle via biocompatible microemulsion system as template for application in targeted drug delivery

    Science.gov (United States)

    Kader, Razinah Abdul; Rose, Laili Che; Suhaimi, Hamdan; Manickam, Mariessa Soosai

    2017-09-01

    This work reports the preparation of magnetic nanoparticles (FeNPs) using biocompatible W/O microemulsion for biomedical applications. W/O microemulsion was formed using decane as oil phase, water, tween 80 as non-ionic surfactant and hexanol as organic solvent. The synthesized FeNPs were characterised by using Fourier Transform Infrared Resonance Spectroscopy (FTIR), Scanning Electron Microscopy (SEM) and X-Ray Diffraction (XRD). The FTIR showed that Fe-O bond exist on 581cm-1 having strong magnetic strength whereas SEM showed the morphology surface of magnetic nanoparticles (FeNPs). Furthermore, analysis of XRD pattern magnetic nanoparticles (FeNPs) reveals a cubic iron oxide phase with good crystallize structure. Furthermore, toxicity test on human liver cells proved that it is 70% safe on human and proved to be a safety nanomedicine.

  3. Polymer boosting effect in the droplet phase studied by small-angle neutron scattering

    CERN Document Server

    Frielinghaus, H; Allgaier, J; Richter, D; Jakobs, B; Sottmann, T; Strey, R

    2002-01-01

    Small-angle neutron-scattering experiments were performed in order to obtain the six partial scattering functions of a droplet microemulsion containing water, decane, C sub 1 sub 0 E sub 4 surfactant and PEP sub 5 -PEO sub 8 sub 0. We systematically varied the contrast around the polymer contrast, where only the polymer becomes visible, and we also measured bulk and film contrasts. With the singular value decomposition method we could extract the desired six partial scattering functions from the 15 measured spectra. We find a sphere-shell-shell structure of the droplets, where the innermost sphere consists of oil, the middle shell of surfactant and the outer shell is a depletion zone where the polymer is almost not present. (orig.)

  4. Emission factors from road traffic from a tunnel study (Gubrist tunnel, Switzerland). Part 1 Concept and first results

    Energy Technology Data Exchange (ETDEWEB)

    Staehelin, Johannes; Brunner, Dominik; Baumle, Martin [Atmospheric Science, ETH-Hoenggerberg, Zuerich (Switzerland); Schlapfer, Kurt [Carbotech AG, Basel (Switzerland); Burgin, Toni; Meier, Markus [Amt fuer Technische Anlagen und Lufthygiene Kanton Zuerich ATAL, Zuerich (Switzerland); Steinemann, Urs [Ingenieurbuero Steinemann, Wollerau (Switzerland); Schneider, Stefan; Zahner, Christoph; Keiser, Stephan [Planungsbuero Jud AG, Zuerich (Switzerland); Stahel, Werner; Keller, Christian [Sem. for Statistics, ETH-Z, Zuerich (Switzerland)

    1995-06-22

    In the industrialized world a large part of the emission of the primary air pollutants (NO{sub x}, volatile organic compounds (VOC) and CO) originates from road traffic. Here we present the concept and first results of a tunnel study which took place from September 20th to September 26th, 1993, at the Gubrist tunnel (close to Zuerich, Switzerland) in which the emission factors of a large number of individual VOCs, total hydrocarbons (t-HC), CO, NO{sub x} and SO{sub 2} are determined. The first tentative results of the emission factors of NO{sub x}, CO, t-HC and 26 individual hydrocarbons (alkanes and aromatics in the volatility range from n-heptane to n-decane) for the average of all vehicles and the light duty vehicles at an average speed of 90 km/h are given

  5. The calculation of the viscosity from the autocorrelation function using molecular and atomic stress tensors

    Science.gov (United States)

    Cui, S. T.

    The stress-stress correlation function and the viscosity of a united-atom model of liquid decane are studied by equilibrium molecular dynamics simulation using two different formalisms for the stress tensor: the atomic and the molecular formalisms. The atomic and molecular correlation functions show dramatic difference in short-time behaviour. The integrals of the two correlation functions, however, become identical after a short transient period whichis significantly shorter than the rotational relaxation time of the molecule. Both reach the same plateau value in a time period corresponding to this relaxation time. These results provide a convenient guide for the choice of the upper integral time limit in calculating the viscosity by the Green-Kubo formula.

  6. NON-EQUILIBRIUM MOLECULAR DYNAMICS USED TO OBTAIN SORET COEFFICIENTS OF BINARY HYDROCARBON MIXTURES

    Directory of Open Access Journals (Sweden)

    F. A. Furtado

    2015-09-01

    Full Text Available AbstractThe Boundary Driven Non-Equilibrium Molecular Dynamics (BD-NEMD method is employed to evaluate Soret coefficients of binary mixtures. Using a n-decane/n-pentane mixture at 298 K, we study several parameters and conditions of the simulation procedure such as system size, time step size, frequency of perturbation, and the undesired warming up of the system during the simulation. The Soret coefficients obtained here deviated around 20% when comparing with experimental data and with simulated results from the literature. We showed that fluctuations in composition gradients and the consequent deviations of the Soret coefficient may be due to characteristic fluctuations of the composition gradient. Best results were obtained with the smallest time steps and without using a thermostat, which shows that there is room for improvement and/or development of new BD-NEMD algorithms.

  7. Viscosity and Liquid Density of Asymmetric n-Alkane Mixtures: Measurement and Modelling

    DEFF Research Database (Denmark)

    Queimada, António J.; Marrucho, Isabel M.; Coutinho, João A.P.

    2005-01-01

    Viscosity and liquid density Measurements were performed, at atmospheric pressure. in pure and mixed n-decane. n-eicosane, n-docosane, and n-tetracosane from 293.15 K (or above the melting point) up to 343.15 K. The viscosity was determined with a rolling ball viscometer and liquid densities...... with a vibrating U-tube densimeter. Pure component results agreed, oil average, with literature values within 0.2% for liquid density and 3% for viscosity. The measured data were used to evaluate the performance of two models for their predictions: the friction theory coupled with the Peng-Robinson equation...... of state and a corresponding states model recently proposed for surface tension, viscosity, vapor pressure, and liquid densities of the series of n-alkanes. Advantages and shortcoming of these models are discussed....

  8. Sensory evaluation and chemical analysis of exhaled and dermally emitted bioeffluents

    DEFF Research Database (Denmark)

    Tsushima, S.; Wargocki, Pawel; Tanabe, S.

    2018-01-01

    Conditions in which exhaled and dermally emitted bioeffluents could be sampled separately or together (whole-body emission) were created. Five lightly dressed males exhaled the air through a mask to another, identical chamber or without a mask to the chamber in which they were sitting; the outdoor......) was less acceptable, and the odor intensity was higher than when only exhaled bioeffluents were present. The presence or absence of exhaled bioeffluents in the unoccupied chamber made no significant difference to sensory assessments. At 28°C and with ozone present, the odor intensity increased and the PAQ...... was less acceptable in the chambers with whole-body bioeffluents. The concentrations of nonanal, decanal, geranylacetone, and 6-MHO were higher when dermally emitted bioeffluents were present; they increased further when ozone was present. The concentration of squalene then decreased and increased again...

  9. The application of density functional theory to the analysis of small-angle neutron scattering of concentrated microemulsion with nonionic surfactant

    International Nuclear Information System (INIS)

    Korneta, W.; Lopez Quintela, M.A.; Liz, L.

    1993-09-01

    The experimental results obtained by the static small-angle neutron scattering technique for the microemulsion consisting of 40% in volume of nonionic surfactant pentaethylene-glycol-4-octylphenylether, equal volumes of heavy water and decane, and additives (the salt KCl, the anionic surfactant SDS and butanol) are presented and discussed. The universal features of obtained scattering intensity plots are determined. The shape of the peak present in all scattering spectra was fitted by the universal function derived from the density functional theory. The persistence length of surfactant sheet used in many density functional theories of microemulsions is determined and the effect of different additives on this length is shown. (author). 10 refs, 2 figs

  10. Dechlorination of short chain chlorinated paraffins by nanoscale zero-valent iron.

    Science.gov (United States)

    Zhang, Zhi-Yong; Lu, Mang; Zhang, Zhong-Zhi; Xiao, Meng; Zhang, Min

    2012-12-01

    In this study, nanoscale zero-valent iron (NZVI) particles were synthesized and used for the reductive dehalogenation of short chain chlorinated paraffins (SCCPs) in the laboratory. The results show that the dechlorination rate of chlorinated n-decane (CP(10)) by NZVI increased with decreased solution pH. Increasing the loading of NZVI enhanced the dechlorination rate of CP(10). With an increase in temperature, the degradation rate increased. The reduction of CP(10) by NZVI was accelerated with increasing the concentration of humic acid up to 15 mg/L but then was inhibited. The dechlorination of CP(10) within the initial 18 h followed pseudo-first order rate model. The formation of intermediate products indicates a stepwise dechlorination pathway of SCCPs by NZVI. The carbon chain length and chlorination degree of SCCPs have a polynominal impact on dechlorination reactions. Copyright © 2012 Elsevier B.V. All rights reserved.

  11. Experimental and numerical investigation of kerosene flammability

    Energy Technology Data Exchange (ETDEWEB)

    Sochet, I. [Orleans Univ., ENSIB, Lab. Energetique Explosions Structures, 18 - Bourges (France); Pascaud, J.M.; Gillard, P. [Orleans Univ., IUTde Bourges, Lab. Energetique Explosions Structures, 18 - Bourges (France)

    2002-08-01

    In an attempt to contribute to aircraft safety, it is fundamental to define the explosions conditions of kerosene vapor in an aircraft tank. Flammability properties of kerosene F-34 and F-35 have been determined experimentally. The flash point and the vapor pressure have been measured by means of an appropriate apparatus. A first analysis of the composition by GC-MS analysis shows four essential compounds: decane, dodecane, 1,2,4 trimethylbenzene and butyl-cyclohexane. The evolution of maximum pressure is compared with the theoretical values obtained with a simple model based on the theory of molecule collisions. A simple modelling has been developed as part of a novel study on ignition and combustion of classical propulsive powders and transposed to liquid kerosene droplets in order to predict the main characteristics of these explosions in a closed vessel. (authors)

  12. The effects of normal paraffins mobilizers on irradiated polypropylene

    International Nuclear Information System (INIS)

    Chen Wenxiu; Gao Ling

    1995-01-01

    The n-paraffins blended with polypropylene (PP) as mobilizer had been investigated. The effectiveness of mobilizer (n-paraffins) on irradiated polypropylene is dependent on the molecular weight of mobilizer and its content on polypropylene. The n-docosame (n-C 22 ) possesses the best effectiveness of radiation tolerance on PP among the mobilizer paraffins: n-decane (n-C 10 ), n-hexadecane (n-C 16 ), n-docosane (n-C 22 ) and n-hexatriacontane (n-C 36 ). The 2% (w/w) content of a given mobilizer is the most effective at reducing the embrittlement of irradiated PP as evidenced by the elongation at break. The physical properties of polypropylene with mobilizers such as density, Young's modulus, the Fraction of free volume and the weight swelling ratio in p-xylene at room temperature were measured. Above phenomena are related with the constructive of blended PP and demonstrated by its physical properties

  13. Ambiental volatile organic compounds in the megacity of São Paulo

    Directory of Open Access Journals (Sweden)

    Leila Droprinchinski Martins

    2008-01-01

    Full Text Available In order to characterize the composition of the main urban air organic compounds in the megacity of Sao Paulo, analysis of samples collected during the winter of 2003 downtown was carried out. The samplings were performed on the roof of a building in the commercial center of São Paulo. Hydrocarbons and carbonyls compounds were collected on August 4, 5 and 6. Comparing to previous data, the concentration of hydrocarbons presented no decrease in the concentration, except for the aldehydes, which decreased when compared to previous data. Among the HCs species analyzed, the highest concentrations observed were those of toluene (7.5 ± 3.4 ppbv, n-decane (3.2 ± 2.0 ppbv, benzene (2.7 ± 1.4 ppbv and 1,3,5-trimethylbenzene (2.2 ± 1.5 ppbv.

  14. Chemical composition and antibacterial activity of the essential oil the leaf of Nepeta persica

    Directory of Open Access Journals (Sweden)

    Soraya AKHSHI

    2014-11-01

    Full Text Available The essential oil from the leaf of Nepeta persica Boiss, analyzed by gas chromatography (GC and gas chromatography (GC/mass spectrometry (MS, were shown to contain 4aα, 7α, 7aβ-nepetalactone (49.46% and 4aα, 7α, 7aα-nepetalactone (14.18%. The other main constituents were n-octane (13.10%, n-decane (3.67% and germacrene-D (2.04%. Antibacterial activities of the leaf oil were evaluated using the micro-dilution broth method. Inhibitory effects on Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Salmonella typhi and Enterococcus faecalis were recorded. The leaf oil has difference activities against the test microorganisms. The antibacterial property of the essential oil might be ascribed to their high content of nepetalactone isomers.

  15. Chain length dependence of the critical density of organic homologous series

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios M.; Fredenslund, Aage; Tassios, Dimitrios P.

    1995-01-01

    Whether the critical density of organic compounds belonging to a certain homologous series increases or decreases with (increasing) molecular weight has been a challenging question over the years. Two sets of experimental data have recently appeared in the literature for the critical density of n......-alkanes: Steele's data (up to n-decane) suggest that critical density increases with carbon number and reaches a limiting value. On the other hand, the data of Teja et al., 1990 which cover a broader range of n-alkanes (up to n-octadecane), reveal a decreasing trend of the critical density after a maximum at n......-heptane. Teja et al. have also presented critical density measurements for 1-alkenes (up to 1-decene) and 1-alkanols (up to 1-undecanol). These data follow the same decreasing trend with the molecular weight as n-alkanes. This trend is not in agreement with the predictions of most group-contribution methods...

  16. Total internal reflection second-harmonic generation: probing the alkane water interface

    International Nuclear Information System (INIS)

    Conboy, J.C.; Daschbach, J.L.; Richmond, G.L.

    1994-01-01

    Total internal reflection Second-Harmonic Generation (SHG) has been used to study a series of neat n-alkane/water interfaces. Polarization and incident angular-dependent measurements of the SH response show good agreement with theoretical predictions. Analysis of the incident and polarization angular-dependent SH response allows for determination of the nonlinear optical properties of molecules comprising the interfacial region. Based on Kleinman symmetry, the measured surface nonlinear susceptibilities suggest a high degree of interfacial order for octane and decane with less order indicated by the odd carbon n-alkanes examined, heptane and nonane. The SH response in reflection and transmission has been measured under a Total Internal Reflection (TIR) of the fundamental. The measured nonlinear susceptibilities in each case are found to be identical. (orig.)

  17. Catalytic ring opening of decalin. Biofunctional versus hydrogenolytic pathways

    Energy Technology Data Exchange (ETDEWEB)

    Weitkamp, J.; Rabl, S.; Haas, A.; Santi, D. [Stuttgart Univ. (Germany). Inst. of Chemical Technology; Ferrari, M.; Calemma, V. [Eni R and M Div., San Donato Milanese (Italy)

    2010-12-30

    Ir/silica, Pt/La-X and Rh/H-Beta were prepared and tested in the hydroconversion of cisdecalin at different temperatures. The catalytic tests were carried out under hydrogen in a high-pressure flow-type apparatus at 5.2 MPa. On the three catalysts open-chain decane yields up to 20 % were achieved, which is much higher than the yields reported so far in the literature. Pt/La-X and Rh/H-Beta behave as bifunctional catalysts with a high tendency for skeletal isomerization. On these catalysts the so-called paring reaction via carbenium ions occurs, leading to iso-butane and methylcyclopentane as main hydrocracked products. On Ir/SiO{sub 2}, carbon-carbon bond cleavage occurs through hydrogenolysis on the noble metal without prior isomerization. As a consequence the product spectrum is less complex than on the bifunctional catalysts which makes the system particularly amenable to mechanistic studies. (orig.)

  18. Influence of internal refractive index gradients on size measurements of spherically symmetric particles by phase Doppler anemometry.

    Science.gov (United States)

    Schneider, M; Hirleman, E D

    1994-04-20

    A model based on geometric optics for predicting the response of interferometric (phase Doppler) instruments for size measurements of particles with radially symmetric but inhomogeneous internal refractive index profiles is developed. The model and results are important for applications in which heat or mass transfer from the particles or droplets is significant, for example, in liquid-fuel combustion. To quantify the magnitude of potential bias errors introduced by the classical assumption of uniform internal properties on phase Doppler measurements, we compute calibration curves for a sequence of times during the evaporation of a decane droplet immersed in an environment of T = 2000 K and p = 10 bars. The results reveal considerable effects on the relation between phase difference and droplet diameter caused by the refractive index gradients present. The model provides an important tool to assess sizing uncertainties that can be expected when applying conventional (based on uniform properties) phase Doppler calibration curves in spray combustion and similar processes.

  19. Total synthesis of solanoeclepin A

    Science.gov (United States)

    Tanino, Keiji; Takahashi, Motomasa; Tomata, Yoshihide; Tokura, Hiroshi; Uehara, Taketo; Narabu, Takashi; Miyashita, Masaaki

    2011-06-01

    Cyst nematodes are troublesome parasites that live on, and destroy, a range of important host vegetable plants. Damage caused by the potato cyst nematode has now been reported in over 50 countries. One approach to eliminating the problem is to stimulate early hatching of the nematodes, but key hatching stimuli are not naturally available in sufficient quantities to do so. Here, we report the first chemical synthesis of solanoeclepin A, the key hatch-stimulating substance for potato cyst nematode. The crucial steps in our synthesis are an intramolecular cyclization reaction for construction of the highly strained tricyclo[5.2.1.01,6]decane skeleton (DEF ring system) and an intramolecular Diels-Alder reaction of a furan derivative for the synthesis of the ABC carbon framework. The present synthesis has the potential to contribute to addressing one of the critical food issues of the twenty-first century.

  20. Acid digestion of organic liquids

    International Nuclear Information System (INIS)

    Partridge, J.A.; Bosuego, G.P.

    1980-10-01

    Laboratory studies on the destruction of liquid organic wastes by acid digestion are discussed. A variety of liquid waste types was tested, including those encountered in the nuclear industry as well as some organic liquids representative of non-nuclear industrial wastes. The liquids tested were vacuum pump oil, tri-n-butyl phosphate (TBP), normal paraffin hydrocarbon solvent (NPH), a mixture of 30 vol% TBP in NPH, carbon tetrachloride (CCl 4 ), trichloroethane, toluene, hexone (methyl isobutyl ketone), a mixture of hexone and NPH, polychlorobiphenyl (PCB), isopropanol, normal-decane, and two waste organic solutions from Hanford radioactive waste tanks. The tests demonstrated that several types of organic liquids can be destroyed by the acid digestion process. 8 figures, 19 tables

  1. Catalytic dehydroaromatization of n-alkanes by pincer-ligated iridium complexes

    Science.gov (United States)

    Ahuja, Ritu; Punji, Benudhar; Findlater, Michael; Supplee, Carolyn; Schinski, William; Brookhart, Maurice; Goldman, Alan S.

    2011-02-01

    Aromatic hydrocarbons are among the most important building blocks in the chemical industry. Benzene, toluene and xylenes are obtained from the high temperature thermolysis of alkanes. Higher alkylaromatics are generally derived from arene-olefin coupling, which gives branched products—that is, secondary alkyl arenes—with olefins higher than ethylene. The dehydrogenation of acyclic alkanes to give alkylaromatics can be achieved using heterogeneous catalysts at high temperatures, but with low yields and low selectivity. We present here the first catalytic conversion of n-alkanes to alkylaromatics using homogeneous or molecular catalysts—specifically ‘pincer’-ligated iridium complexes—and olefinic hydrogen acceptors. For example, the reaction of n-octane affords up to 86% yield of aromatic product, primarily o-xylene and secondarily ethylbenzene. In the case of n-decane and n-dodecane, the resulting alkylarenes are exclusively unbranched (that is, n-alkyl-substituted), with selectivity for the corresponding o-(n-alkyl)toluene.

  2. Molecular interaction of a potent nonpeptide agonist with the chemokine receptor CCR8

    DEFF Research Database (Denmark)

    Jensen, Pia C; Nygaard, Rie; Thiele, Stefanie

    2007-01-01

    Most nonpeptide antagonists for CC-chemokine receptors share a common pharmacophore with a centrally located, positively charged amine that interacts with the highly conserved glutamic acid (Glu) located in position 6 of transmembrane helix VII (VII:06). We present a novel CCR8 nonpeptide agonist......, 8-[3-(2-methoxyphenoxy)benzyl]-1-phenethyl-1,3,8-triaza-spiro[4.5]decan-4-one (LMD-009), that also contains a centrally located, positively charged amine. LMD-009 selectively stimulated CCR8 among the 20 identified human chemokine receptors. It mediated chemotaxis, inositol phosphate accumulation......-binding pockets of CCR8 uncovered that the binding of LMD-009 and of four analogs [2-(1-(3-(2-methoxyphenoxy)benzyl)-4-hydroxypiperidin-4-yl)benzoic acid (LMD-584), N-ethyl-2-4-methoxybenzenesulfonamide (LMD-902), N-(1-(3-(2-methoxyphenoxy)benzyl)piperidin-4-yl)-2-phenyl-4-(pyrrolidin-1yl)butanamide (LMD-268...

  3. The influence of petroleum asphaltenic sub fractions on the demulsifiers performance; Influencia de subfracoes asfaltenicas de petroleo sobre a acao de desemulsificantes

    Energy Technology Data Exchange (ETDEWEB)

    Honse, Siller O.; Mansur, Claudia R.E.; Lucas, Elizabete F. [Universidade Federal do Rio de Janeiro (IMA/UFRJ), RJ (Brazil). Inst. de Macromoleculas. Lab. de Macromoleculas e Coloides na Industria de Petroleo], e-mail: celias@ima.ufrj.br

    2011-07-01

    The aim of this work is to evaluate the influence of asphaltene fractions and subfractions on the stabilization of petroleum emulsions, as well as on the efficiency of demulsifiers based on poly(ethylene oxide-b-propylene oxide) (PEO-PPO). Asphaltenes were extracted from an asphaltic residue using n-heptane (C5 asphaltenes) and n-decane (asphaltenes C10). Intermediate subfractions were also obtained. Model emulsions, consisted of water and dispersions of the asphaltene in toluene were prepared, with and without adding demulsifier. The stability of the emulsions was higher when adding more polar fractions. However, asphaltenes presenting a broad distribution of polarity cause higher emulsion stability than that presenting very narrow distribution of intermediate polarity. The efficiency of PEO-PPO copolymer on emulsions separation is related to the original stability of the emulsions. In this work, it was confirmed that branched surfactant presents higher efficiency than the linear. (author)

  4. Non-spherical micelles in an oil-in-water cubic phase

    DEFF Research Database (Denmark)

    Leaver, M.; Rajagopalan, V.; Ulf, O.

    2000-01-01

    phase, both with and without SDS, was established by NMR self-diffusion. In addition H-2 NMR relaxation experiments have demonstrated that the micelles in the cubic phase are non-spherical, having grown and changed shape upon formation of the cubic phase from the micellar solution. Small angle...... associated with the micellar cubic phase, Pm3n and Fd3m. The micellar volumes calculated for these space groups are similar and are consistent with a change in micellar geometry from spherical to prolate.......The cubic phase formed between the microemulsion and hexagonal phases of the ternary pentaethylene glycol dodecyl ether (C12E5)-decane-water system and that doped with small amounts of sodium dodecylsulfate (SDS) have been investigated. The presence of discrete oil-swollen micelles in the cubic...

  5. Density and Compressibility of Multicomponent n-Alkane Mixtures up to 463 K and 140 MPa

    DEFF Research Database (Denmark)

    Regueira, Teresa; Glykioti, Maria-Lito; Stenby, Erling Halfdan

    2017-01-01

    Density measurements of two ternary alkane mixtures (methane/n-butane/n-decane and methane/n-butane/n-dodecane) and two multicomponent mixtures composed of methane/n-butane/n-octane/n-dodecane/n-hexadecane/n-eicosane were performed in the temperature range from (278.15 to 463.15) K and pressures ......–Redlich–Kwong (SRK), Peng–Robinson (PR), Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT), and Soave-Benedict-Webb-Rubin (Soave-BWR) were used for predicting the experimental density values as well as the excess volumes....... to 140 MPa. The isothermal compressibility values of these mixtures were obtained by differentiation from a Tait-type fitting of experimental densities as a function of temperature and pressure. Excess volume of the studied mixtures was also determined. Four different equations of state, that is, Soave...

  6. An installation for the preparation of radioelements using the Szilard-Chalmers effect (1961)

    International Nuclear Information System (INIS)

    Douis, M.; Valade, J.

    1961-01-01

    The obtention of high specific activities is sometimes necessary for certain applications of radioelements which cannot otherwise be used readily. This is the case for example, in medical applications where a radioisotope like As 76 must not poison a patient before curing him. Similarly Cr 51 should have a high specific activity for marking red blood corpuscles, since only a limited amount of chromium can be introduced into the blood stream. It seemed to be of interest to build, in the high activity laboratories at Saclay, a single block grouping all the 'Szilard' preparations and to add to it annexe departments for storage, de-canning of the irradiated products, and distribution of the final solutions. The radioelements prepared in this installation are Cr 51 , As 76 , Zn 65 , Cu 64 and Fe 55 + Fe 59 . In the first part we describe the installation and we then give the chemical methods used. (authors) [fr

  7. Towards thiol functionalization of vanadium pentoxide nanotubes using gold nanoparticles

    International Nuclear Information System (INIS)

    Lavayen, V.; O'Dwyer, C.; Cardenas, G.; Gonzalez, G.; Sotomayor Torres, C.M.

    2007-01-01

    Template-directed synthesis is a promising route to realize vanadate-based 1-D nanostructures, an example of which is the formation of vanadium pentoxide nanotubes and associated nanostructures. In this work, we report the interchange of long-chained alkyl amines with alkyl thiols. This reaction was followed using gold nanoparticles prepared by the Chemical Liquid Deposition (CLD) method with an average diameter of ∼0.9nm and a stability of ∼85 days. V 2 O 5 nanotubes (VOx-NTs) with lengths of ∼2μm and internal hollow diameters of 20-100nm were synthesized and functionalized in a Au-acetone colloid with a nominal concentration of ∼4x10 -3 mol dm -3 . The interchange reaction with dodecylamine is found only to occur in polar solvents and incorporation of the gold nanoparticles is not observed in the presence of n-decane

  8. Autoradiographic study on percutaneous absorption of several oils useful for cosmetics

    International Nuclear Information System (INIS)

    Suzuki, M.; Asaba, K.; Komatsu, H.; Mochizuka, M.

    1978-01-01

    Percutaneous absorption of five 14 C-labelled oils, n-octadecane, decanoxy decane, 2-hexyldecanoxy octane, isopropyl myristate and glyceryl tri-(oleate), commonly used is cosmetics were studied from the point of view of their safety. In whole body autoradiography of hairless mice, there was no visible penetration into the skin and organs, whereas microautoradiography of guinea pigs showed local penetration. Isopropyl myristate penetrated to the greatest extent, whereas 2-hexyldecanoxy octane was hardly absorbed. Percutaneous absorption of these two oils, therefore, was examined in Angora rabbits by microautoradiography simultaneously with skin irritation potential by a histological method, from the following aspects, (1) patterns of penetration and irritation in relation to application time and (2) fate within the skin and pattern of irritation after application. In addition, intradermal metabolic fate was studied in vivo. (author)

  9. Bis-spirochromanones as potent inhibitors of Mycobacterium tuberculosis: synthesis and biological evaluation.

    Science.gov (United States)

    Dongamanti, Ashok; Aamate, Vikas Kumar; Devulapally, Mohan Gandhi; Gundu, Srinivas; Balabadra, Saikrishna; Manga, Vijjulatha; Yogeeswari, Perumal; Sriram, Dharmarajan; Balasubramanian, Sridhar

    2017-11-01

    On the basis of reported antimycobacterial property of chroman-4-one pharmacophore, a series of chemically modified bis-spirochromanones were synthesized starting from 2-hydroxyacetophenone and 1,4-dioxaspiro[4.5] decan-8-one using a Kabbe condensation approach. The synthesized bis-spirochromanones were established based on their spectral data and X-ray crystal structure of 6e. All synthesized compounds were evaluated against Mycobacterium tuberculosis H37Rv (ATCC 27294) strain, finding that some products exhibited good antimycobacterial activity with minimum inhibitory concentration as low as [Formula: see text]. Docking studies were carried out to identify the binding interactions of compounds II, 6a and 6n with FtsZ. Compounds exhibiting good in vitro potency in the MTB MIC assay were further evaluated for toxicity using the HEK cell line.

  10. Comparison between sampling and analytical methods in characterization of pollutants in biogas.

    Science.gov (United States)

    Mariné, Sílvia; Pedrouzo, Marta; Marcé, Rosa Maria; Fonseca, Ignacio; Borrull, Francesc

    2012-10-15

    Different sampling methods involving the collection of biogas by Tedlar bags or adsorption tubes, and different GC-MS injection systems, loop injection or cold trap injection (with bags or by tube desorption), were compared to establish the best method to determine the minority compounds in biogas from sewage treatment plants (STPs). A study of parameters is included, such as the stability of compounds in Tedlar bags or cartridges and the adsorption effect of some less volatile compounds in the thermal desorption system (TD). The optimized methods allowed to determine most compounds at low mgm(-3) levels. Among them, maximum values of D5 (4.84 mg m(-3)), decane (95-118 mg m(-3)) and H(2)S (2223 mg m(-3)) were found in biogas samples. Copyright © 2012 Elsevier B.V. All rights reserved.

  11. Induction of apoptosis by Citrus paradisi essential oil in human leukemic (HL-60) cells.

    Science.gov (United States)

    Hata, Tomona; Sakaguchi, Ikuyo; Mori, Masahiro; Ikeda, Norikazu; Kato, Yoshiko; Minamino, Miki; Watabe, Kazuhito

    2003-01-01

    Limonene is a primary component of citrus essential oils (EOs) and has been reported to induce apoptosis on tumor cells. Little is known about induction of apoptosis by citrus EOs. In this study, we examined induction of apoptosis by Citrus aurantium var. dulcis (sweet orange) EO, Citrus paradisi (grapefruit) EO and Citrus limon (lemon) EO. These EOs induced apoptosis in HL-60 cells and the apoptosis activities were related to the limonene content of the EOs. Moreover, sweet orange EO and grapefruit EO may contain components besides limonene that have apoptotic activity. To identify the components with apoptotic activity, grapefruit EO was fractionated using silica gel columns, and the components were analyzed by GC-MS. The n-hexane fraction contained limonene, and the dichloromethane fraction (DF) contained aldehyde compounds and nootkatone. Decanal, octanal and citral in the DF showed strong apoptotic activity, suggesting that the aldehyde compounds induced apoptosis strongly in HL-60 cells.

  12. Extraction of beryllium sulfate by a long chain amine

    International Nuclear Information System (INIS)

    Etaix, E.S.

    1968-01-01

    The extraction of sulfuric acid in aqueous solution by a primary amine in benzene solution, 3-9 (diethyl) - 6-amino tri-decane (D.E.T. ) - i.e., with American nomenclature 1-3 (ethyl-pentyl) - 4-ethyl-octyl amine (E.P.O.) - has made it possible to calculate the formation constants of alkyl-ammonium sulfate and acid sulfate. The formula of the beryllium and alkyl-ammonium sulfate complex formed in benzene has next been determined, for various initial acidity of the aqueous solution. Lastly, evidence has been given of negatively charged complexes of beryllium and sulfate in aqueous solution, through the dependence of the aqueous sulfate ions concentration upon beryllium extraction. The formation constant of these anionic complexes has been evaluated. (author) [fr

  13. Distribution of Complex Chemicals in Oil-Water Systems

    DEFF Research Database (Denmark)

    Riaz, Muhammad

    condensates, MEG and water has been measured in the temperature range of 275-326 K at atmospheric pressure. The detailed composition of condensates is measured by GC analysis and 85 components are identified up to n-nonane and hundreds of ill-defined components in decane plus fraction. In order to develop...... and tested for such measurements. The mutual solubility of two North Sea condensates, MEG and water has been measured in the temperature range of 275-326 K at atmospheric pressure. The detailed composition of condensates is measured by GC analysis and 85 components are identified up to n-nonane and hundreds...... the mutual solubility of condensate/oil, MEG and water is predicted satisfactorily using the same average kij for MEG-HC pairs and water-HC kij from a generalized correlation as a function of carbon number. The experimental trends in mutual solubility as a function of temperature and MEG content in polar...

  14. Effect of AOT Microemulsion Composition on the Hydrodynamic Diameter and Electrophoretic Mobility of Titanium Oxide Nanoparticles

    Science.gov (United States)

    Shaparenko, N. O.; Beketova, D. I.; Demidova, M. G.; Bulavchenko, A. I.

    2018-05-01

    The hydrodynamic diameter and electrophoretic mobility of titania nanoparticles in AOT microemulsions are studied depending on their water content (from 0 to 1.5 vol %), chloroform content in n-decane-chloroform mixture (from 0 to 30 vol %) and temperature (from 0 to 60°C). Considerable changes in diameter (from 20 to 400 nm) are detected upon adding water to the microemulsion. The electrophoretic mobility grows by 2-3 times upon adding chloroform, or as the temperature falls. The observed features allow us to halve the time of electrophoretic concentration for 140 nm TiO2 nanoparticles, and to concentrate 14 nm nanoparticles that do not exhibit electrophoretic mobility in the absence of chloroform.

  15. (Liquid + liquid) equilibria of binary systems containing hyperbranched polymer Boltorn (registered) H2004 - Experimental study and modelling in terms of lattice-cluster theory

    International Nuclear Information System (INIS)

    Domanska, Urszula; Paduszynski, Kamil; Zolek-Tryznowska, Zuzanna

    2011-01-01

    (Liquid + liquid) phase equilibria (LLE) of binary mixtures containing hyperbranched polymer Boltorn (registered) H2004 and n-alkanes (n-hexane, n-heptane, n-octane, and n-decane) were studied over the temperature range from about (260 up to 360) K. The polymer is partially miscible with n-alkanes and the solubility decreases with an increase of the chain length of the solvent. Corresponding LLE phase diagrams including spinodal and binodal (liquid + liquid) coexistence curves were calculated in terms of the statistical mechanics - based on the lattice-cluster theory, based only on the upper critical solution temperature, and the polymer chain architecture. The results show semi-qualitative agreement of predicted and experimental equilibrium compositions and temperatures. Boltorn (registered) H2004 reveals complete miscibility in the liquid phase with alcohols (C 1 -C 8 ), aromatic hydrocarbons (benzene, toluene, and thiophene), and ethers (methyl tetra-butyl ether, ethyl tetra-butyl ether, and tetrahydrofurane).

  16. The influence of vapor superheating on the level of heat regeneration in a subcritical ORC coupled with gas power plant

    Science.gov (United States)

    Wiśniewski, Sławomir; Borsukiewicz-Gozdur, Aleksandra

    2010-09-01

    The authors presented problems related to utilization of exhaust gases of the gas turbine unit for production of electricity in an Organic Rankine Cycle (ORC) power plant. The study shows that the thermal coupling of ORC cycle with a gas turbine unit improves the efficiency of the system. The undertaken analysis concerned four the so called "dry" organic fluids: benzene, cyclohexane, decane and toluene. The paper also presents the way how to improve thermal efficiency of Clausius-Rankine cycle in ORC power plant. This method depends on applying heat regeneration in ORC cycle, which involves pre-heating the organic fluid via vapour leaving the ORC turbine. As calculations showed this solution allows to considerably raise the thermal efficiency of Clausius-Rankine cycle.

  17. Pore Scale Dynamics of Microemulsion Formation.

    Science.gov (United States)

    Unsal, Evren; Broens, Marc; Armstrong, Ryan T

    2016-07-19

    Experiments in various porous media have shown that multiple parameters come into play when an oleic phase is displaced by an aqueous solution of surfactant. In general, the displacement efficiency is improved when the fluids become quasi-miscible. Understanding the phase behavior oil/water/surfactant systems is important because microemulsion has the ability to generate ultralow interfacial tension (microemulsion formation and the resulting properties under equilibrium conditions. However, the majority of applications where microemulsion is present also involve flow, which has received relatively less attention. It is commonly assumed that the characteristics of an oil/water/surfactant system under flowing conditions are identical to the one under equilibrium conditions. Here, we show that this is not necessarily the case. We studied the equilibrium phase behavior of a model system consisting of n-decane and an aqueous solution of olefin sulfonate surfactant, which has practical applications for enhanced oil recovery. The salt content of the aqueous solution was varied to provide a range of different microemulsion compositions and oil-water interfacial tensions. We then performed microfluidic flow experiments to study the dynamic in situ formation of microemulsion by coinjecting bulk fluids of n-decane and surfactant solution into a T-junction capillary geometry. A solvatochromatic fluorescent dye was used to obtain spatially resolved compositional information. In this way, we visualized the microemulsion formation and the flow of it along with the excess phases. A complex interaction between the flow patterns and the microemulsion properties was observed. The formation of microemulsion influenced the flow regimes, and the flow regimes affected the characteristics of the microemulsion formation. In particular, at low flow rates, slug flow was observed, which had profound consequences on the pore scale mixing behavior and resulting microemulsion properties.

  18. Isolation, characterization and exploring biotechnological potential of halophilic archaea from salterns of western India.

    Science.gov (United States)

    Singh, Aparna; Singh, Anil Kumar

    2018-01-01

    Thirteen halophilic archaea were isolated from Kandla and Bhayander salt pans. These isolates were grouped into three different genera Halobacterium, Haloferax and Haloarcula based on morphological and biochemical characterization, polar lipid analysis, Amplified 16S rDNA restriction analysis (ARDRA) and 16S rDNA sequence analysis. Biochemical characterization suggested the ability of isolates to produce protease, amylase and poly-hydroxybutyrate (PHB) indicating their biotechnological potential. The isolates were further screened for the amount of extracellular protease produced. Halobacterium sp. SP1(1) showed significant protease production compared to other isolates. Protease producing ability of the isolate was influenced by several factors such as NaCl concentration, type of protein source, metal ions and surfactants, and presence of amino acid supplements in the production medium. Soybean flour, FeCl 3 and dicotylsulfosuccinate were found to increase protease production by 2.36, 1.54 and 1.26 folds, respectively compared to production in basal medium. Effect of organic solvents used in paints (n-decane, n-undecane and n-dodecane) was also investigated on protease production by the isolate. Protease production by Halobacterium sp. SP1(1) was enhanced by 1.2 folds in presence of n-decane compared to control. Furthermore, the ability of isolate to hydrolyse fish protein was investigated using three different edible fishes (Pomfret, Flat fish and Seer fish) as sole protein source. Pomfret was found to be a good protein source for protease production by the isolate. These results revealed that Halobacterium sp. SP1(1) may have potential for paint-based antifouling coating preparations and fish sauce preparation by virtue of its extracellular protease.

  19. Smooth perfluorinated surfaces with different chemical and physical natures: their unusual dynamic dewetting behavior toward polar and nonpolar liquids.

    Science.gov (United States)

    Cheng, Dalton F; Masheder, Benjamin; Urata, Chihiro; Hozumi, Atsushi

    2013-09-10

    The effects of surface chemistry and the mobility of surface-tethered functional groups of various perfluorinated surfaces on their dewetting behavior toward polar (water) and nonpolar (n-hexadecane, n-dodecane, and n-decane) liquids were investigated. In this study, three types of common smooth perfluorinated surfaces, that is, a perfluoroalkylsilane (heptadecafluoro-1,1,2,2-tetrahydrooctyl-dimethylchlorosilane, FAS17) monomeric layer, an amorphous fluoropolymer film (Teflon AF 1600), and a perfluorinated polyether (PFPE)-terminated polymer brush film (Optool DSX), were prepared and their static/dynamic dewetting characteristics were compared. Although the apparent static contact angles (CAs) of these surfaces with all probe liquids were almost identical to each other, the ease of movement of liquid drops critically depended on the physical (solidlike or liquidlike) natures of the substrate surface. CA hysteresis and substrate tilt angles (TAs) of all probe liquids on the Optool DSX surface were found to be much lower than those of Teflon AF1600 and FAS17 surfaces due to its physical polymer chain mobility at room temperature and the resulting liquidlike nature. Only 6.0° of substrate incline was required to initiate movement for a small drop (5 μL) of n-decane, which was comparable to the reported substrate TA value (5.3°) for a superoleophobic surface (θ(S) > 160°, textured perfluorinated surface). Such unusual dynamic dewetting behavior of the Optool DSX surface was also markedly enhanced due to the significant increase in the chain mobility of PFPE by moderate heating (70 °C) of the surface, with substrate TA reducing to 3.0°. CA hysteresis and substrate TAs rather than static CAs were therefore determined to be of greater consequence for the estimation of the actual dynamic dewetting behavior of alkane probe liquids on these smooth perfluorinated surfaces. Their dynamic dewettability toward alkane liquids is in the order of Optool DSX > Teflon AF1600

  20. Experimental determination of critical data of multi-component mixtures containing potential gasoline additives 2-butanol by a flow-type apparatus

    International Nuclear Information System (INIS)

    He, Maogang; Xin, Nan; Wang, Chengjie; Liu, Yang; Zhang, Ying; Liu, Xiangyang

    2016-01-01

    Graphical abstract: Experimental critical pressures of 2-butanol + hexane + heptane system. - Highlights: • Critical properties of six binary systems and two ternary systems were measured. • Six binary systems containing 2-butanol show non-ideal behavior in their T c –x 1 curves. • Non-ideal behavior of mixtures with 2-butanol relies on azeotropy. • Experimental data for binary systems were fitted well with Redlich–Kister equation. • Critical surfaces of ternary systems were plotted using the Cibulka’s expressions. - Abstract: In this work, we used a flow method for measurement of critical properties of six binary mixtures (2-butanol + cyclohexane, 2-butanol + hexane, 2-butanol + heptane, 2-butanol + octane, 2-butanol + nonane and 2-butanol + decane) and two ternary mixtures (2-butanol + hexane + heptane and 2-butanol + octane + decane). The critical properties were determined by observing the disappearance and reappearance of the gas–liquid phase meniscus in a quartz glass tube. The standard uncertainties of temperatures and pressures for both binary and ternary mixtures were estimated to be less than 0.2 K and 5.2 kPa, respectively. These critical data provide the boundaries of the two-phase regions of the related mixture systems. Six binary systems show non-ideal behaviors in the loci of critical temperatures. We used the Redlich–Kister equations to correlate the critical temperatures and pressures of these systems and listed the binary interaction parameters. The maximum average absolute deviation (AAD) of each binary system between experimental data and calculated results from Redlich–Kister equations is 0.038% for critical temperatures, and 0.244% for critical pressures. Moreover, the two ternary systems were newly reported and correlated by Cibulka’s and Singh’s expressions. The maximum AAD of critical temperatures and critical pressures are 0.103% and 0.433%, respectively.

  1. Terpene Profile, Leaf Anatomy, and Enzyme Activity of Resistant and Susceptible Cocoa Clonesto Vascular Streak Dieback Disease

    Directory of Open Access Journals (Sweden)

    Adi Prawoto

    2014-10-01

    Full Text Available Vascular-streak dieback (VSD, Oncobasidium theobromae is the most prevalent disease of Theobroma cacao L. in Indonesia. This study aims to analyze resistance mechanism to VSD based on terpene profile, leaf anatomy, chitinase, and peroxidase study. Resistant clones of Sulawesi 1 and Sca 6 and susceptible clones of ICS 60 and TSH 858 were used for terpene profile, leaf anatomy analysis, chitinase, peroxides, polyphenol, lignin, and cellulose analysis. Those clones and KEE 2, KKM 22 and ICS 13 were used for peroxides analysis. For trichome study, the resistant clones of Sulawesi 1, Sca 6, KEE 2, and KKM 22, and susceptible clones of ICS 60 and TSH 858 were used. GCMS analysis showed that chromatogram pattern of resistant and susceptible groups were quite similar, but resistant clones contained 22% more components than the susceptible ones. Resistant clones contained groups of pinene, decane, myrcene, and octadecanoic acid, while those substances on usceptible clones were absent. Trichome was thicker on younger leaf, and its density on the basal was higher than that on the middle and tip leaf parts. Trichome density of resistant clone was not always thicker than that of susceptible ones. On resistant clones, stomatal density was lower and width of stomate pits was narrower, while thickness of epidermis layer and pallisade parenchym were higher. Polyphenol content of resistant clones were higher but lignin and cellulose of both groups were similar. Chitinase activity which has a role in hydrolysis of mycelia cell wall was higher on the resistant clones, but peroxides which has a role in polymeration of lignin biosynthesis was similar between both groups. It is concluded that groups of terpene pinene, decane, myrcene, and octadecanoic acid, thickness of leaf epidermis, density and width of stomata pit, and chitinase activity plays important role in cocoa resistance to VSD. Key words: Theobroma cacaoL., clone, vascular-streak dieback, resistance, leaf

  2. Synthesis of fluorine- doped silica-coating by fluorosilane nanofluid to ultrahydrophobic and ultraoleophobic surface

    Science.gov (United States)

    Saboori, R.; Azin, R.; Osfouri, Sh; Sabbaghi, S.; Bahramian, A.

    2017-10-01

    Liquid repellency treatment has many applications in various sectors including oil and gas reservoirs and self-cleaning surfaces. In this study, effect of silica, fluorine-doped silica and fluorine-doped silica-coating by fluorosilane nanofluid on ultrahydrophobic and ultraoleophobic surface of carbonate and sandstone rock were investigated. The nanoparticles were synthesized by sol-gel method and characterized using XRD, FTIR, FESEM and DLS and nanofluid was prepared. F-SiO2-F nanoparticle was adsorbed on surface of rocks and confirmed by FESEM and EDXA. Effect of nanofluid on wettability was investigated by measuring contact angles of water, crude oil, condensate, n-decane and ethylene glycol in air and stability of ultrahydrophobic and ultraoleophobic was investigated. Results show that nanofluid (0.05 wt% of nanoparticle) changes contact angle from strongly liquid-wet to strongly gas-wet in all systems. The original contact angle of water, crude oil, condensate, n-decane and ethylene glycol were 37.95°, 0°, 0°, 0° and 0° for carbonate rock and 40.30°, 0°, 0°, 0° and 0° for sandstone rock which altered to 146.47°, 145.59°, 138.24°, 139.06° and 146.52° for carbonate rock and 160.01°, 151.40°, 131.85°, 140.27° and 151.70° for sandstone rock after treatment. The ultraoleophobic and ultrahydrophobic stability were  >48 h and 120 min.

  3. Interfacial behavior of polar, weakly polar, and nonpolar compounds bound to activated carbons.

    Science.gov (United States)

    Gun'ko, V M; Turov, V V; Zarko, V I; Goncharuk, O V; Nychiporuk, Yu M; Kozynchenko, O P; Skubiszewska-Zięba, J; Leboda, R; Charmas, B; Balakin, D Yu; Ptushinskii, Yu G

    2013-08-15

    Detailed analysis of the interfacial behavior of water and weakly polar or nonpolar organics adsorbed alone or co-adsorbed onto activated carbons (AC) at different temperatures is a complex problem important for practical applications of adsorbents. Interaction of water, 1-decanol, and n-decane with AC possessing highly developed porosity (pore volume Vp≈1.4-2.3 cm(3)/g, specific surface area S(BET)≈1500-3500 m(2)/g) was studied over a broad temperature range using differential scanning calorimetry (DSC), thermoporometry, (1)H NMR spectroscopy, cryoporometry, and temperature-programmed desorption with mass-spectrometry control methods. Comparison of the pore size distributions (PSD) calculated using the DSC thermoporometry, NMR cryoporometry, and nitrogen adsorption isotherms allows us to determine localization of adsorbates in different pores, as well as changes in the PSD of AC due to freezing of adsorbates in pores. Theoretical calculations (using ab initio HF/6-31G(d,p), DFT B3LYP/6-31G(d,p), and PM7 methods) explain certain aspects of the interfacial behavior of water, decane, and decanol adsorbed onto AC that appear in the experimental data. Obtained results show strong temperature dependence (above and below the freezing point, Tf, of bulk liquids) of the interfacial behavior of adsorbates on the textural characteristics and hydrophilic/hydrophobic properties of AC and the adsorbate amounts that affect the distributions of adsorbates unfrozen at T

  4. Formation of high-molecular-weight compounds via the heterogeneous reactions of gaseous C8-C10 n-aldehydes in the presence of atmospheric aerosol components

    Science.gov (United States)

    Han, Yuemei; Kawamura, Kimitaka; Chen, Qingcai; Mochida, Michihiro

    2016-02-01

    A laboratory study on the heterogeneous reactions of straight-chain aldehydes was performed by exposing n-octanal, nonanal, and decanal vapors to ambient aerosol particles. The aerosol and blank filters were extracted using methanol. The extracts were nebulized and the resulting compositions were examined using a high-resolution time-of-flight aerosol mass spectrometer. The mass spectral analysis showed that the exposures of the aldehydes to aerosol samples increased the peak intensities in the high mass range. The peaks in the mass spectra of the aerosol samples after exposure to different aldehydes were characterized by a homologous series of peak shifts due to the addition of multiple CH2 units. This result is explained by the formation of high-molecular-weight (HMW) compounds that contain single or multiple aldehyde moieties. The HMW fragment peaks for the blank filters exposed to n-aldehydes were relatively weak, indicating an important contribution from the ambient aerosol components to the formation of the HMW compounds. Among the factors affecting the overall interaction of aldehydes with atmospheric aerosol components, gas phase diffusion possibly limited the reactions under the studied conditions; therefore, their occurrence to a similar degree in the atmosphere is not ruled out, at least for the reactions involving n-nonanal and decanal. The major formation pathways for the observed HMW products may be the self-reactions of n-aldehydes mediated by atmospheric aerosol components and the reactions of n-aldehydes with organic aerosol components. The observed formation of HMW compounds encourages further investigations into their effects on the aerosol properties as well as the organic aerosol mass in the atmosphere.

  5. Natural Occurrence of Aldol Condensation Products in Valencia Orange Oil.

    Science.gov (United States)

    Abreu, Ingo; Da Costa, Neil C; van Es, Alfred; Kim, Jung-A; Parasar, Uma; Poulsen, Mauricio L

    2017-12-01

    Cold pressed orange oils contain predominantly d-limonene (approximately 95%) and various other lower concentration monoterpenes, sesquiterpenes, sinensals plus 3 key aliphatic aldehydes: hexanal, octanal. and decanal. The aldol self-condensation products or "dimers" for each aldehyde have been postulated as being present at low concentrations in the oil. However, to date only the hexanal dimer has been previously reported. In this paper, cold pressed Valencia orange oil was fractionally distilled/folded and analyzed by GC and high resolution GC-MS to detect these compounds on 2 different capillary column phases. Subsequently the hexanal, octanal, and decanal self-aldol condensation products, 2-butyl-2-octenal, 2-hexyl-2-decenal, and 2-octyl-2-dodecenal, respectively, were detected in the folded oil. These predominantly trans configuration isomeric compounds were synthesized, to confirm them as being present in nature and evaluated organoleptically by a panel of evaluators. To further confirm the mechanism of their formation, the enriched oil was made into a simple beverage to show the effect on the formation of these aldol compounds under acidic conditions. Finally aliphatic aldehydes from hexanal to undecanal were reacted together in various combinatorial pairs to give an additional 33 self and mixed aldol condensation products, some of which were also detected in the folded oil. This paper discloses the structural elucidation and synthesis of 8 novel aldol condensation products found at trace concentrations in citrus and leading to a further 31 mass spectrally determined aldol products. Sensory evaluations and application of some of these components were demonstrated in a model citrus beverage. © 2017 Institute of Food Technologists®.

  6. Metabolism of ginger component [6]-shogaol in liver microsomes from mouse, rat, dog, monkey, and human.

    Science.gov (United States)

    Chen, Huadong; Soroka, Dominique; Zhu, Yingdong; Sang, Shengmin

    2013-05-01

    There are limited data on the metabolism of [6]-shogaol (6S), a major bioactive component of ginger. This study demonstrates metabolism of 6S in liver microsomes from mouse, rat, dog, monkey, and human. The in vitro metabolism of 6S was compared among five species using liver microsomes from mouse, rat, dog, monkey, and human. Following incubations with 6S, three major reductive metabolites 1-(4'-hydroxy-3'-methoxyphenyl)-4-decen-3-ol (M6), 1-(4'-hydroxy-3'-methoxyphenyl)-decan-3-ol (M9), and 1-(4'-hydroxy-3'-methoxyphenyl)-decan-3-one (M11), as well as two new oxidative metabolites (1E,4E)-1-(4'-hydroxy-3'-methoxyphenyl)-deca-1,4-dien-3-one (M14) and (E)-1-(4'-hydroxy-3'-methoxyphenyl)-dec-1-en-3-one (M15) were found in all species. The kinetic parameters of M6 in liver microsomes from each respective species were quantified using Michaelis-Menten theory. A broad CYP-450 inhibitor, 1-aminobenzotriazole, precluded the formation of oxidative metabolites, M14 and M15, and 18β-glycyrrhetinic acid, an aldo-keto reductase inhibitor, eradicated the formation of the reductive metabolites M6, M9, and M11 in all species. Metabolites M14 and M15 were tested for cancer cell growth inhibition and induction of apoptosis and both showed substantial activity, with M14 displaying greater potency than 6S. We conclude that 6S is metabolized extensively in mammalian species mouse, rat, dog, monkey, and human, and that there are significant interspecies differences to consider when planning preclinical trials toward 6S chemoprevention. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Measurement and modelling of high pressure density and interfacial tension of (gas + n-alkane) binary mixtures

    International Nuclear Information System (INIS)

    Pereira, Luís M.C.; Chapoy, Antonin; Burgass, Rod; Tohidi, Bahman

    2016-01-01

    Highlights: • (Density + IFT) measurements are performed in synthetic reservoir fluids. • Measured systems include CO_2, CH_4 and N_2 with n-decane. • Novel data are reported for temperatures up to 443 K and pressures up to 69 MPa. • Predictive models are tested in 16 (gas + n-alkane) systems. • Best modelling results are achieved with the Density Gradient Theory. - Abstract: The deployment of more efficient and economical extraction methods and processing facilities of oil and gas requires the accurate knowledge of the interfacial tension (IFT) of fluid phases in contact. In this work, the capillary constant a of binary mixtures containing n-decane and common gases such as carbon dioxide, methane and nitrogen was measured. Experimental measurements were carried at four temperatures (313, 343, 393 and 442 K) and pressures up to 69 MPa, or near the complete vaporisation of the organic phase into the gas-rich phase. To determine accurate IFT values, the capillary constants were combined with saturated phase density data measured with an Anton Paar densitometer and correlated with a model based on the Peng–Robinson 1978 equation of state (PR78 EoS). Correlated density showed an overall percentage absolute deviation (%AAD) to measured data of (0.2 to 0.5)% for the liquid phase and (1.5 to 2.5)% for the vapour phase of the studied systems and P–T conditions. The predictive capability of models to accurately describe both the temperature and pressure dependence of the saturated phase density and IFT of 16 (gas + n-alkane) binary mixtures was assessed in this work by comparison with data gathered from the literature and measured in this work. The IFT models considered include the Parachor, the Linear Gradient Theory (LGT) and the Density Gradient Theory (DGT) approaches combined with the Volume-Translated Predictive Peng–Robinson 1978 EoS (VT-PPR78 EoS). With no adjustable parameters, the VT-PPR78 EoS allowed a good description of both solubility and

  8. Measurement of volatile organic compounds emitted in libraries and archives: an inferential indicator of paper decay?

    Directory of Open Access Journals (Sweden)

    Gibson Lorraine T

    2012-05-01

    Full Text Available Abstract Background A sampling campaign of indoor air was conducted to assess the typical concentration of indoor air pollutants in 8 National Libraries and Archives across the U.K. and Ireland. At each site, two locations were chosen that contained various objects in the collection (paper, parchment, microfilm, photographic material etc. and one location was chosen to act as a sampling reference location (placed in a corridor or entrance hallway. Results Of the locations surveyed, no measurable levels of sulfur dioxide were detected and low formaldehyde vapour (-3 was measured throughout. Acetic and formic acids were measured in all locations with, for the most part, higher acetic acid levels in areas with objects compared to reference locations. A large variety of volatile organic compounds (VOCs was measured in all locations, in variable concentrations, however furfural was the only VOC to be identified consistently at higher concentration in locations with paper-based collections, compared to those locations without objects. To cross-reference the sampling data with VOCs emitted directly from books, further studies were conducted to assess emissions from paper using solid phase microextraction (SPME fibres and a newly developed method of analysis; collection of VOCs onto a polydimethylsiloxane (PDMS elastomer strip. Conclusions In this study acetic acid and furfural levels were consistently higher in concentration when measured in locations which contained paper-based items. It is therefore suggested that both acetic acid and furfural (possibly also trimethylbenzenes, ethyltoluene, decane and camphor may be present in the indoor atmosphere as a result of cellulose degradation and together may act as an inferential non-invasive marker for the deterioration of paper. Direct VOC sampling was successfully achieved using SPME fibres and analytes found in the indoor air were also identified as emissive by-products from paper. Finally a new non

  9. Hot and cold water infusion aroma profiles of Hibiscus sabdariffa: fresh compared with dried.

    Science.gov (United States)

    Ramírez-Rodrigues, M M; Balaban, M O; Marshall, M R; Rouseff, R L

    2011-03-01

    Calyxes from the Roselle plant (Hibiscus sabdariffa L.) were used to prepare cold (22 °C for 4 h) and hot (98 °C for 16 min) infusions/teas from both fresh and dried forms. Aroma volatiles were extracted using static headspace SPME and analyzed using GC-MS and GC-O with 2 different columns (DB-5 and DB-Wax). Totals of 28, 25, 17, and 16 volatiles were identified using GC-MS in the dried hot extract (DHE), dried cold extract (DCE), fresh hot extract (FHE), and fresh cold extract (FCE) samples, respectively. In terms of total GC-MS peak areas DHE ≫ DCE > FHE ≫ FCE. Nonanal, decanal, octanal, and 1-octen-3-ol were among the major volatiles in all 4 beverage types. Thirteen volatiles were common to all 4 teas. Furfural and 5-methyl furfural were detected only in dried hibiscus beverages whereas linalool and 2-ethyl-1-hexanol were detected only in beverages from fresh hibiscus. In terms of aroma active volatiles, 17, 16, 13, and 10 aroma active volatiles were detected for DHE, DCE, FHE, and FCE samples, respectively. The most intense aroma volatiles were 1-octen-3-one and nonanal with a group of 4 aldehydes and 3 ketones common to all samples. Dried samples contained dramatically higher levels of lipid oxidation products such as hexanal, nonanal, and decanal. In fresh hibiscus extracts, linalool (floral, citrus) and octanal (lemon, citrus) were among the highest intensity aroma compounds but linalool was not detected in any of the dried hibiscus extracts. Hibiscus teas/infusions are one of the highest volume specialty botanical products in international commerce. The beverage is consumed for both sensory pleasure and health attributes and is prepared a number of ways throughout the world. Although color and taste attributes have been examined, little information is known about its aroma volatiles and no other study has compared extractions from both fresh and dried as well as extraction temperature differences. This is also, apparently, the first study to identify

  10. Synthesis and evaluation of iodine-123 labelled tricyclic tropanes as radioligands for the serotonin transporter

    International Nuclear Information System (INIS)

    Quinlivan, Mitchell; Mattner, Filomena; Papazian, Vahan; Zhou, Jia; Katsifis, Andrew; Emond, Patrick; Chalon, Sylvie; Kozikowski, Alan; Guilloteau, Denis; Kassiou, Michael

    2003-01-01

    The tricyclic tropane analogues (1S,3S,6R,10S)-(Z)-10-(benzoyloxymethyl)-9-(3-chloro-4-iodobenzylidene)-7 -azatricyclo[4.3.1.0 3,7 ]decane, 1, and (1S,3S,6R,10S)-(Z)-9-(3-chloro-4-iodobenzylidene)-7-azatricyclo[4.3.1.0 3,7 ] = decane-10-carboxylic acid methyl ester, 2, have been shown to be potent and selective serotonin transporter (SERT) ligands. They possess nanomolar affinity for the SERT (Ki = 0.06 nM and 1.8 nM respectively) and are suitable for radiolabelling using iodine-123. In the present study we prepared [ 123 I]1 and [ 123 I]2 from the appropriate tributylstannane precursors using acidic media with chloramine-T as the oxidising agent. The radiochemical yield obtained for [ 123 I]1 varied between 50-60% while for [ 123 I]2 the range was 65-80%. Both radioligands were obtained with radiochemical purity > 97% and specific activity estimated to be > 185 GBq/μmol. The biodistribution of [ 123 I]1 demonstrated low degree of brain penetration at 5 min (0.14%ID/g) with a homogenous distribution. The radioactivity cleared quickly from all brain regions with no preferential localization. In comparison, [ 123 I]2 demonstrated on average a higher brain uptake at 5 min (0.5%ID/g). However the distribution of radioactivity was homogenous and cleared to levels similar to [ 123 I]1 at 1 hr post-injection. Pre-administration of citalopram failed to show any significant inhibition of [ 123 I]2 uptake in the rat brain. The high lipophilicity of 1 and 2 (HPLC-derived log P 7.4 values of 6.41 and 4.25 respectively) and in vivo metabolism, seen by high thyroid uptake would explain the absence of any specific binding observed in the rat brain. In view of these results [ 123 I]1 and [ 123 I]2 do not appear to be suitable radioligands for in vivo studies of the SERT

  11. Synthesis and evaluation of iodine-123 labelled tricyclic tropanes as radioligands for the serotonin transporter

    Energy Technology Data Exchange (ETDEWEB)

    Quinlivan, Mitchell; Mattner, Filomena; Papazian, Vahan; Zhou, Jia; Katsifis, Andrew; Emond, Patrick; Chalon, Sylvie; Kozikowski, Alan; Guilloteau, Denis; Kassiou, Michael E-mail: mkassiou@med.usyd.edu.au

    2003-10-01

    The tricyclic tropane analogues (1S,3S,6R,10S)-(Z)-10-(benzoyloxymethyl)-9-(3-chloro-4-iodobenzylidene)-7 -azatricyclo[4.3.1.0{sup 3,7}]decane, 1, and (1S,3S,6R,10S)-(Z)-9-(3-chloro-4-iodobenzylidene)-7-azatricyclo[4.3.1.0{sup 3,7}] = decane-10-carboxylic acid methyl ester, 2, have been shown to be potent and selective serotonin transporter (SERT) ligands. They possess nanomolar affinity for the SERT (Ki = 0.06 nM and 1.8 nM respectively) and are suitable for radiolabelling using iodine-123. In the present study we prepared [{sup 123}I]1 and [{sup 123}I]2 from the appropriate tributylstannane precursors using acidic media with chloramine-T as the oxidising agent. The radiochemical yield obtained for [{sup 123}I]1 varied between 50-60% while for [{sup 123}I]2 the range was 65-80%. Both radioligands were obtained with radiochemical purity > 97% and specific activity estimated to be > 185 GBq/{mu}mol. The biodistribution of [{sup 123}I]1 demonstrated low degree of brain penetration at 5 min (0.14%ID/g) with a homogenous distribution. The radioactivity cleared quickly from all brain regions with no preferential localization. In comparison, [{sup 123}I]2 demonstrated on average a higher brain uptake at 5 min (0.5%ID/g). However the distribution of radioactivity was homogenous and cleared to levels similar to [{sup 123}I]1 at 1 hr post-injection. Pre-administration of citalopram failed to show any significant inhibition of [{sup 123}I]2 uptake in the rat brain. The high lipophilicity of 1 and 2 (HPLC-derived log P{sub 7.4} values of 6.41 and 4.25 respectively) and in vivo metabolism, seen by high thyroid uptake would explain the absence of any specific binding observed in the rat brain. In view of these results [{sup 123}I]1 and [{sup 123}I]2 do not appear to be suitable radioligands for in vivo studies of the SERT.

  12. Analysis of electrocautery generated smoke by chromatographic-mass spectrometry.

    Science.gov (United States)

    Kalil, Jefferson; Pessine, Francisco B T; Fidelis, Carlos H V; Menezes, Fabio H; Palma, Paulo Cesar Rodrigues

    2016-01-01

    to analyze the chemical components of the smoke from electrocautery from coagulating muscle and liver tissues of pigs. we collected smoke produced by electrocautery applied to porcine tissue in previously evacuated bottles, with qualitative and quantitative analysis of the compounds present through the hyphenated technique gas chromatography / mass spectrometry. there was a majority of decanal aldehyde in the fumes from the subcutaneous, muscle and liver tissues. Fumes of subcutaneous and muscular tissues also showed the presence of hexanal and phenol. In the fumes of subcutaneous and liver tissues we also found toluene and limonene and, finally, nonanal smoke was present in the muscle and liver tissues. there is increasing evidence showing that smoke from electrocautery used in subcutaneous, muscle and liver tissue is harmful to human health. Thus, there is need to reduce exposure to it or wear masks with filters capable of retaining these particles. analisar quimicamente os componentes da fumaça do eletrocautério, provenientes da coagulação de tecidos, muscular e hepático de suino. coleta de fumaça produzida por eletrocauterização de tecido porcino em frascos previamente evacuados com análise qualitativa e quantitativa dos compostos presentes, através de técnica hifenada, cromatografia a gás/espectrometria de massas. houve presença majoritária do aldeído decanal nas fumaças provenientes dos tecidos subcutâneo, muscular e hepático. Fumaças dos tecidos subcutâneo e muscular mostraram também a presença de hexanal e fenol. Nas fumaças dos tecidos subcutâneo e hepático foram encontrados ainda tolueno e limoneno e, por fim, nonanal estava presente nas fumaças dos tecidos muscular e hepático. há número crescente de evidências mostrando que fumaça proveniente de eletrocauterização de tecidos subcutâneo, muscular e hepático é nociva à saúde de seres humanos. Portanto, há necessidade de reduzir a exposição a ela ou usar máscara com

  13. Understanding the mechanical and acoustical characteristics of sand aggregates compacting under triaxial conditions

    Science.gov (United States)

    Hangx, Suzanne; Brantut, Nicolas

    2016-04-01

    Mechanisms such as grain rearrangement, coupled with elastic deformation, grain breakage, grain rearrangement, grain rotation, and intergranular sliding, play a key role in determining porosity and permeability reduction during burial of clastic sediments. Similarly, in poorly consolidated, highly porous sands and sandstones, grain rotation, intergranular sliding, grain failure, and pore collapse often lead to significant reduction in porosity through the development of compaction bands, with the reduced porosity and permeability of such bands producing natural barriers to flow within reservoir rocks. Such time-independent compaction processes operating in highly porous water- and hydrocarbon-bearing clastic reservoirs can exert important controls on production-related reservoir deformation, subsidence, and induced seismicity. We performed triaxial compression experiments on sand aggregates consisting of well-rounded Ottawa sand (d = 300-400 μm; φ = 36.1-36.4%) at room temperature, to systematically investigate the effect of confining pressure (Pceff = 5-100 MPa), strain rate (10-6-10-4 s-1) and chemical environment (decane vs. water; Pf = 5 MPa) on compaction. For a limited number of experiments grain size distribution (d = 180-500 μm) and grain shape (subangular Beaujean sand; d = 180-300 μm) were varied to study their effect. Acoustic emission statistics and location, combined with microstructural and grain size analysis, were used to verify the operating microphysical compaction mechanisms. All tests showed significant pre-compaction during the initial hydrostatic (set-up) phase, with quasi-elastic loading behaviour accompanied by permanent deformation during the differential loading stage. This permanent volumetric strain involved elastic grain contact distortion, particle rearrangement, and grain failure. From the acoustic data and grain size analysis, it was evident that at low confining pressure grain rearrangement controlled compaction, with grain

  14. Energy Efficient Catalytic Activation of Hydrogen peroxide for Green Chemical Processes: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Collins, Terrence J.; Horwitz, Colin

    2004-11-12

    (octane or decane) at low temperature and ambient pressure via treatment with a TAML activator and hydrogen peroxide in a two-phase system consisting of the fuel as the first phase and a water/tertiary butanol second phase. The DBTs are oxidized to sulphones (or sulfoxides), which then completely extract into the water/t-butanol phase. Treatment of commercial diesel spiked with DBT under the same conditions results in compete DBT oxidation. In contrast with the octane and decane experiments, removal to the water/t-butanol phase is not yet complete and is being further optimized. Analysis by the sulfur specific GC-FPD technique suggests that >70% sulfur compounds are removed from unspiked diesel after one treatment. Further treatments are being investigated. The GC-FPD results will be checked by total sulfur analysis methodology.

  15. Comportement en vapocraquage de molécules modèles et de distillats sous vide hydrotraités. Deuxième partie : pyrolyse de molécules modèles représentatives des distillats sous vide bruts et hydrotraités Steam-Cracking Behavior of Model Molecules and Hydrotreated Vacuum Distillates Part Two: Pyrolysis of Model Molecules Representative of Unprocessed and Hydrotreated Vacuum Distillates

    Directory of Open Access Journals (Sweden)

    Freund E.

    2006-11-01

    Full Text Available La pyrolyse de molécules modèles a permis sur la base d'écarts de rendements obtenus entre le n -décane et leur mélange à 20 % avec celui-ci, l'établissement d'une échelle de potentialité de craquage présentée précédemment. L'approche des phénomènes de pyrolyse par des schémas réactionnels simplifiés est développée dans le présent article pour des molécules modèles, exemples de chaque grande famille susceptible de constituer le distillat sous vide : le perhydrophénanthrène pour les naphtènes lourds, l'octahydrophénanthrène symétrique pour les naphténoaromatiques, le naphtalène et l'alpha méthylnaphtalène pour les aromatiques méthylés ou non, le dodécylbenzène pour les aromatiques substitués par une longue chaîne aliphatique. Le cas de l'acénaphtylène a été examiné à part. On the basis of differences in yields obtained between n-decane and a 20% mixture of model molecules with n-decane, the pyrolysis of model molecules was used to determine a cracking potentiality scale that was previous described. The present article describes the approach to pyrolysis phenomena by simplified reaction mechanisms for model molecules taken from each major family liable to make up vacuum distillate, i. e. perhydrophenanthrene for heavy naphthenes, symmetrical octahydrophenanthrene for naphthenoaromatics, naphthalene and alpha-methynaphthalene for methylated or nonmethylated aromatics, dodecylbenzene for aromatics substituted for by a long aliphatic chain. The case of acenaphthylene is examined separately.

  16. J-aggregation, its impact on excited state dynamics and unique solvent effects on macroscopic assembly of a core-substituted naphthalenediimide

    KAUST Repository

    Kar, Haridas; Gehrig, Dominik W.; Laquai, Fré dé ric; Ghosh, Suhrit

    2015-01-01

    Herein we reveal a straightforward supramolecular design for the H-bonding driven J-aggregation of an amine-substituted cNDI in aliphatic hydrocarbons. Transient absorption spectroscopy reveals sub-ps intramolecular electron transfer in isolated NDI molecules in a THF solution followed by a fast recombination process, while a remarkable extension of the excited state lifetime by more than one order of magnitude occurred in methylcyclohexane likely owing to an increased charge-separation as a result of better delocalization of the charge-separated states in J-aggregates. We also describe unique solvent-effects on the macroscopic structure and morphology. While J-aggregation with similar photophysical characteristics was noticed in all the tested aliphatic hydrocarbons, the morphology strongly depends on the “structure” of the solvents. In linear hydrocarbons (n-hexane, n-octane, n-decane or n-dodecane), formation of an entangled fibrillar network leads to macroscopic gelation while in cyclic hydrocarbons (methylcyclohexane or cyclohexane) although having a similar polarity, the cNDI exhibits nanoscale spherical particles. These unprecedented solvent effects were rationalized by establishing structure-dependent specific interactions of the solvent molecules with the cNDI which may serve as a general guideline for solvent-induced morphology-control of structurally related self-assembled materials.

  17. Characterization of Cr/Bentonite and HZSM-5 Zeolite as Catalysts for Ethanol Conversion to Biogasoline

    Directory of Open Access Journals (Sweden)

    Robert Ronal Widjaya

    2012-04-01

    Full Text Available In this research it has been done characterization on Cr/Bentonit and Zeolit HZSM-5 catalysts for ethanol catalytic process to biogasoline (equal to gasoline. Cr/Bentonit has high acidity and resistant to a lot of moisture, so in addition to being able to processing feed which a lot of moisture (>15% from ethanol-water mixture, also it is not easy deactivated. Cr/Bentonit which is then used as the catalyst material on the process of ethanol conversion to be biogasoline and the result was compared with catalyst HZSM-5 zeolite. Several characterization methods: X-ray diffraction, Brunauer Emmett Teller (BET, thermogravimetry analysis (TGA, and catalyst activity tests using catalytic Muffler instrument and gas chromatography-mass spectrometry (GC-MS for product analysis were performed on both catalysts. From acidity measurement, it is known that acidity level of Cr/Bentonit is the highest and also from XRD result, it is known there is shift for 2theta in Cr/Bentonit, which indicates that Cr-pillar in the Bentonite can have interaction. It is also supported by BET data that shows the addition of specific surface are in Cr/Bentonite compared with natural Bentonite before pillarization. Futhermore catalyst activity test produced the results, analyzed by GC-MS, identified as butanol and also possibly formed hexanol, decane, dodecane, undecane, which are all included in gasoline range (C4 until C12.

  18. Chemical kinetics of low and high temperature oxidation of reference fuels and of some additives at up to 40 bars; Cinetique chimique de l`oxydation de basse et haute temperature de combustibles de reference et de certains additifs jusqu`a 40 bars

    Energy Technology Data Exchange (ETDEWEB)

    Cathonnet, M.; Dagaut, Ph.; Reuillon, M.; Voisin, D. [Centre National de la Recherche Scientifique (CNRS), 45 - Orleans-la-Source (France). Laboratoire de Combustion et Systemes Reactifs

    1996-12-31

    A study of the oxidation of reference fuels for controlled ignition engines (n-heptane and iso-octane) and for turbojet engines (n-decane and TR0 kerosene) has been carried out in a self-agitated engine using gas jets at 1 to 40 bars and 550 to 1250 deg. K. Experimental results obtained have been used to propose a detailed kinetics mechanism for kerosene combustion. The study of the oxidation of oxygenated additives used in petrol (MTBE, ETBE, TAME, DIPE) and of the oxidation of a diesel substitute (DME) has been carried out in a self-agitated engine using gas jets at 1 to 10 bars and 800 to 1275 deg. K. These studies indicate that the oxidation of ether-type additives (MTBE, ETBE, TAME, DIPE) produces important oxygenated intermediates which are potential pollutants: formaldehyde, acetaldehyde, acrolein, and meth-acrolein. Butadiene and isoprene concentrations have been measured too. However, DME does not produce higher compounds but formaldehyde is one of its main oxidation intermediates. Chemical mechanisms leading to the formation of these pollutants are included in the proposed combustion models. (J.S.)

  19. Contact angle and detachment energy of shape anisotropic particles at fluid-fluid interfaces.

    Science.gov (United States)

    Anjali, Thriveni G; Basavaraj, Madivala G

    2016-09-15

    The three phase contact angle of particles, a measure of its wettability, is an important factor that greatly influences their behaviour at interfaces. It is one of the principal design parameters for potential applications of particles as emulsion/foam stabilizers, functional coatings and other novel materials. In the present work, the effect of size, shape and surface chemistry of particles on their contact angle is investigated using the gel trapping technique, which facilitates the direct visualization of the equilibrium position of particles at interfaces. The contact angle of hematite particles of spherocylindrical, peanut and cuboidal shapes, hematite-silica core-shell and silica shells is reported at a single particle level. The spherocylindrical and peanut shaped particles are always positioned with their major axis parallel to the interface. However, for cuboidal particles at air-water as well as decane-water interfaces, different orientations namely - face-up, edge-up and the vertex-up - are observed. The influence of gravity on the equilibrium position of the colloidal particles at the interface is studied using the hematite-silica core-shell particles and the silica shells. The measured contact angle values are utilized in the calculations of the detachment and surface energies of the hematite particles adsorbed at the interface. Copyright © 2016 Elsevier Inc. All rights reserved.

  20. Biofiltration of airborne VOCs with green wall systems-Microbial and chemical dynamics.

    Science.gov (United States)

    Mikkonen, A; Li, T; Vesala, M; Saarenheimo, J; Ahonen, V; Kärenlampi, S; Blande, J D; Tiirola, M; Tervahauta, A

    2018-05-06

    Botanical air filtration is a promising technology for reducing indoor air contaminants, but the underlying mechanisms need better understanding. Here, we made a set of chamber fumigation experiments of up to 16 weeks of duration, to study the filtration efficiencies for seven volatile organic compounds (VOCs; decane, toluene, 2-ethylhexanol, α-pinene, octane, benzene, and xylene) and to monitor microbial dynamics in simulated green wall systems. Biofiltration functioned on sub-ppm VOC levels without concentration-dependence. Airflow through the growth medium was needed for efficient removal of chemically diverse VOCs, and the use of optimized commercial growth medium further improved the efficiency compared with soil and Leca granules. Experimental green wall simulations using these components were immediately effective, indicating that initial VOC removal was largely abiotic. Golden pothos plants had a small additional positive impact on VOC filtration and bacterial diversity in the green wall system. Proteobacteria dominated the microbiota of rhizosphere and irrigation water. Airborne VOCs shaped the microbial communities, enriching potential VOC-utilizing bacteria (especially Nevskiaceae and Patulibacteraceae) in the irrigation water, where much of the VOC degradation capacity of the biofiltration systems resided. These results clearly show the benefits of active air circulation and optimized growth media in modern green wall systems. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  1. Dynamic light scattering of nano-gels of xanthan gum biopolymer in colloidal dispersion

    Directory of Open Access Journals (Sweden)

    Abbas Rahdar

    2016-09-01

    Full Text Available The dynamical properties of nanogels of xanthan gum (XG with hydrodynamic radius controlled in a size range from 5 nm to 35 nm, were studied at the different XG concentrations in water/sodium bis-2-ethylhexyl-sulfosuccinate (AOT/decane reverse micelles (RMs vs. mass fraction of nano-droplet (MFD at W = 40, using dynamic light scattering (DLS. The diffusion study of nanometer-sized droplets by DLS technique indicated that enhancing concentration of the XG polysaccharide resulted in exchanging the attractive interaction between nano-gels to repulsive interaction, as the mass fraction of nano-droplets increased. The reorientation time (τr of water nanodroplets decreased with MFD for water-in-oil AOT micro-emulsion comprising high concentration (0.0000625 of XG. On the other hand, decreasing concentration of biopolymer led to increasing the rotational correlation time of water nanodroplets with MFD. In conclusion, a single relaxation curve was observed for AOT inverse microemulsions containing different XG concentrations. Furthermore, the interaction between nanogels was changed from attractive to repulsive versus concentration of XG in the AOT RMs.

  2. Phytochemical, sensory attributes and aroma stability of dense phase carbon dioxide processed Hibiscus sabdariffa beverage during storage.

    Science.gov (United States)

    Ramírez-Rodrigues, Milena M; Plaza, Maria L; Azeredo, Alberto; Balaban, Murat O; Marshall, Maurice R

    2012-10-01

    The effect of dense phase carbon dioxide (DPCD) processing (34.5 MPa, 8% CO₂, 6.5 min, and 40 °C) on phytochemical, sensory and aroma compounds of hibiscus beverage was compared to a conventional thermal process (HTST) (75 °C for 15 s) and a control (untreated beverage) during refrigerated storage (4 °C). The overall likeability of the hibiscus beverage for all treatments was not affected by storage up to week 5. DPCD process retained more aroma volatiles as compared to HTST. Aroma profiles in the beverages were mainly composed of alcohols and aldehydes with 1-octen-3-ol, decanal, octanal, 1-hexanol, and nonanal as the compounds with the highest relative percentage peak areas. A loss of only 9% anthocyanins was observed for the DPCD processed hibiscus beverage. Phytochemical profiles in the hibiscus beverage included caffeoylquinic acids, anthocyanins, and flavonols. No major changes in total phenolics and antioxidant capacity occurred during the 14 weeks of storage. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. Influence of pulsed electric field treatments on the volatile compounds of milk in comparison with pasteurized processing.

    Science.gov (United States)

    Zhang, Sha; Yang, Ruijin; Zhao, Wei; Hua, Xiao; Zhang, Wenbin; Zhang, Zhong

    2011-01-01

    Effects of pulsed electric field (PEF) treatments on the volatile profiles of milk were studied and compared with pasteurized treatment of high temperature short time (HTST) (75 °C, 15 s). Volatile compounds were extracted by solid-phase micro-extraction (SPME) and identified by gas chromatography/mass spectrometry (GC-MS) and gas chromatography-olfactometry (GC-O). A total of 37 volatile compounds were determined by GC-MS, and 19 volatile compounds were considered to be major contributors to the characteristic flavor of milk samples. PEF treatment resulted in an increase in aldehydes. Milk treated with PEF at 30 kV/cm showed the highest content of pentanal, hexanal, and nonanal, while heptanal and decanal contents were lower than in pasteurized milk, but higher than in raw milk. All the methyl ketones detected in PEF milk were lower than in pasteurized milk. No significant differences in acids (acetic acid, butanoic acid, hexanoic acid, octanoic acid, and decanoic acid), lactones, and alcohols were observed between pasteurized and PEF-treated samples; however, 2(5H)-furanone was only detected in PEF-treated milk. Although GC-MS results showed that there were some volatile differences between pasteurized and PEF-treated milk, GC-O data showed no significant difference between the 2 samples.

  4. Size and spatial distribution of micropores in SBA-15 using CM-SANS

    International Nuclear Information System (INIS)

    Pollock, Rachel A.; Walsh, Brenna R.; Fry, Jason A.; Ghampson, Tyrone; Centikol, Ozgul; Melnichenko, Yuri B.; Kaiser, Helmut; Pynn, Roger; Frederick, Brian G.

    2011-01-01

    Diffraction intensity analysis of small-angle neutron scattering measurements of dry SBA-15 have been combined with nonlocal density functional theory (NLDFT) analysis of nitrogen desorption isotherms to characterize the micropore, secondary mesopore, and primary mesopore structure. The radial dependence of the scattering length density, which is sensitive to isolated surface hydroxyls, can only be modeled if the NLDFT pore size distribution is distributed relatively uniformly throughout the silica framework, not localized in a 'corona' around the primary mesopores. Contrast matching-small angle neutron scattering (CM-SANS) measurements, using water, decane, tributylamine, cyclohexane, and isooctane as direct probes of the size of micropores indicate that the smallest pores in SBA-15 have diameter between 5.7 and 6.2 (angstrom). Correlation of the minimum pore size with the onset of the micropore size distribution provides direct evidence that the shape of the smallest micropores is cylinderlike, which is consistent with their being due to unraveling of the polymer template.

  5. Ion permeability of artificial membranes evaluated by diffusion potential and electrical resistance measurements.

    Science.gov (United States)

    Shlyonsky, Vadim

    2013-12-01

    In the present article, a novel model of artificial membranes that provides efficient assistance in teaching the origins of diffusion potentials is proposed. These membranes are made of polycarbonate filters fixed to 12-mm plastic rings and then saturated with a mixture of creosol and n-decane. The electrical resistance and potential difference across these membranes can be easily measured using a low-cost volt-ohm meter and home-made Ag/AgCl electrodes. The advantage of the model is the lack of ionic selectivity of the membrane, which can be modified by the introduction of different ionophores to the organic liquid mixture. A membrane treated with the mixture containing valinomycin generates voltages from -53 to -25 mV in the presence of a 10-fold KCl gradient (in to out) and from -79 to -53 mV in the presence of a bi-ionic KCl/NaCl gradient (in to out). This latter bi-ionic gradient potential reverses to a value from +9 to +20 mV when monensin is present in the organic liquid mixture. Thus, the model can be build stepwise, i.e., all factors leading to the development of diffusion potentials can be introduced sequentially, helping students to understand the quantitative relationships of ionic gradients and differential membrane permeability in the generation of cell electrical signals.

  6. Aroma Volatile Compounds from Two Fresh Pineapple Varieties in China

    Directory of Open Access Journals (Sweden)

    Chang-Bin Wei

    2012-06-01

    Full Text Available Volatile compounds from two pineapples varieties (Tainong No.4 and No.6 were isolated by headspace solid phase microextraction (HS-SPME and identified and quantified by gas chromatography-mass spectrometry (GC/MS. In the Tainong No. 4 and No. 6 pineapples, a total of 11 and 28 volatile compounds were identified according to their retention time on capillary columns and their mass spectra, and quantified with total concentrations of 1080.44 µg·kg−1 and 380.66 µg·kg−1 in the Tainong No.4 and No. 6 pineapples, respectively. The odor active values (OAVs of volatile compounds from pineapples were also calculated. According to the OAVs, four compounds were defined as the characteristic aroma compounds for the Tainong No. 4 pineapple, including furaneol, 3-(methylthiopropanoic acid methyl ester, 3-(methylthiopropanoic acid ethyl ester and δ-octalactone. The OAVs of five compounds including ethyl-2-methylbutyrate, methyl-2-methylbutyrate, 3-(methylthiopropanoic acid ethyl ester, ethyl hexanoate and decanal were considered to be the characteristic aroma compounds for the Tainong No. 6 pineapple.

  7. Cool-flame Extinction During N-Alkane Droplet Combustion in Microgravity

    Science.gov (United States)

    Nayagam, Vedha; Dietrich, Daniel L.; Hicks, Michael C.; Williams, Forman A.

    2014-01-01

    Recent droplet combustion experiments onboard the International Space Station (ISS) have revealed that large n-alkane droplets can continue to burn quasi-steadily following radiative extinction in a low-temperature regime, characterized by negative-temperaturecoefficient (NTC) chemistry. In this study we report experimental observations of n-heptane, n-octane, and n-decane droplets of varying initial sizes burning in oxygen/nitrogen/carbon dioxide and oxygen/helium/nitrogen environments at 1.0, 0.7, and 0.5 atmospheric pressures. The oxygen concentration in these tests varied in the range of 14% to 25% by volume. Large n-alkane droplets exhibited quasi-steady low-temperature burning and extinction following radiative extinction of the visible flame while smaller droplets burned to completion or disruptively extinguished. A vapor-cloud formed in most cases slightly prior to or following the "cool flame" extinction. Results for droplet burning rates in both the hot-flame and cool-flame regimes as well as droplet extinction diameters at the end of each stage are presented. Time histories of radiant emission from the droplet captured using broadband radiometers are also presented. Remarkably the "cool flame" extinction diameters for all the three n-alkanes follow a trend reminiscent of the ignition delay times observed in previous studies. The similarities and differences among the n-alkanes during "cool flame" combustion are discussed using simplified theoretical models of the phenomenon

  8. Spectroscopic analyses on interaction of Amantadine-Salicylaldehyde, Amantadine-5-Chloro-Salicylaldehyde and Amantadine-o-Vanillin Schiff-Bases with bovine serum albumin (BSA)

    Science.gov (United States)

    Wang, Zhiqiu; Gao, Jingqun; Wang, Jun; Jin, Xudong; Zou, Mingming; Li, Kai; Kang, Pingli

    2011-12-01

    In this work, three Tricyclo [3.3.1.1(3,7)] decane-1-amine (Amantadine) Schiff-Bases, Amantadine-Salicylaldehyde (AS), Amantadine-5-Chloro-Salicylaldehyde (AS-5-C) and Amantadine-o-Vanillin (AS-o-V), were synthesized by direct heating reflux method in ethanol solution and characterized by infrared spectrum and elementary analysis. Fluorescence quenching was used to study the interaction of these Amantadine Schiff-Bases (AS, AS-5-C and AS-o-V) with bovine serum albumin (BSA). According to fluorescence quenching calculations the bimolecular quenching constant ( Kq), apparent quenching constant ( KSV), effective binding constant ( KA) and corresponding dissociation constant ( KD), binding site number ( n) and binding distance ( r) were obtained. The results show that these Amantadine Schiff-Bases can obviously bind to BSA molecules and the binding strength order is AS < AS-5-C = AS-o-V. Synchronous fluorescence spectroscopy reveals that these Amantadine Schiff-Bases adopt different way to bind with BSA molecules. That is, the AS and AS-5-C are accessibility to tryptophan (Trp) residues more than the tyrosine (Tyr) residues, while the AS-o-V is equally close to the Tyr and Trp residues.

  9. Development of Separation Process for Minor Actinides Using TDdDGA and New Extractants

    International Nuclear Information System (INIS)

    Matsumura, T.; Tsubata, Y.

    2015-01-01

    Full text of publication follows: Separation process for minor actinides (MA = Am, Cm and Np) has been developed at Japan Atomic Energy Agency using new innovative extractants to improve the partitioning process from the viewpoints of the economy and the reduction of secondary wastes. Phosphorus-free compounds consisting of carbon, hydrogen, oxygen and nitrogen (CHON principle) were applied to the separation steps for MA. At the first step, MA and lanthanide elements (Ln) are recovered from high-level liquid waste by solvent extraction with N,N,N',N'-tetra-dodecyl-diglycolamide (TDdDGA). Trivalent actinides Am and Cm, are separated from RE at the next step by solvent extraction using podand type soft-donor extractant such as N,N,N',N'- tetrakis(pyridin-2-ylmethyl)- decane-1,2-diamine (TPDN) or hybrid type extractant such as N-octyl-N-(ptolyl)- 1,10-phenanthroline-2-carboxamide (OctTolPTA). This paper presents the current status of the research and development programme. This study is carried out under the Innovative Nuclear Research and Development Programme by the Ministry of Education, Culture, Sports, Science and Technology of Japan. (authors)

  10. Citrus medica: nutritional, phytochemical composition and health benefits - a review.

    Science.gov (United States)

    Chhikara, Navnidhi; Kour, Ragni; Jaglan, Sundeep; Gupta, Pawan; Gat, Yogesh; Panghal, Anil

    2018-04-25

    Citrus medica (Citron) is an underutilized fruit plant having various bioactive components in all parts of the plant. The major bioactive compounds present are iso-limonene, citral, limonene, phenolics, flavonones, vitamin C, pectin, linalool, decanal, and nonanal, accounting for several health benefits. Pectin and heteropolysachharides also play a major role as dietary fibers. The potential impact of citron and its bioactive components to prevent or reverse destructive deregulated processes responsible for certain diseases has attracted different researchers' attention. The fruit has numerous nutraceutical benefits, proven by pharmacological studies; for example, anti-catarrhal, capillary protector, anti-hypertensive, diuretic, antibacterial, antifungal, anthelmintic, antimicrobial, analgesic, strong antioxidant, anticancerous, antidiabetic, estrogenic, antiulcer, cardioprotective, and antihyperglycemic. The present review explores new insights into the benefits of citron in various body parts. Throughout the world, citron has been used in making carbonated drinks, alcoholic beverages, syrup, candied peels, jams, marmalade, cordials, and many other value added products, which suggests it is an appropriate raw material to develop healthy processed food. In the present review, the fruit taxonomical classification, beneficial phytochemicals, antioxidant activities, and health benefits are discussed.

  11. Physical properties of {anisole + n-alkanes} at temperatures between (293.15 and 303.15) K

    International Nuclear Information System (INIS)

    Al-Jimaz, Adel S.; Al-Kandary, Jasem A.; Abdul-latif, Abdul-Haq M.; Al-Zanki, Adnan M.

    2005-01-01

    Density ρ, viscosity η, and refractive index n D , values of {anisole + hexane, or heptane, or octane, or nonane, or decane, or dodecane} binary mixtures over the entire range of mole fraction at temperatures (293.15, 298.15, and 303.15) K, have been investigated at atmospheric pressure. The excess molar volume V E , has been calculated from the experimental measurements. These results were fitted to Redlich and Kister polynomial equation to estimate the binary interaction parameters. The viscosity data were correlated with equations of Grunberg and Nissan, and McAllister. The refractive indices data were used to calculate the specific refractivity R 12 , and also correlated with Lorentz-Lorenz equation. While the excess molar volumes of {anisole + hexane} are negative, and {anisole + heptane} are sigmoidal S-shaped, the remaining binary mixtures are positive. The effects of n-alkanes chain length as well as the temperature on the excess molar volume have been studied. The calculated values have been qualitatively used to explain the intermolecular interaction between the mixing components

  12. Study of densities, viscosities, and speeds of sound of binary liquid mixtures of butan-1-ol with n-alkanes (C6, C8, and C10) at T = (298.15, 303.15, and 308.15) K

    International Nuclear Information System (INIS)

    Dubey, Gyan Prakash; Sharma, Monika; Dubey, Neelima

    2008-01-01

    The densities (ρ) and speeds of sound (u) have been measured over the whole composition range for (butan-1-ol with hexane, or octane, or decane) at T = (298.15, 303.15, and 308.15) K and atmospheric pressure along with the properties of the pure components. Viscosities (η) of these binary mixtures have also been measured over the entire composition range at T 298.15 K. Experimental values of density, viscosity and speed of sound have been used to evaluate excess properties viz. excess molar volumes (V E ), deviation in viscosity (Δη), deviation in speeds of sound (Δu), deviation in isentropic compressibility (Δκ s ) and excess Gibbs free energy of activation of viscous flow (ΔG *E ). The excess properties have been correlated using the Redlich-Kister polynomial equation. The sign and magnitude of these excess properties have been used to interpret the results in terms of intermolecular interactions and structural effects. The viscosity data have also been correlated by Grunberg and Nissan, Tamura-Kurata, and Hind correlation equations

  13. Urinary volatile organic compounds as potential biomarkers for renal cell carcinoma

    Science.gov (United States)

    WANG, DONGCHUN; WANG, CHANGSONG; PI, XIN; GUO, LEI; WANG, YUE; LI, MINGJUAN; FENG, YUE; LIN, ZIWEI; HOU, WEI; LI, ENYOU

    2016-01-01

    Currently, there is no adequate, sensitive, reproducible, specific and noninvasive biomarker that can reliably be used to detect renal cell carcinoma (RCC). Previous studies have elucidated the urinary non-volatile metabolic profile of RCC. However, whether urinary volatile organic compound (VOC) profiles are able to identify RCC remains to be elucidated. In the present study, urine was collected from 22 patients with RCC and 25 healthy subjects. Principal component analysis and orthogonal partial least square discriminant analysis were used to compare the data of patients and healthy subjects, and preoperative and postoperative patients undergoing radical nephrectomy. In total, 11 VOC biomarkers were elevated in the RCC patients compared to the healthy subjects, which were phenol; decanal; 1,6-dioxacyclododecane-7,12-dione; 1-bromo-1-(3-methyl-1-pentenylidene)-2,2,3,3-tetramethyl-cyclopropane; nonanal; 3-ethyl-3-methylheptane; isolongifolene-5-ol; 2,5-cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl); tetradecane; aniline; and 2,6,10,14-tetramethyl-pentadecane. Three biomarkers were decreased in RCC patients: styrene, 4-heptanone and dimethylsilanediol. In preoperative patients, 2-ethyl-1-hexanol and cyclohexanone were elevated, while 6-t-butyl-2,2,9,9-tetramethyl-3,5-decadien-7-yne were decreased when compared to postoperative patients. Compared with the healthy subjects, RCC has a unique VOC profile, suggesting that VOC profiles may be a useful diagnostic assay for RCC. PMID:27347408

  14. Highly Viscoelastic Reverse Wormlike Micellar Systems from a Mixture of Lecithin, Polyglycerol Fatty Acid Monoesters, and an Oil.

    Science.gov (United States)

    Hashizaki, Kaname; Imai, Miko; Yako, Shuhei; Tsusaka, Hitomi; Sakanishi, Yuichi; Saito, Yoshihiro; Fujii, Makiko

    2017-09-01

    We report new lecithin reverse wormlike micelles with high viscoelasticity formed using lecithin/polyglycerol fatty acid monoester (PGLFA)/oil systems. In this study, the influence of the amphiphilicity (i.e., hydrophile-lipophile balance, HLB) of PGLFA on the phase behavior and rheological properties of reverse wormlike micelles was investigated in detail. PGLFAs with degrees of polymerization of polyglycerol varying between 6-40 and constituent fatty acids with chains between 6-18 carbon atoms long were used. Partial phase diagrams of the lecithin/PGLFA/n-decane systems indicated that the appropriate PGLFA could change the lecithin/oil solution into a highly viscoelastic solution comprising reverse wormlike micelles. Rheological measurements showed that all systems that formed reverse wormlike micelles exhibited an unusual phenomenon called "shear-thickening". Furthermore, reverse wormlike micelles grew as the PGLFA concentration increased and the zero-shear viscosity (η 0 ) of the solution rapidly increased. Our results indicate that the magnitude of the maximum η 0 depends on the degree of polymerization of the constituent polyglycerol in the PGLFA, while the size of the reverse micellar region and the highly viscous region in the phase diagram depends on the HLB value of the PGLFA.

  15. Molecular interactions between lecithin and bile salts/acids in oils and their effects on reverse micellization.

    Science.gov (United States)

    Njauw, Ching-Wei; Cheng, Chih-Yang; Ivanov, Viktor A; Khokhlov, Alexei R; Tung, Shih-Huang

    2013-03-26

    It has been known that the addition of bile salts to lecithin organosols induces the formation of reverse wormlike micelles and that the worms are similar to long polymer chains that entangle each other to form viscoelastic solutions. In this study, we further investigated the effects of different bile salts and bile acids on the growth of lecithin reverse worms in cyclohexane and n-decane. We utilized rheological and small-angle scattering techniques to analyze the properties and structures of the reverse micelles. All of the bile salts can transform the originally spherical lecithin reverse micelles into wormlike micelles and their rheological behaviors can be described by the single-relaxation-time Maxwell model. However, their efficiencies to induce the worms are different. In contrast, before phase separation, bile acids can induce only short cylindrical micelles that are not long enough to impart viscoelasticity. We used Fourier transform infrared spectroscopy to investigate the interactions between lecithin and bile salts/acids and found that different bile salts/acids employ different functional groups to form hydrogen bonds with lecithin. Such effects determine the relative positions of the bile salts/acids in the headgroups of lecithin, thus resulting in varying efficiencies to alter the effective critical packing parameter for the formation of wormlike micelles. This work highlights the importance of intermolecular interactions in molecular self-assembly.

  16. Noncatalytic hydrogenation of decene-1 with hydrogen accumulated in a hybrid carbon nanostructure in nanosized membrane reactors

    Science.gov (United States)

    Soldatov, A. P.

    2014-08-01

    Studies on the creation of nanosized membrane reactors (NMRs) of a new generation with accumulated hydrogen and a regulated volume of reaction zone were continued at the next stage. Hydrogenation was performed in the pores of ceramic membranes with hydrogen preliminarily adsorbed in mono- and multilayered orientated carbon nanotubes with graphene walls (OCNTGs)—a new hybrid carbon nanostructure formed on the inner pore surface. Quantitative determination of hydrogen adsorption in OCNTGs was performed using TRUMEM ultrafiltration membranes with D av = 50 and 90 nm and showed that hydrogen adsorption was up to ˜1.5% of the mass of OCNTG. The instrumentation and procedure for noncatalytic hydrogenation of decene-1 at 250-350°C using hydrogen accumulated and stored in OCNTG were developed. The conversion of decene-1 into decane was ˜0.2-1.8% at hydrogenation temperatures of 250 and 350°C, respectively. The rate constants and activation energy of hydrogenation were determined. The latter was found to be 94.5 kJ/mol, which is much smaller than the values typical for noncatalytic hydrogenations and very close to the values characteristic for catalytic reactions. The quantitative distribution of the reacting compounds in each pore regarded as a nanosized membrane reactor was determined. The activity of hydrogen adsorbed in a 2D carbon nanostructure was evaluated. Possible mechanisms of noncatalytic hydrogenation were discussed.

  17. Metal ion modulated ultrathin films and nanostructures of tyrosine-based bolaamphiphile at the air/water interface

    International Nuclear Information System (INIS)

    Jiao Tifeng; Cheng Caixia; Xi Fu; Liu Minghua

    2006-01-01

    Supramolecular assemblies at the air/water interface from a newly designed tyrosine-based bolaamphiphile, 1,10-bis(O-L-tyrosine)-decane (C10BT), were investigated. The compound could be spread on water surface and form organized ultrathin film. It was interesting to find that metal ions such as Ag + and Cu 2+ in the subphase can greatly modulate the molecular packing of C10BT and the morphology of the subsequently deposited Langmuir-Blodgett (LB) films. Atomic force microscopic measurements revealed that C10BT LB film from the subphase containing Ag + ion showed well-ordered layered nanofibers, while Cu 2+ ion coordinated C10BT film demonstrated dense cross-linked network. It was suggested that both the strong chelating property to the carboxylate and the different packing mode of hydrocarbon chain resulted in the distinct nanostructures. Fourier transform infrared spectra reveal the difference between the Ag-C10BT complex film and that of Cu 2+ ion, and the mechanism of the packing mode of hydrocarbon chain was discussed. Furthermore, the X-ray diffraction and X-ray photoelectron spectra also verified the orderly layer structure and the relative molar ratios compared with different metal ions. While many efforts have been devoted to manipulation of the nanostructures and functions of sophisticated bolaform amphiphiles, we provided a simple method of modulating the organization and morphology of C10BT films through metal ions

  18. A Burke-Schumann Analysis of Dual-Flame Structure Supported by a Burning Droplet

    Science.gov (United States)

    Nayagam, V.; Dietrich, D.; Williams, F. A.

    2016-01-01

    Droplet combustion experiments carried out onboard the International Space Station (ISS), using pure fuels and fuel mixtures, have shown that quasi-steady burning can be sustained by a non-traditional flame configuration, namely a "cool flame" burning in the "partial-burning" regime where both fuel and oxygen leak through the low-temperature controlled flame-sheet. Recent experiments involving large, bi-component fuel (n-decane and hexanol, 50/50 by volume) droplets at elevated pressures show that the visible, hot flame becomes extremely weak while the burning rate remains relatively high, suggesting the possibility of simultaneous presence of "cool" and "hot" flames of roughly equal importance. The radiant output from these bi-component droplets is relatively high and cannot be accounted for only by the presence of a visible hot-flame. In this analysis we explore the theoretical possibility of a dual-flame structure, where one flame lies close to the droplet surface called the "cool-flame," and other farther away from the droplet surface, termed the "hot-flame." A Burke-Schumann analysis of this dual-structure seems to indicate such flame structures are possible over a narrow range of initial conditions. Theoretical results can be compared against available experimental data for pure and bi-component fuel droplet combustion to test how realistic the model may be.

  19. Gene Expression Profiling Identifies Important Genes Affected by R2 Compound Disrupting FAK and P53 Complex

    International Nuclear Information System (INIS)

    Golubovskaya, Vita M.; Ho, Baotran; Conroy, Jeffrey; Liu, Song; Wang, Dan; Cance, William G.

    2014-01-01

    Focal Adhesion Kinase (FAK) is a non-receptor kinase that plays an important role in many cellular processes: adhesion, proliferation, invasion, angiogenesis, metastasis and survival. Recently, we have shown that Roslin 2 or R2 (1-benzyl-15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane) compound disrupts FAK and p53 proteins, activates p53 transcriptional activity, and blocks tumor growth. In this report we performed a microarray gene expression analysis of R2-treated HCT116 p53 +/+ and p53 −/− cells and detected 1484 genes that were significantly up- or down-regulated (p < 0.05) in HCT116 p53 +/+ cells but not in p53 −/− cells. Among up-regulated genes in HCT p53 +/+ cells we detected critical p53 targets: Mdm-2, Noxa-1, and RIP1. Among down-regulated genes, Met, PLK2, KIF14, BIRC2 and other genes were identified. In addition, a combination of R2 compound with M13 compound that disrupts FAK and Mmd-2 complex or R2 and Nutlin-1 that disrupts Mdm-2 and p53 decreased clonogenicity of HCT116 p53 +/+ colon cancer cells more significantly than each agent alone in a p53-dependent manner. Thus, the report detects gene expression profile in response to R2 treatment and demonstrates that the combination of drugs targeting FAK, Mdm-2, and p53 can be a novel therapy approach

  20. VOCs emission characteristics and priority control analysis based on VOCs emission inventories and ozone formation potentials in Zhoushan

    Science.gov (United States)

    Wang, Qiaoli; Li, Sujing; Dong, Minli; Li, Wei; Gao, Xiang; Ye, Rongmin; Zhang, Dongxiao

    2018-06-01

    Zhoushan is an island city with booming tourism and service industry, but also has many developed VOCs and/or NOX emission industries. It is necessary to carry out regional VOCs and O3 pollution control in Zhoushan as the only new area owns the provincial economic and social administration rights. Anthropogenic VOCs emission inventories were built based on emission factor method and main emission sources were identified according to the emission inventories. Then, localized VOCs source profiles were built based on in-site sampling and referring to other studies. Furthermore, ozone formation potentials (OFPs) profiles were built through VOCs source profiles and maximum incremental reactivity (MIR) theory. At last, the priority control analysis results showed that industrial processes, especially surface coating, are the key of VOCs and O3 control. Alkanes were the most emitted group, accounting for 58.67%, while aromatics contributed the most to ozone production accounting for 69.97% in total OFPs. n-butane, m/p-xylene, i-pentane, n-decane, toluene, propane, n-undecane, o-xylene, methyl cyclohexane and ethyl benzene were the top 10 VOC species that should be preferentially controlled for VOCs emission control. However, m/p-xylene, o-xylene, ethylene, n-butane, toluene, propene, 1,2,4-trimethyl benzene, 1,3,5-trimethyl benzene, ethyl benzene and 1,2,3-trimethyl benzene were the top 10 VOC species that required preferential control for O3 pollution control.

  1. Sample extraction and injection with a microscale preconcentrator.

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, Alex Lockwood (Advanced Sensor Technologies, Albuquerque, NM); Chan, Helena Kai Lun

    2007-09-01

    This report details the development of a microfabricated preconcentrator that functions as a fully integrated chemical extractor-injector for a microscale gas chromatograph (GC). The device enables parts-per-billion detection and quantitative analysis of volatile organic compounds (VOCs) in indoor air with size and power advantages over macro-scale systems. The 44 mm{sup 3} preconcentrator extracts VOCs using highly adsorptive, granular forms of graphitized carbon black and carbon molecular sieves. The micron-sized silicon cavities have integrated heating and temperature sensing allowing low power, yet rapid heating to thermally desorb the collected VOCs (GC injection). The keys to device construction are a new adsorbent-solvent filling technique and solvent-tolerant wafer-level silicon-gold eutectic bonding technology. The product is the first granular adsorbent preconcentrator integrated at the wafer level. Other advantages include exhaustive VOC extraction and injection peak widths an order of magnitude narrower than predecessor prototypes. A mass transfer model, the first for any microscale preconcentrator, is developed to describe both adsorption and desorption behaviors. The physically intuitive model uses implicit and explicit finite differences to numerically solve the required partial differential equations. The model is applied to the adsorption and desorption of decane at various concentrations to extract Langmuir adsorption isotherm parameters from effluent curve measurements where properties are unknown a priori.

  2. Optimized reaction mechanism rate rules for ignition of normal alkanes

    KAUST Repository

    Cai, Liming

    2016-08-11

    The increasing demand for cleaner combustion and reduced greenhouse gas emissions motivates research on the combustion of hydrocarbon fuels and their surrogates. Accurate detailed chemical kinetic models are an important prerequisite for high fidelity reacting flow simulations capable of improving combustor design and operation. The development of such models for many new fuel components and/or surrogate molecules is greatly facilitated by the application of reaction classes and rate rules. Accurate and versatile rate rules are desirable to improve the predictive accuracy of kinetic models. A major contribution in the literature is the recent work by Bugler et al. (2015), which has significantly improved rate rules and thermochemical parameters used in kinetic modeling of alkanes. In the present study, it is demonstrated that rate rules can be used and consistently optimized for a set of normal alkanes including n-heptane, n-octane, n-nonane, n-decane, and n-undecane, thereby improving the predictive accuracy for all the considered fuels. A Bayesian framework is applied in the calibration of the rate rules. The optimized rate rules are subsequently applied to generate a mechanism for n-dodecane, which was not part of the training set for the optimized rate rules. The developed mechanism shows accurate predictions compared with published well-validated mechanisms for a wide range of conditions.

  3. Up to date review of toxicological data of some point volatiles with antifungal activity

    Energy Technology Data Exchange (ETDEWEB)

    Bonsi, P; Stammati, A [eds.; Istituto Superiore di Sanita' , Rome (Italy). Lab. di Tossicologia Comparata ed Ecotossicologia; De Vincenzi, M [Istituto Superiore di Sanita' , Rome (Italy). Lab. di Metabolismo e Biochimica Patologica; Zucco, F [Consiglio Nazionale delle Ricerche, Rome (Italy). Ist. di Tecnologie Biomediche

    1999-07-01

    Toxicological cards of the essential oil caraway and ten volatiles compounds components of essential oils, all with fungicide activity, are presented; carvacrol, D-carvone, cinnamaldehyde, 1,8-cineole, p-cymene, decanal, eugenol, 2-hexenal, linalool and thymol. The cards have been prepared in the context of the European Community project FAIR1-CT95-0722, which has the aim of implementing the use of natural pesticides for plant protection during cultivation and storage. Literature data have been collected from 1980, screening different archives (BIOSIS, CAB, CHEMABS, RTECS, MEDLINE) and Council of Europe classifications. [Italian] Il rapporto contiene le schede tossicologiche di un olio essenziale (caraway oil) e di dieci sostanze volatili, componenti di olii essenziali e tutti con attivita' fungicida: carvacrol, D-carvone, cinnamaldehyde, 1, 8-cineole, p-cymene, decanol, eugenol, 2-hexenal, linaool e thymol. Le schede sono state preparate nell'ambito del progetto europeo FAIR1-CT95-0722, che ha lo scopo di sviluppare l'uso di fungicidi naturali per la protezione delle piante durante la coltivazione e lo stoccaggio. Sono stati raccolti i dati della letteratura dal 1980 ad oggi, consultando diversi archivi (BIOSIS, CAB, CHEMABS, RTECS, MEDLINE) e le classificazioni del Consiglio d'Europa.

  4. 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

  5. Agent orange herbicides, organophosphate and triazinic pesticides analysis in olive oil and industrial oil mill waste effluents using new organic phase immunosensors.

    Science.gov (United States)

    Martini, Elisabetta; Merola, Giovanni; Tomassetti, Mauro; Campanella, Luigi

    2015-02-15

    New immunosensors working in organic solvent mixtures (OPIEs) for the analysis of traces of different pesticides (triazinic, organophosphates and chlorurates) present in hydrophobic matrices such as olive oil were developed and tested. A Clark electrode was used as transducer and peroxidase enzyme as marker. The competitive process took place in a chloroform-hexane 50% (V/V) mixture, while the subsequent enzymatic final measurement was performed in decane and using tert-butylhydroperoxide as substrate of the enzymatic reaction. A linear response of between about 10nM and 5.0μM was usually obtained in the presence of olive oil. Recovery tests were carried out in commercial or artisanal extra virgin olive oil. Traces of pesticides were also checked in the oily matrix, in pomace and mill wastewaters from an industrial oil mill. Immunosensors show good selectivity and satisfactory precision and recovery tests performed in olive oil gave excellent results. Copyright © 2014 Elsevier Ltd. All rights reserved.

  6. Monoterpene synthase from Dracocephalum kotschyi and SPME-GC-MS analysis of its aroma profile

    Directory of Open Access Journals (Sweden)

    S. Saeidnia

    2014-04-01

    Full Text Available Dracocephalum kotschyi (Lamiaceae, as one of the remarkable aromatic plants, widely grows and also is cultivated in various temperate regions of Iran. There are diverse reports about the composition of the oil of this plant representing limonene derivatives as its major compounds. There is no report on cloning of mono- or sesquiterpene synthases from this plant. In the present study, the aroma profile of D. kotschyi has been extracted and analyzed via Headspace Solid-Phase Microextraction technique coupled with Gas Chromatography- Mass Spectroscopy. In order to determine the sequence of the active terpene synthase in this plant, first mRNA was prepared and cloning was performed by 3’ and 5’-RACEs-PCR method, then cDNA was sequenced and finally aligned with other recognized terpene synthases. The results showed that the plant leaves mainly comprised geranial (37.2%, limonene-10-al (28.5%, limonene (20.1% and 1,1-dimethoxy decane (14.5%. Sequencing the cDNA cloned from this plant revealed the presence of a monoterpene synthase absolutely similar to limonene synthase, responsible in formation of limonene, terpinolene, camphene and some other cyclic monoterpenes in its young leaves.

  7. Free and glycosidically bound volatile compounds in sun-dried raisins made from different fragrance intensities grape varieties using a validated HS-SPME with GC-MS method.

    Science.gov (United States)

    Wang, Dong; Duan, Chang-Qing; Shi, Ying; Zhu, Bao-Qing; Javed, Hafiz Umer; Wang, Jun

    2017-08-01

    The conditions of sample pretreatments and HS-SPME for extracting volatile compounds from raisins were optimized, and the method was validated in the study. Free and glycosidically bound volatile compounds in three different fragrance intensities raisins were analysed using this method. There were 91 compounds identified, and 72, 26 and 8 of these compounds came from fresh grapes, the auto-oxidation of unsaturated fatty acids (UFAO) and the Maillard reaction, respectively. The aroma profiles of Thompson Seedless raisins (TSRs) and Centennial Seedless raisins (CSRs) were similar, while the floral, fruity, green and roasted aromas of CSRs were higher than those of TSRs due to the contributions of benzeneacetaldehyde, 2-pentylfuran, (E)-2-nonenal and 3-ethyl-2,5-dimethyl pyrazine. Decanal, rose oxide, geraniol, linalool and β-damascenone made the floral and fruity aromas of Zixiang Seedless raisins (ZSRs) greater than those in TSRs and CSRs, but the green and roasted aroma intensities of ZSRs were lower. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Solvent-mediated pathways to gelation and phase separation in suspensions of grafted nanoparticles

    KAUST Repository

    Anyfantakis, Manos

    2009-01-01

    We explore the role of the solvent medium on the interplay between gelation and phase separation in suspensions of organosilicate planar hybrids grafted with hydrocarbon chains. We establish their phase diagram by means of dynamic light scattering, rheology and visual observations, and different routes to gelation, depending on the solvent used. In agreement with earlier works, the solvent quality for the grafted chains at a given temperature controls the balance between attractions and repulsions, and hence the phase diagram of the nanoparticles and their tendency to gel. Here we show how to tune the suspension state and hence its rheology. For decane, a good solvent for the hydrocarbon chains, gelation occurs at rather low volume fractions in the presence of phase separation. This is due to the interdigitation of solvent molecules with the grafted chains, resulting in their crystalline packing that promotes the attraction between particles. For toluene, a solvent of reduced quality for the hydrocarbon chains, no interdigitation takes place, and hence gelation is triggered by clustering at higher volume fractions before phase separation. Our results support the generic picture of complex kinetic arrest/phase separation interplay in soft matter, where phase separation can proceed, be interrupted or be completely inhibited. A number of interesting possibilities for tailoring the rheology of grafted colloidal systems emerge. © 2009 The Royal Society of Chemistry.

  9. Aroma components of American country ham.

    Science.gov (United States)

    Song, H; Cadwallader, K R

    2008-01-01

    The aroma-active compounds of American country ham were investigated by using direct solvent extraction-solvent assisted flavor evaporation (DSE-SAFE), dynamic headspace dilution analysis (DHDA), gas chromatography-olfactometry (GCO), aroma extract dilution analysis (AEDA), and gas chromatography-mass spectrometry (GC-MS). The results indicated the involvement of numerous volatile constituents in the aroma of country ham. For DHDA, 38 compounds were identified as major odorants, among them, 1-octen-3-one, 2-acetyl-1-pyrroline, 1-nonen-3-one, decanal, and (E)-2-nonenal were the most predominant, having FD-factors >or= 125 in all 3 hams examined, followed by 3-methylbutanal, 1-hexen-3-one, octanal, acetic acid, phenylacetaldehyde, and Furaneol. For the DSE-SAFE method, the neutral/basic fraction was dominated by 1-octen-3-one, methional, guaiacol, (E)-4,5-epoxy-(E)-decenal, p-cresol as well as 3-methylbutanal, hexanal, 2-acetyl-1-pyrroline, phenylacetaldehyde, and gamma-nonalactone. The acidic fraction contained mainly short-chain volatile acids (3-methylbutanoic acid, butanoic acid, hexanoic acid, and acetic acid) and Maillard reaction products (for example, 4-hydroxy-2,5-dimethyl-3(2H)-furanone). The above compounds identified were derived from lipid oxidation, amino acid degradation, and Maillard/Strecker and associated reactions. Both methods revealed the same nature of the aroma components of American country ham.

  10. Aroma volatile compounds from two fresh pineapple varieties in China.

    Science.gov (United States)

    Zheng, Liang-Yong; Sun, Guang-Ming; Liu, Yu-Ge; Lv, Ling-Ling; Yang, Wen-Xiu; Zhao, Wei-Feng; Wei, Chang-Bin

    2012-01-01

    Volatile compounds from two pineapples varieties (Tainong No.4 and No.6) were isolated by headspace solid phase microextraction (HS-SPME) and identified and quantified by gas chromatography-mass spectrometry (GC/MS). In the Tainong No. 4 and No. 6 pineapples, a total of 11 and 28 volatile compounds were identified according to their retention time on capillary columns and their mass spectra, and quantified with total concentrations of 1080.44 μg·kg(-1) and 380.66 μg·kg(-1) in the Tainong No.4 and No. 6 pineapples, respectively. The odor active values (OAVs) of volatile compounds from pineapples were also calculated. According to the OAVs, four compounds were defined as the characteristic aroma compounds for the Tainong No. 4 pineapple, including furaneol, 3-(methylthio)propanoic acid methyl ester, 3-(methylthio)propanoic acid ethyl ester and δ-octalactone. The OAVs of five compounds including ethyl-2-methylbutyrate, methyl-2-methylbutyrate, 3-(methylthio)propanoic acid ethyl ester, ethyl hexanoate and decanal were considered to be the characteristic aroma compounds for the Tainong No. 6 pineapple.

  11. Changes in color and odorant compounds during oxidative aging of Pedro Ximenez sweet wines.

    Science.gov (United States)

    Chaves, Margarita; Zea, Luis; Moyano, Lourdes; Medina, Manuel

    2007-05-02

    Pedro Ximenez sweet wines obtained following the typical criaderas and solera method for sherry wines and subjected to oxidative aging for 0, 1.3, 4.2, 7.0, or 11.5 years were studied in terms of color and aroma fraction by using the CIELab method and gas chromatography, respectively. The parameters defining the CIELab color space (a*, b*, and L*) were subjected to a multiple-range test (p 1 that enriched the wines with fruity, fatty, floral, and balsamic notes during the aging process. The changes in color parameters and active odorants were not linearly related to aging time, being especially marked during the first 1.3 years and then less substantial up to the 7 years, the oldest wines exhibiting sensorial properties markedly departing from all others. For the wines aged over 1.3 years (minimum aging), 2,3-butanedione, linalool, and decanal can be used as reliable fingerprints of the older wines' quality.

  12. An Effective Quality Control of Pharmacologically Active Volatiles of Houttuynia cordata Thunb by Fast Gas Chromatography-Surface Acoustic Wave Sensor.

    Science.gov (United States)

    Oh, Se Yeon

    2015-06-03

    Fast gas chromatography-surface acoustic wave sensor (GC/SAW) has been applied for the detection of the pharmacological volatiles emanated from Houttuynia cordata Thunb which is from South Korea. H. cordata Thunb with unpleasant and fishy odors shows a variety of pharmacological activities such as anti-microbial, anti-inflammatory, anti-cancer, and insect repellent. The aim of this study is to show a novel quality control by GC/SAW methodology for the discrimination of the three different parts of the plant such as leaves, aerial stems, and underground stems for H. cordata Thunb. Sixteen compounds were identified. β-Myrcene, cis-ocimene and decanal are the dominant volatiles for leaves (71.0%) and aerial stems (50.1%). While, monoterpenes (74.6%) are the dominant volatiles for underground stems. 2-Undecanone (1.3%) and lauraldehyde (3.5%) were found to be the characteristic components for leaves. Each part of the plant has its own characteristic fragrance pattern owing to its individual chemical compositions. Moreover, its individual characteristic fragrance patterns are conducive to discrimination of the three different parts of the plant. Consequently, fast GC/SAW can be a useful analytical method for quality control of the different parts of the plant with pharmacological volatiles as it provides second unit analysis, a simple and fragrant pattern recognition.

  13. Differentiation between Flavors of Sweet Orange (Citrus sinensis) and Mandarin (Citrus reticulata).

    Science.gov (United States)

    Feng, Shi; Suh, Joon Hyuk; Gmitter, Frederick G; Wang, Yu

    2018-01-10

    Pioneering investigations referring to citrus flavor have been intensively conducted. However, the characteristic flavor difference between sweet orange and mandarin has not been defined. In this study, sensory analysis illustrated the crucial role of aroma in the differentiation between orange flavor and mandarin flavor. To study aroma, Valencia orange and LB8-9 mandarin were used. Their most aroma-active compounds were preliminarily identified by aroma extract dilution analysis (AEDA). Quantitation of key volatiles followed by calculation of odor activity values (OAVs) further detected potent components (OAV ≥ 1) impacting the overall aromatic profile of orange/mandarin. Follow-up aroma profile analysis revealed that ethyl butanoate, ethyl 2-methylbutanoate, octanal, decanal, and acetaldehyde were essential for orange-like aroma, whereas linalool, octanal, α-pinene, limonene, and (E,E)-2,4-decadienal were considered key components for mandarin-like aroma. Furthermore, an unreleased mandarin hybrid producing fruit with orange-like flavor was used to validate the identification of characteristic volatiles in orange-like aroma.

  14. Source profiles of volatile organic compounds associated with solvent use in Beijing, China

    Science.gov (United States)

    Yuan, Bin; Shao, Min; Lu, Sihua; Wang, Bin

    2010-05-01

    Compositions of volatile organic compound (VOC) emissions from painting applications and printing processes were sampled and measured by gas chromatography-mass spectrometry/flame ionization detection (GC-MS/FID) in Beijing. Toluene and C8 aromatics were the most abundant species, accounting for 76% of the total VOCs emitted from paint applications. The major species in printing emissions included heavier alkanes and aromatics, such as n-nonane, n-decane, n-undecane, toluene, and m/p-xylene. Measurements of VOCs obtained from furniture paint emissions in 2003 and 2007 suggest a quick decline in benzene levels associated with formulation changes in furniture paints during these years. A comparison of VOC source profiles for painting and printing between Beijing and other parts of the world showed significant region-specific discrepancies, probably because of different market demands and environmental standards. We conducted the evaluation of the source reactivities for various VOC emission sources. The ozone formation potential (OFP) for unit mass of VOCs source emissions is the highest for paint applications. Substituting solvent-based paints by water-based in Beijing will lead to an OFP reduction of 152,000 tons per year, which is more than 1/4 of the OFPs for VOCs emissions from vehicle exhaust in the city.

  15. Preparation of JEREMI Experiment: Development of the Ground Based Prototype

    Science.gov (United States)

    Yasnou, V.; Mialdun, A.; Shevtsova, V.

    2012-12-01

    This study has been performed in the frame of preparing the space experiment JEREMI (Japanese and European Research Experiment on Marangoni Instabilities). The use of forced coaxial gas flow is proposed as a way to stabilize the Marangoni convection in liquid bridges, which might have important technological applications in the floating zone technique. A new set-up is under development and all sub-systems have passed severe tests. Here we present the design of this set-up and preliminary results of experiments for shear-driven two-phase flows in a confined volume of liquid under conditions of normal gravity. The geometry corresponds to a cylindrical liquid bridge concentrically surrounded by an annular gas channel with external solid walls. Gas enters into the annular duct, flows between solid walls and upon reaching the liquid zone entrains initially quiescent liquid. The test liquids are ethanol, n-decane and 5 cSt silicone oil, which have different degrees of viscosity and of volatility. The gas flow along the interface strongly enhances the evaporation and, correspondingly, affects the interface shape. Silhouette measurements are used for optical determination of the interface shape. From the digital images the variation of the liquid volume as a function of flow rate is calculated.

  16. Secondary Metabolites of the Cuticular Abdominal Glands of Variegated Grasshopper (Zonocerus variegatus L.

    Directory of Open Access Journals (Sweden)

    O. U. Igwe

    2015-01-01

    Full Text Available Chemical compounds were extracted with petroleum ether from the cuticular abdominal glands of grasshopper (Zonocerus variegatus L. and eleven compounds were characterised using Gas Chromatography/Mass Spectrometry (GC/MS technique in combination with Fourier Transform-Infrared Spectroscopy (FT-IR. The compounds analysed were 2,7-dimethyloctane (3.21%, decane (5.33%, undecane (3.81%, tridecanoic acid methyl ester (4.76%, hexadecanoic acid (9.37%, 11-octadecenoic acid methyl ester (23.18%, pentadecanoic acid, 14-methyl-methyl ester (4.43%, (Z-13-docosenoic acid (10.71%, dodecyl pentafluoropropionate (9.52%, 2-dodecyl-1,3-propanediol (6.38%, and 1,12-tridecadiene (19.30%. FT-IR analysis of the extract showed peaks at 1270.17 (C–O and C–F, 1641.48 (C=C, 2937.68 (C–H, and 3430.51 (O–H cm−1 indicating the presence of ether, alkene, alkane, alcohol, carboxylic acid, and fluoric compounds. These compounds consisted of 32.37% ester, 31.65% hydrocarbons, 20.08% fatty acid, 9.52% halogenated ester, and 6.38% alcohol. The highest component was 11-octadecenoic acid methyl ester followed by 1,12-tridecadiene. Since behavioural bioassays were not carried out, the consideration of these compounds to be pheromone semiochemicals remains a hypothesis.

  17. Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS.

    Science.gov (United States)

    Ramírez, María Rosario; Estévez, Mario; Morcuende, David; Cava, Ramón

    2004-12-15

    The effect of the type of frying culinary fat (olive oil, sunflower oil, butter, and pig lard) on volatile compounds isolated from fried pork loin chops (m. Longissimus dorsi) was measured by SPME-GC-MS. Frying modified the fatty acid composition of lipids from pork loin chops, which tended to be similar to that of the culinary fat used to fry. Volatile compounds formed from the oxidation of fatty acids increased, such as aldehydes, ketones, alcohols, and hydrocarbons. Besides, each culinary fat used modified the volatile profiles in fried meat differently. Sunflower oil-fried pork loin chops presented the highest aldehyde aliphatic content, probably due to their highest content of polyunsaturated acids. Hexanal, the most abundant aldehyde in fried samples, presented the most elevated content in sunflower oil-fried pork loin chops. In addition, these samples presented more heterocyclic compounds from the Maillard reaction than other fried samples. Volatiles detected in olive oil-fried pork loin chops were mainly lipid-derived compounds such as pentan-1-ol, hexanal, hept-2-enal, nonanal, decanal, benzaldehyde, and nonan-2-one. Butter-fried pork loins were abundant in ketones with a high number of carbons (heptan-2-one, nonan-2-one, undecan-2-one, tridecanone, and heptadecan-2-one). Pig lard-fried pork loin chops presented some Strecker aldehydes isolated in only these samples, such as 2-methylbutanal and 3-(methylthio)propanal, and a sulfur compound (dimethyl disulfide) related to Strecker aldehydes.

  18. Investigation of indoor chemical pollutants and perceived odor in an area with complaints of unpleasant odors

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Chiung-Yu.; Wu, Tzong-Jer [Graduate Institute of Occupational Safety and Health, Kaohsiung Medical University, 100, Shih-Chuan 1st Road, Kaohsiung 807 (China); Lan, Cheng-Hang [Department of Occupational Safety and Health, Chung-Hwa University of Medical Technology, Tai-Nan County 717 (China)

    2009-10-15

    An uncomfortable smell was reported by employees of an IT office (information technological office) in a medical center. This problem started two years ago when the office was refurbished. The objectives of this study are to characterize the indoor air quality of this complaint area in terms of chemical pollutants and odor characteristics, and identify possible sources of this foul smell. Carbonyl chemicals and volatile organic compounds (VOCs) were investigated in this study, since these two groups are associated with odors and health effects. Additionally, the odor was evaluated by odor assessors (non-smokers) who recorded odor characters that appeared in offices. By comparing chemical measurements between complaint and non-complaint areas, calculating odor indices, and correlating odor and chemical measurements, we got results showing that a higher correlation coefficient is found between odor presence frequencies and VOC concentrations. Further investigating found nonanal and decanal are possible chemicals for malodors. The concentration levels of these two chemicals in the complaint area are higher than those in the non-complaint areas and exceeding odor thresholds. Possible sources of these long-chain aldehydes are formed during the oxidation degradations of fatty acids like linoleic acid, linolenic acid and oleic acid which are ingredients for many building products like linoleum and surface coating. In order to mitigate this malodor problem, extra and effective ventilation flow rate should be provided to reduce the concentrations of odorous chemicals and the precursors for these odorous chemicals. (author)

  19. Comparison of reactivity in a flow reactor and a single cylinder engine

    Energy Technology Data Exchange (ETDEWEB)

    Natelson, Robert H.; Johnson, Rodney O.; Kurman, Matthew S.; Cernansky, Nicholas P.; Miller, David L. [Department of Mechanical Engineering and Mechanics, Drexel University, 3141 Chestnut Street, Philadelphia, PA 19104-2875 (United States)

    2010-10-15

    The relative reactivity of 2:1:1 and 1:1:1 mixtures of n-decane:n-butylcyclohexane:n-butylbenzene and an average sample of JP-8 were evaluated in a single cylinder engine and compared to results obtained in a pressurized flow reactor. At compression ratios of 14:1, 15:1, and 16:1, inlet temperature of 500 K, inlet pressure of 0.1 MPa, equivalence ratio of 0.23, and engine speed of 800 RPM, the autoignition delay times were, from shortest to longest, the 2:1:1, followed by the 1:1:1, and then the JP-8. This order corresponded with recent results in a pressurized flow reactor, where the preignition oxidation chemistry was monitored at temperatures of 600-800 K, 0.8 MPa pressure, and an equivalence ratio of 0.30, and where the preignition reactivity from highest to lowest was the 2:1:1, followed by the 1:1:1, and the JP-8. This shows that the relative reactivity at low temperatures in the flow reactor tracks the autoignition tendencies in the engine for these particular fuels. (author) the computed experimental error. (author)

  20. Selective Detection of Target Volatile Organic Compounds in Contaminated Humid Air Using a Sensor Array with Principal Component Analysis

    Science.gov (United States)

    Itoh, Toshio; Akamatsu, Takafumi; Tsuruta, Akihiro; Shin, Woosuck

    2017-01-01

    We investigated selective detection of the target volatile organic compounds (VOCs) nonanal, n-decane, and acetoin for lung cancer-related VOCs, and acetone and methyl i-butyl ketone for diabetes-related VOCs, in humid air with simulated VOC contamination (total concentration: 300 μg/m3). We used six “grain boundary-response type” sensors, including four commercially available sensors (TGS 2600, 2610, 2610, and 2620) and two Pt, Pd, and Au-loaded SnO2 sensors (Pt, Pd, Au/SnO2), and two “bulk-response type” sensors, including Zr-doped CeO2 (CeZr10), i.e., eight sensors in total. We then analyzed their sensor signals using principal component analysis (PCA). Although the six “grain boundary-response type” sensors were found to be insufficient for selective detection of the target gases in humid air, the addition of two “bulk-response type” sensors improved the selectivity, even with simulated VOC contamination. To further improve the discrimination, we selected appropriate sensors from the eight sensors based on the PCA results. The selectivity to each target gas was maintained and was not affected by contamination. PMID:28753948

  1. Molecular dynamics simulations of diffusion and clustering along critical isotherms of medium-chain n-alkanes.

    Science.gov (United States)

    Mutoru, J W; Smith, W; O'Hern, C S; Firoozabadi, A

    2013-01-14

    Understanding the transport properties of molecular fluids in the critical region is important for a number of industrial and natural systems. In the literature, there are conflicting reports on the behavior of the self diffusion coefficient D(s) in the critical region of single-component molecular systems. For example, D(s) could decrease to zero, reach a maximum, or remain unchanged and finite at the critical point. Moreover, there is no molecular-scale understanding of the behavior of diffusion coefficients in molecular fluids in the critical regime. We perform extensive molecular dynamics simulations in the critical region of single-component fluids composed of medium-chain n-alkanes-n-pentane, n-decane, and n-dodecane-that interact via anisotropic united-atom potentials. For each system, we calculate D(s), and average molecular cluster sizes κ(cl) and numbers N(cl) at various cluster lifetimes τ, as a function of density ρ in the range 0.2ρ(c) ≤ ρ ≤ 2.0ρ(c) at the critical temperature T(c). We find that D(s) decreases with increasing ρ but remains finite at the critical point. Moreover, for any given τ critical point.

  2. Synthesis of the water soluble ligands dmPTA and dmoPTA and the complex [RuClCp(HdmoPTA)(PPh(3))](OSO(2)CF(3)) (dmPTA = N,N'-Dimethyl-1,3,5-triaza-7-phosphaadamantane, dmoPTA = 3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane, HdmoPTA = 3,7-H-3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).

    Science.gov (United States)

    Mena-Cruz, Adrian; Lorenzo-Luis, Pablo; Romerosa, Antonio; Saoud, Mustapha; Serrano-Ruiz, Manuel

    2007-07-23

    The new water-soluble ligand dmPTA(OSO(2)CF(3))(2) (1) (dmPTA = N,N'-dimethyl-1,3,5-triaza-7-phosphaadamantane) has been synthesized by reaction of PTA with MeOSO(2)CF(3) in acetone (PTA = 1,3,5-triaza-7-phosphatricycle[3.3.1.1(3,7)]decane). The reaction of 1 with KOH gave rise to the new water-soluble ligand dmoPTA (3) (dmoPTA = 3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane) by elimination of the -CH(2)- group located between both NCH(3) units. Compound dmPTA(BF(4))(2) (2) and complex [RuClCp(HdmoPTA)(PPh(3))](OSO(2)CF(3)) (4) have also been synthesized, while compounds HdmoPTA(BF(4)) (3a) and [RuClCp(dmPTA)(PPh(3))](OSO(2)CF(3)) (5) were characterized but not isolated. The new ligands and the complex have been fully characterized by NMR, IR, elemental analysis, and X-ray crystal structure determination (ligand 1 and complex 4). The synthetic processes for 3 and 4 were studied.

  3. Study of the volatile compounds from plum (Prunus domestica L. cv. Horvin and estimation of their contribution to the fruit aroma

    Directory of Open Access Journals (Sweden)

    Jorge Antonio Pino

    2012-03-01

    Full Text Available Simultaneous Distillation-Extraction (SDE and headspace-solid phase microextraction (HS-SPME combined with GC-FID and GC-MS were used to analyze volatile compounds from plum (Prunus domestica L. cv. Horvin and to estimate the most odor-active compounds by application of the Odor Activity Values (OAV. The analyses led to the identification of 148 components, including 58 esters, 23 terpenoids, 14 aldehydes, 11 alcohols, 10 ketones, 9 alkanes, 7 acids, 4 lactones, 3 phenols, and other 9 compounds of different structures. According to the results of SDE-GC-MS, SPME-GC-MS and OAV, ethyl 2-methylbutanoate, hexyl acetate, (E-2-nonenal, ethyl butanoate, (E-2-decenal, ethyl hexanoate, nonanal, decanal, (E-β-ionone, Γ-dodecalactone, (Z-3-hexenyl acetate, pentyl acetate, linalool, Γ-decalactone, butyl acetate, limonene, propyl acetate, Δ-decalactone, diethyl sulfide, (E-2-hexenyl acetate, ethyl heptanoate, (Z-3-hexenol, (Z-3-hexenyl hexanoate, eugenol, (E-2-hexenal, ethyl pentanoate, hexyl 2-methylbutanoate, isopentyl hexanoate, 1-hexanol, Γ-nonalactone, myrcene, octyl acetate, phenylacetaldehyde, 1-butanol, isobutyl acetate, (E-2-heptenal, octadecanal, and nerol are characteristic odor active compounds in fresh plums since they showed concentrations far above their odor thresholds.

  4. Salinity-Dependent Contact Angle Alteration in Oil/Brine/Silicate Systems: the Critical Role of Divalent Cations.

    Science.gov (United States)

    Haagh, M E J; Siretanu, I; Duits, M H G; Mugele, F

    2017-04-11

    The effectiveness of water flooding oil recovery depends to an important extent on the competitive wetting of oil and water on the solid rock matrix. Here, we use macroscopic contact angle goniometry in highly idealized model systems to evaluate how brine salinity affects the balance of wetting forces and to infer the microscopic origin of the resultant contact angle alteration. We focus, in particular, on two competing mechanisms debated in the literature, namely, double-layer expansion and divalent cation bridging. Our experiments involve aqueous droplets with a variable content of chloride salts of Na + , K + , Ca 2+ , and Mg 2+ , wetting surfaces of muscovite and amorphous silica, and an environment of ambient decane containing small amounts of fatty acids to represent polar oil components. By diluting the salt content in various manners, we demonstrate that the water contact angle on muscovite, not on silica, decreases by up to 25° as the divalent cation concentration is reduced from typical concentrations in seawater to zero. Decreasing the ionic strength at a constant divalent ion concentration, however, has a negligible effect on the contact angle. We discuss the consequences for the interpretation of core flooding experiments and the identification of a microscopic mechanism of low salinity water flooding, an increasingly popular, inexpensive, and environment-friendly technique for enhanced oil recovery.

  5. Evaluation of Isoprene Chain Extension from PEO Macromolecular Chain Transfer Agents for the Preparation of Dual, Invertible Block Copolymer Nanoassemblies.

    Science.gov (United States)

    Bartels, Jeremy W; Cauët, Solène I; Billings, Peter L; Lin, Lily Yun; Zhu, Jiahua; Fidge, Christopher; Pochan, Darrin J; Wooley, Karen L

    2010-09-14

    Two RAFT-capable PEO macro-CTAs, 2 and 5 kDa, were prepared and used for the polymerization of isoprene which yielded well-defined block copolymers of varied lengths and compositions. GPC analysis of the PEO macro-CTAs and block copolymers showed remaining unreacted PEO macro-CTA. Mathematical deconvolution of the GPC chromatograms allowed for the estimation of the blocking efficiency, about 50% for the 5 kDa PEO macro-CTA and 64% for the 2 kDa CTA. Self assembly of the block copolymers in both water and decane was investigated and the resulting regular and inverse assemblies, respectively, were analyzed with DLS, AFM, and TEM to ascertain their dimensions and properties. Assembly of PEO-b-PIp block copolymers in aqueous solution resulted in well-defined micelles of varying sizes while the assembly in hydrophobic, organic solvent resulted in the formation of different morphologies including large aggregates and well-defined cylindrical and spherical structures.

  6. Enhanced down regulation of cortical ±-propranolol sensitive [3H]-DHA binding sites by co-administration of DMI and 5-HT1A partial agonist gepirone

    International Nuclear Information System (INIS)

    Geissler, M.A.; Yocca, F.D.

    1990-01-01

    The putative interrelationship between the noradrenergic and serotonergic systems has been supported by numerous studies. Recently, Dudley et al. (1989) demonstrated significant down regulation of cortical β-adrenergic receptors by co-administration of desipramine (DMI), a norepinephrine uptake inhibitor, and the full 5-HT 1A agonist 8-OH-DPAT. To this end, the effects of acute and chronic (4 and 14 day) administration of DMI, gepirone, a selective 5-HT 1A post-synaptic partial agonist, as well as a combination of the two, on cortical (±)-propranolol sensitive [ 3 H]-DHA binding sites were examined in rats. Down regulation was apparent after 4 and 14 day treatment with DMI. However, this was not the case with gepirone. Of particular importance is the demonstration of a greater magnitude of down regulation with co-administration of a greater magnitude of down regulation with co-administration of DMI and gepirone. These results suggests that alteration in rat cortical (±)-propranolol sensitive [ 3 H]-DHA binding sites by noradrenergic uptake inhibitors can be further modulated by selective partial agonist activity at central 5-HT 1A postsynaptic receptors. Further data on the co-administration of DMI and BMY 7378 (7,9-dioxo-8-[2-(4-o-methoxyphenylpiperazinyl)ethyl]-8-azaspiro[4,5]decane dihydrochloride), a weak partial agonist at postsynaptic 5-HT 1A receptors, are also presented

  7. Determination of thermodynamic properties of poly (cyclohexyl methacrylate) by inverse gas chromatography.

    Science.gov (United States)

    Kaya, Ismet; Pala, Cigdem Yigit

    2014-07-01

    In this work, some thermodynamic properties of poly (cyclohexyl methacrylate) were studied by inverse gas chromatography (IGC). For this purpose, the polymeric substance was coated on Chromosorb W and which was filled into a glass column. The retention times (t(r)) of the probes were determined from the interactions of poly (cyclohexyl methacrylate) with n-pentane, n-hexane, n-heptane, n-octane, n-decane, methanol, ethanol, 2-propanol, butanol, acetone, ethyl methyl ketone, benzene, toluene and o-xylene by IGC technique. Then, the specific volume (Vg(0)) was determined for each probe molecule. By using (1/T; lnVg(0)) graphics, the glass transition temperature of poly (cyclohexyl methacrylate) was found to be 373 K. The adsorption heat under the glass transition temperature (deltaH(a)), and partial molar heat of sorption above the glass transition (deltaH1(S)), partial molar free energy of sorption (deltaG1(S)) and partial molar entropy of sorption (deltaS1(S)) belonging to sorption for every probe were calculated. The partial molar heat of mixing at infinite dilution (deltaH1(infinity)), partial molar free energy of mixing at infinite dilution (deltaG1(infinity)), Flory-Huggins interaction parameter (chi12(infinity)) and weight fraction activity coefficient (a1/w1)(infinity) values of polymer-solute systems were calculated at different column temperatures. The solubility parameters (delta2) of the polymer were obtained by IGC technique.

  8. The MrCYP52 cytochrome P450 monoxygenase gene of Metarhizium robertsii is important for utilizing insect epicuticular hydrocarbons.

    Directory of Open Access Journals (Sweden)

    Liangcai Lin

    Full Text Available Fungal pathogens of plants and insects infect their hosts by direct penetration of the cuticle. Plant and insect cuticles are covered by a hydrocarbon-rich waxy outer layer that represents the first barrier against infection. However, the fungal genes that underlie insect waxy layer degradation have received little attention. Here we characterize the single cytochrome P450 monoxygenase family 52 (MrCYP52 gene of the insect pathogen Metarhizium robertsii, and demonstrate that it encodes an enzyme required for efficient utilization of host hydrocarbons. Expressing a green florescent protein gene under control of the MrCYP52 promoter confirmed that MrCYP52 is up regulated on insect cuticle as well as by artificial media containing decane (C10, extracted cuticle hydrocarbons, and to a lesser extent long chain alkanes. Disrupting MrCYP52 resulted in reduced growth on epicuticular hydrocarbons and delayed developmental processes on insect cuticle, including germination and production of appressoria (infection structures. Extraction of alkanes from cuticle prevented induction of MrCYP52 and reduced growth. Insect bioassays against caterpillars (Galleria mellonella confirmed that disruption of MrCYP52 significantly reduces virulence. However, MrCYP52 was dispensable for normal germination and appressorial formation in vitro when the fungus was supplied with nitrogenous nutrients. We conclude therefore that MrCYP52 mediates degradation of epicuticular hydrocarbons and these are an important nutrient source, but not a source of chemical signals that trigger infection processes.

  9. Deep desulfurization of diesel via peroxide oxidation using phosphotungstic acid as phase transfer catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Sachdeva, T.O.; Pant, K.K. [Department of Chemical Engineering, Indian Institute of Technology, Delhi, New Delhi, 110016 (India)

    2010-09-15

    High sulfur level in diesel fuel has been identified as a major contributor to air pollutant in term of sulfur dioxide (SO{sub x}) through diesel fueled vehicles. The main aim of the present work is to develop a promising methodology for ultra deep desulfurization of diesel fuel using oxidation followed by phase transfer of oxidized sulfur. Experiments were carried out in a batch reactor using n-decane as the model diesel compound and also using commercial diesel feedstock. To remove sulfur tetraoctylammonium bromide, phosphotungstic acid, and hydrogen peroxide were used as phase transfer agent, catalyst and oxidant respectively. The percent sulfur removal increases with increasing the initial concentration of sulfur in fuel and with increasing the reaction temperature. Similar trends were observed when commercial diesel was used to carry out desulfurization studies. The amphiphilic catalyst serves as a catalyst and also as an emulsifying agent to stabilize the emulsion droplets. The effects of temperature, agitation speed, quantity of catalyst and the phase transfer agent were studied to estimate the optimal conditions for the reactions. The sulfur removal from a commercial diesel by phase transfer catalysis has been found effective and removal efficiency was more than 98%. Kinetic experiments carried out for the desulfurization revealed that the sulfur removal results are best fitted to a pseudo first order kinetics and the apparent activation energy of desulfurization was 30.6 kJ/mol. (author)

  10. Deep desulfurization of diesel via peroxide oxidation using phosphotungstic acid as phase transfer catalyst

    International Nuclear Information System (INIS)

    Sachdeva, T.O.; Pant, K.K.

    2010-01-01

    High sulfur level in diesel fuel has been identified as a major contributor to air pollutant in term of sulfur dioxide (SO x ) through diesel fueled vehicles. The main aim of the present work is to develop a promising methodology for ultra deep desulfurization of diesel fuel using oxidation followed by phase transfer of oxidized sulfur. Experiments were carried out in a batch reactor using n-decane as the model diesel compound and also using commercial diesel feedstock. To remove sulfur tetraoctylammonium bromide, phosphotungstic acid, and hydrogen peroxide were used as phase transfer agent, catalyst and oxidant respectively. The percent sulfur removal increases with increasing the initial concentration of sulfur in fuel and with increasing the reaction temperature. Similar trends were observed when commercial diesel was used to carry out desulfurization studies. The amphiphilic catalyst serves as a catalyst and also as an emulsifying agent to stabilize the emulsion droplets. The effects of temperature, agitation speed, quantity of catalyst and the phase transfer agent were studied to estimate the optimal conditions for the reactions. The sulfur removal from a commercial diesel by phase transfer catalysis has been found effective and removal efficiency was more than 98%. Kinetic experiments carried out for the desulfurization revealed that the sulfur removal results are best fitted to a pseudo first order kinetics and the apparent activation energy of desulfurization was 30.6 kJ/mol. (author)

  11. Diluent and extractant effects on the enthalpy of extraction of uranium(VI) and americium(III) nitrates by trialkyl phosphates

    International Nuclear Information System (INIS)

    Srinivasan, T.G.; Vasudeva Rao, P.R.; Sood, D.D.

    1998-01-01

    The effect of various diluents such as n-hexane, n-heptane n-octane, isooctane, n-decane, n-undecane, n-dodecane, n-tetradecane, n-hexadecane, cyclohexane, benzene, toluene, p-xylene, mesitylene and o-dichlorobenzene on the enthalpy of extraction of uranyl nitrate by tri-n-amyl phosphate (TAP) over the temperature range 283 K--333 K has been studied. The results indicate that the enthalpy of extraction does not vary significantly with the diluents studied. Also enthalpies of extraction of uranyl nitrate and americium(III) nitrate by neutral organo phosphorous extractants such as tri-n-butyl phosphate (TBP), tri-n-amyl phosphate (TAP), tri-sec-butyl phosphate (TsBP), tri-isoamyl phosphate (TiAP) and tri-n-hexyl phosphate (THP) have been studied. An attempt has been made to explain the trends, on the basis of the nature of the solvate formed and the different terms which contribute to the overall enthalpy change

  12. Synthesis and in vivo testing of a bromobutyl substituted 1,2-dithia-5,9-diazacycloundecane: a versatile precursor for new sup 99m Tc-bis(aminoethanethiol) complexes

    Energy Technology Data Exchange (ETDEWEB)

    Eisenhut, M.; Brandau, W.; Missfeldt, M. (Heidelberg Univ. (Germany, F.R.). Radiologisches Zentrum)

    1989-01-01

    7-(4'Bromobutyl)-3,3,11,11-tetramethyl-1,2-dithia-5,9-diazacycloundecane (6) an intermediate for the preparation of new {sup 99m}Tc-bis(aminoethanethiol) complexes ({sup 99m}Tc-BAT) was synthesized from the corresponding 7-(4'-phenoxybutyl) derivative (5) by ether cleavage with HBr/AcOH. To demonstrate its versatility as an alkylating agent, 6 was reacted with the amines piperidine, morpholine, NH{sub 3} and 1-phenyl-1,3,8-triazaspiro(4,5)decan-4-one, yielding the corresponding N-alkylated amines. Mild ring opening affording the BAT-ligands was achieved by reductive cleavage of the disulphide bonds with threo-2,3-dihydroxy-1,4-dimercaptobutane. The {sup 99m}Tc-BAT complexes prepared by the tin-reduction method proved to be stable under in vitro conditions. With the exception of the 7-(4'-aminobutyl) substituted one, the {sup 99m}Tc-BAT complexes revealed octanol-buffer partition coefficients (P) of log P > 1 at physiological pH. The complexes proved to be neutral and the amount of ultrafiltrable {sup 99m}Tc-BAT complex varied between 8-18%. In contrast to the good in vitro characteristics, the brain uptake values in CD-1 mice were comparably low. (author).

  13. Separate and Combined Effects of Mentha piperata and Mentha pulegium Essential Oils and a Pathogenic Fungus Lecanicillium muscarium Against Aphis gossypii (Hemiptera: Aphididae).

    Science.gov (United States)

    Ebadollahi, Asgar; Davari, Mahdi; Razmjou, Jabrael; Naseri, Bahram

    2017-06-01

    In the present study, the toxicity of essential oils of Mentha piperata L. and Mentha pulegium L. and pathogenicity of Lecanicillium muscarium (Zare & Gams) were studied in the melon aphid, Aphis gossypii Glover. Analyses of the essential oils by GC-MS indicated limonene (27.28%), menthol (24.71%), menthone (14.01%), and carvol (8.46%) in the M. piperata essential oil and pulegone (73.44%), piperitenone (5.49%), decane (4.99%), and limonene (3.07%) in the essential oil of M. pulegium as the main components. Both essential oils and the pathogenic fungus had useful toxicity against A. gossypii. Probit analysis indicated LC50 values (lethal concentrations to kill 50% of population; 95% confidence limits in parentheses) of M. piperata and M. pulegium essential oils as 15.25 (12.25-19.56) and 23.13 (19.27-28.42) µl/liter air, respectively. Susceptibility to the pathogenic fungus increased with exposure time. Aphid mortality also increased when the essential oils were combined with L. muscarium, although the phenomena was additive rather than synergistic. Mycelial growth inhibition of L. muscarium exposed to the essential oils was also very low. Based on our results, M. piperata and M. pulegium essential oils and the pathogenic fungus L. muscarium have some potential for management of A. gossypii. © The Authors 2017. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  14. Flavonoid glycosides from leaves and straw of Oryza sativa and their effects of cytotoxicity on a macrophage cell line and allelopathic on weed germination

    Directory of Open Access Journals (Sweden)

    Ill-Min Chung

    2018-03-01

    Full Text Available Five new flavonoids namely, 5-hydroxy-6-isoprenyl-7,4′-dimethoxyflavonol-3-O-β-d-arabinofuranoside (1, 5,7-dihydroxy-4′-methoxyflavone-7-O-β-d-arabinopyranosyl-2′′-n-decan-1′′′-oate (2, 3-butanoyl-5,6,8-trihydroxy-7,4′-dimethoxyflavonol--5-O-β-d-glucopyranoside (3, 7, 4′-dimethoxy-5-hydroxyflavone-5-O-α-d-arabinopyranosyl-(2′′ → 1′′′-O-α-d-arabinopyranoside (4, and 5,6-dihydroxy-7, 4′-dimethoxyflavone-5-O-α-d-glucopyranoside (5, together with two known compounds, were isolated from the methanol extract of Oryza sativa leaves and straw. Their structures of new compounds were elucidated by 1D and 2D NMR spectral methods, viz: COSY, HMBC and HSQC aided by mass techniques and IR spectroscopy. The cytotoxicity of these compounds (1–7 were assessed by using (RAW 264.7 mouse macrophages cell line, and allelopathic effects of compounds (1–7 on the germination characteristics of barnyardgrass (Echinochloa oryzicola and pigweed (Chenopodium album L. were also evaluated. The compounds 1, 6 and 7 showed cytotoxicity and compounds 1–7 exhibited significant inhibitory activity on the seed germination of two weed species.

  15. Enhanced Production and Characterization of a Solvent Stable Amylase from Solvent Tolerant Bacillus tequilensis RG-01: Thermostable and Surfactant Resistant

    Directory of Open Access Journals (Sweden)

    Soni Tiwari

    2014-01-01

    Full Text Available Ten bacterial strains isolated from the soil samples in the presence of cyclohexane were screened for amylase production. Among them, culture RG-01 was adjudged as the best amylase producer and was identified as Bacillus tequilensis from MTCC, Chandigarh. The isolate showed maximum amylase production (8100 U/mL in the presence of starch, peptone, and Ca2+ ions at 55°C pH 7.0 within 24 h of incubation. The enzyme was stable in the presence of n-dodecane, isooctane, n-decane, xylene, toluene, n-hexane, n-butanol, and cyclohexane, respectively. The presence of benzene, methanol, and ethanol marginally reduced the amylase stability, respectively. The enzyme was showed it 100% activity at 55°C and pH 7.0 with 119% and 127% stability at 55°C and pH 7.0, respectively. The enzyme was also stable in the presence of SDS, Tween-40, Tween-60, and Tween-80 (1% and was found stimulatory effect, respectively. Only Triton-X-100 showed a moderate inhibitory effect (5% on amylase activity. This isolate (Bacillus tequilensis RG-01 may be useful in several industrial applications owing to its thermotolerant and organic solvents and surfactants resistance characteristics.

  16. Effects of chain length, chlorination degree, and structure on the octanol-water partition coefficients of polychlorinated n-alkanes.

    Science.gov (United States)

    Hilger, Bettina; Fromme, Hermann; Völkel, Wolfgang; Coelhan, Mehmet

    2011-04-01

    Log octanol-water partition coefficients (log Kow) of 40 synthesized polychlorinated n-alkanes (PCAs) with different chlorination degrees were determined using reversed-phase high performance liquid chromatography (RP-HPLC). In addition, log Kow values of a technical mixture namely Cereclor 63L as well as 15 individual in house synthesized C10, C11, and C12 chloroalkanes with known chlorine positions were estimated. Based on these results, the effects of chain length, chlorination degree, and structure were explored. The estimated log Kow values ranged from 4.10 (polychlorinated n-decanes with 50.2% chlorine content) to 11.34 (polychlorinated n-octacosanes with 54.8% chlorine content) for PCAs and from 3.82 (1,2,5,6,9,10-hexachlorodecane) to 7.75 (1,1,1,3,9,11,11,11-octachlorododecane) for the individual chloroalkanes studied. The results showed that log Kow value was influenced linearly at a given chlorine content by chain length, while a polynominal effect was observed in dependence on the chlorination degree of an alkane chain. Chlorine substitution pattern influenced markedly the log Kow value of chloroalkanes.

  17. Electrospun PVDF fibers and a novel PVDF/CoFe2O4 fibrous composite as nanostructured sorbent materials for oil spill cleanup

    Science.gov (United States)

    Dorneanu, Petronela Pascariu; Cojocaru, Corneliu; Olaru, Niculae; Samoila, Petrisor; Airinei, Anton; Sacarescu, Liviu

    2017-12-01

    In this work, pure polyvinylidene fluoride (PVDF) and PVDF/cobalt ferrite (CoFe2O4) magnetic fibrous composite were successfully prepared by electrospinning method for oil spill sorption applications. The pure spinel phase of CoFe2O4 and PVDF/CoFe2O4 composites were confirmed by X-ray diffraction analysis (XRD). Electrospun sorbent materials were characterized by scanning and transmission electron microscopy (SEM and TEM) as well as by contact angle measurements. In addition, the composite sorbent (PVDF/CoFe2O4) was characterized by magnetic measurements. It revealed good magnetic properties that are of real interest to facilitate the separation of the oil-loaded sorbent under the external magnetic field. Finally, the produced electrospun sorbents were tested for sorption of oily liquids, such as: decane, dodecane and commercial motor oils. We obtained good oil sorption capacity (between 9.751-23.615 g/g of pure PVDF) and (8.133-18.074 g/g for the magnetic composite) depending on the nature of oil tested. The present electrospun magnetic PVDF/CoFe2O4 fibrous composite could be potentially useful for the efficient removal of oil in water and recovery of sorbent material.

  18. Immobilization of Colloidal Monolayers at Fluid–Fluid Interfaces

    Directory of Open Access Journals (Sweden)

    Peter T. Bähler

    2016-07-01

    Full Text Available Monolayers of colloidal particles trapped at an interface between two immiscible fluids play a pivotal role in many applications and act as essential models in fundamental studies. One of the main advantages of these systems is that non-close packed monolayers with tunable inter-particle spacing can be formed, as required, for instance, in surface patterning and sensing applications. At the same time, the immobilization of particles locked into desired structures to be transferred to solid substrates remains challenging. Here, we describe three different strategies to immobilize monolayers of polystyrene microparticles at water–decane interfaces. The first route is based on the leaking of polystyrene oligomers from the particles themselves, which leads to the formation of a rigid interfacial film. The other two rely on in situ interfacial polymerization routes that embed the particles into a polymer membrane. By tracking the motion of the colloids at the interface, we can follow in real-time the formation of the polymer membranes and we interestingly find that the onset of the polymerization reaction is accompanied by an increase in particle mobility determined by Marangoni flows at the interface. These results pave the way for future developments in the realization of thin tailored composite polymer-particle membranes.

  19. Comparison of decomposition characteristics between aromatic and aliphatic VOCs using electron beam

    International Nuclear Information System (INIS)

    Kim, Jo-Chun

    2011-01-01

    The removal efficiency of n-decane (C 10 H 22 ) by electron beam was the highest among aliphatic VOCs of concern, and that of n-hexane (C 6 H 14 ), n-butane (C 4 H 10 ), and methane (CH 4 ) followed. On the other hand, in terms of aromatic VOC decomposition efficiencies, benzene (C 6 H 6 ) decomposition was the lowest and that of toluene (C 7 H 8 ), ethylbenzene (C 8 H 10 ), and p-xylene (C 8 H 10 ) were similar. It was also found that there was increase in by-product (untreated VOC, CO, CO 2 , O 3 , and other compounds) formation as well as all VOC removal efficiencies. It was demonstrated that the removal efficiency of VOC increased as its concentration decreased and the irradiation dose increased. In addition, low removal efficiency was observed because helium was relatively stable compared to the other gases, and nothing but electrons produced by electron accelerator reacted with VOC. It was also found that relative humidity had some effects on the decomposition rates of VOC. The removal efficiency at the 100% RH condition was slightly higher than that at 7.4% RH (dry condition) due to OH radical formation. (author)

  20. Homogeneous droplet nucleation modeled using the gradient theory combined with the PC-SAFT equation of state

    Directory of Open Access Journals (Sweden)

    Vinš Václav

    2013-04-01

    Full Text Available In this work, we used the density gradient theory (DGT combined with the cubic equation of state (EoS by Peng and Robinson (PR and the perturbed chain (PC modification of the SAFT EoS developed by Gross and Sadowski [1]. The PR EoS is based on very simplified physical foundations, it has significant limitations in the accuracy of the predicted thermodynamic properties. On the other hand, the PC-SAFT EoS combines different intermolecular forces, e.g., hydrogen bonding, covalent bonding, Coulombic forces which makes it more accurate in predicting of the physical variables. We continued in our previous works [2,3] by solving the boundary value problem which arose by mathematical solution of the DGT formulation and including the boundary conditions. Achieving the numerical solution was rather tricky; this study describes some of the crucial developments that helped us to overcome the partial problems. The most troublesome were computations for low temperatures where we achieved great improvements compared to [3]. We applied the GT for the n-alkanes: nheptane, n-octane, n-nonane, and n-decane because of the availability of the experimental data. Comparing them with our numerical results, we observed great differences between the theories; the best results gave the combination of the GT and the PC-SAFT. However, a certain temperature drift was observed that is not satisfactorily explained by the present theories.

  1. Cyclohex-1-ene carboxylic acids: synthesis and biological evaluation of novel inhibitors of human 5 alpha reductase.

    Science.gov (United States)

    Baston, Eckhard; Salem, Ola I A; Hartmann, Rolf W

    2003-03-01

    In search of novel nonsteroidal mimics of steroidal inhibitors of 5 alpha reductase, 4-(2-phenylethyl)cyclohex-1-ene carboxylic acids 1-5 were synthesized with different substituents in para position of the phenyl ring (1: N, N-diisopropylcarbamoyl, 2: phenyl, 3: phenoxy, 4: benzoyl, and 5: benzyl). The principal synthetic approach for the desired compounds consisted of a Wittig olefination between 1, 4-dioxaspiro [4.5]-decane-8-carbaldehyde (4g and the appropriate phosphonium salts. The compounds were tested for inhibition of human 5 alpha reductase isozymes 1 and 2 using DU 145 cells and preparations from prostatic tissue, respectively. They turned out to be good inhibitors of the prostatic isozyme 2 with compound 1 being the most potent one (IC(50) = 760 nM). Isozyme 1 was only slightly inhibited. It is concluded that the novel structures are appropriate for being further optimized, aiming at the development of a novel drug for the treatment of benign prostatic hyperplasia.

  2. Inhibition of Pseudogymnoascus destructans growth from conidia and mycelial extension by bacterially produced volatile organic compounds.

    Science.gov (United States)

    Cornelison, Christopher T; Gabriel, Kyle T; Barlament, Courtney; Crow, Sidney A

    2014-02-01

    The recently identified causative agent of white-nose syndrome (WNS), Pseudogymnoascus destructans, has been implicated in the mortality of an estimated 5.5 million North American bats since its initial documentation in 2006 (Frick et al. in Science 329:679-682, 2010). In an effort to identify potential biological and chemical control options for WNS, 6 previously described bacterially produced volatile organic compounds (VOCs) were screened for anti-P. destructans activity. The compounds include decanal; 2-ethyl-1-hexanol; nonanal; benzothiazole; benzaldehyde; andN,N-dimethyloctylamine. P. destructans conidia and mycelial plugs were exposed to the VOCs in a closed air space at 15 and 4 °C and then evaluated for growth inhibition. All VOCs inhibited growth from conidia as well as inhibiting radial mycelial extension, with the greatest effect at 4 °C. Studies of the ecology of fungistatic soils and the natural abundance of the fungistatic VOCs present in these environments suggest a synergistic activity of select VOCs may occur. The evaluation of formulations of two or three VOCs at equivalent concentrations was supportive of synergistic activity in several cases. The identification of bacterially produced VOCs with anti-P. destructans activity indicates disease-suppressive and fungistatic soils as a potentially significant reservoir of biological and chemical control options for WNS and provides wildlife management personnel with tools to combat this devastating disease.

  3. Holdup of O/W emulsion in a packed column for liquid membrane separation of hydrocarbon; Tankasuiso no ekimaku bunri ni okeru jutento nai no emarushon horudo appu

    Energy Technology Data Exchange (ETDEWEB)

    Egashira, R.; Sugimoto, T.; Kawasaki, J. [Tokyo Inst. of Technology, Tokyo (Japan). Faculty of Engineering

    1993-07-10

    Liquid membrane separation of hydrocarbon is an energy saving separation method that is expected of practical use. If the method uses a packed column, the holdup of O/W emulsion affects the effective contact area and residence time of the emulsion. Therefore, this paper describes an attempt to correlate the dynamic emulsion holdup in a packed column in liquid membrane separation of hydrocarbon with property values of the emulsion and external oil phase, and operation variables. The experiment used a mixture of toluene + n - heptane + n - decane for oil phase in the O/W emulsion and saponin aqueous solution for liquid phase (liquid membrane phase). The packed column with an inner diameter of 37 mm used stainless steel McMahon packing. As a result of the experiment, the dynamic emulsion holdup showed a correlation according to the Reynolds number and Galilei number, regardless of whether the emulsion permeates the liquid membrane. The correlation made it possible to estimate in a simple manner the emulsion holdup in the packed column when this separation method is used. 5 refs., 3 figs., 3 tabs.

  4. High pressure combustion of liquid fuels. [alcohol and n-paraffin fuels

    Science.gov (United States)

    Canada, G. S.

    1974-01-01

    Measurements were made of the burning rates and liquid surface temperatures for a number of alcohol and n-paraffin fuels under natural and forced convection conditions. Porous spheres ranging in size from 0.64-1.9 cm O.D. were emloyed to simulate the fuel droplets. The natural convection cold gas tests considered the combustion in air of methanol, ethanol, propanol-1, n-pentane, n-heptane, and n-decane droplets at pressures up to 78 atmospheres. The pressure levels of the natural convection tests were high enough so that near critical combustion was observed for methanol and ethanol vaporization rates and liquid surface temperature measurements were made of droplets burning in a simulated combustion chamber environment. Ambient oxygen molar concentrations included 13%, 9.5% and pure evaporation. Fuels used in the forced convection atmospheric tests included those listed above for the natural convection tests. The ambient gas temperature ranged from 600 to 1500 K and the Reynolds number varied from 30 to 300. The high pressure forced convection tests employed ethanol and n-heptane as fuels over a pressure range of one to 40 atmospheres. The ambient gas temperature was 1145 K for the two combustion cases and 1255 K for the evaporation case.

  5. Volatile Profiling of Aromatic Traditional Medicinal Plant, Polygonum minus in Different Tissues and Its Biological Activities

    Directory of Open Access Journals (Sweden)

    Rafidah Ahmad

    2014-11-01

    Full Text Available The aim of this research was to identify the volatile metabolites produced in different organs (leaves, stem and roots of Polygonum minus, an important essential oil producing crop in Malaysia. Two methods of extraction have been applied: Solid Phase Microextraction (SPME and hydrodistillation coupled with Gas Chromatography-Mass Spectrometry (GC-MS. Approximately, 77 metabolites have been identified and aliphatic compounds contribute significantly towards the aroma and flavour of this plant. Two main aliphatic compounds: decanal and dodecanal were found to be the major contributor. Terpenoid metabolites were identified abundantly in leaves but not in the stem and root of this plant. Further studies on antioxidant, total phenolic content, anticholinesterase and antimicrobial activities were determined in the essential oil and five different extracts. The plant showed the highest DPPH radical scavenging activity in polar (ethanol extract for all the tissues tested. For anti-acetylcholinesterase activity, leaf in aqueous extract and methanol extract showed the best acetylcholinesterase inhibitory activities. However, in microbial activity, the non-polar extracts (n-hexane showed high antimicrobial activity against Methicillin-resistant Staphylococcus aureus (MRSA compared to polar extracts. This study could provide the first step in the phytochemical profiles of volatile compounds and explore the additional value of pharmacology properties of this essential oil producing crop Polygonum minus.

  6. Computational/experimental studies of isolated, single component droplet combustion

    Science.gov (United States)

    Dryer, Frederick L.

    1993-01-01

    Isolated droplet combustion processes have been the subject of extensive experimental and theoretical investigations for nearly 40 years. The gross features of droplet burning are qualitatively embodied by simple theories and are relatively well understood. However, there remain significant aspects of droplet burning, particularly its dynamics, for which additional basic knowledge is needed for thorough interpretations and quantitative explanations of transient phenomena. Spherically-symmetric droplet combustion, which can only be approximated under conditions of both low Reynolds and Grashof numbers, represents the simplest geometrical configuration in which to study the coupled chemical/transport processes inherent within non-premixed flames. The research summarized here, concerns recent results on isolated, single component, droplet combustion under microgravity conditions, a program pursued jointly with F.A. Williams of the University of California, San Diego. The overall program involves developing and applying experimental methods to study the burning of isolated, single component droplets, in various atmospheres, primarily at atmospheric pressure and below, in both drop towers and aboard space-based platforms such as the Space Shuttle or Space Station. Both computational methods and asymptotic methods, the latter pursued mainly at UCSD, are used in developing the experimental test matrix, in analyzing results, and for extending theoretical understanding. Methanol, and the normal alkanes, n-heptane, and n-decane, have been selected as test fuels to study time-dependent droplet burning phenomena. The following sections summarizes the Princeton efforts on this program, describe work in progress, and briefly delineate future research directions.

  7. Chemical composition and antimicrobial activity of the essential oil from the edible aromatic plant Aristolochia delavayi.

    Science.gov (United States)

    Li, Zhi-Jian; Njateng, Guy S S; He, Wen-Jia; Zhang, Hong-Xia; Gu, Jian-Long; Chen, Shan-Na; Du, Zhi-Zhi

    2013-11-01

    The essential oil obtained by hydrodistillation from the aerial parts of Aristolochia delavayi Franch. (Aristolochiaceae), a unique edible aromatic plant consumed by the Nakhi (Naxi) people in Yunnan, China, was investigated using GC/MS analysis. In total, 95 components, representing more than 95% of the oil composition, were identified, and the main constituents found were (E)-dec-2-enal (52.0%), (E)-dodec-2-enal (6.8%), dodecanal (3.35%), heptanal (2.88%), and decanal (2.63%). The essential oil showed strong inhibitory activity (96% reduction) of the production of bacterial volatile sulfide compounds (VSC) by Klebsiella pneumoniae, an effect that was comparable with that of the reference compound citral (91% reduction). Moreover, the antimicrobial activity of the essential oil and the isolated major compound against eight bacterial and six fungal strains were evaluated. The essential oil showed significant antibacterial activity against Providencia stuartii and Escherichia coli, with minimal inhibitory concentrations (MIC) ranging from 3.9 to 62.5 μg/ml. The oil also showed strong inhibitory activity against the fungal strains Trichophyton ajelloi, Trichophyton terrestre, Candida glabrata, Candida guilliermondii, and Cryptococcus neoformans, with MIC values ranging from 3.9 to 31.25 μg/ml, while (E)-dec-2-enal presented a lower antifungal activity than the essential oil. Copyright © 2013 Verlag Helvetica Chimica Acta AG, Zürich.

  8. Engineering Behavior and Characteristics of Water-Soluble Polymers: Implication on Soil Remediation and Enhanced Oil Recovery

    Directory of Open Access Journals (Sweden)

    Shuang Cindy Cao

    2016-02-01

    Full Text Available Biopolymers have shown a great effect in enhanced oil recovery because of the improvement of water-flood performance by mobility control, as well as having been considered for oil contaminated-soil remediation thanks to their mobility control and water-flood performance. This study focused on the wettability analysis of biopolymers such as chitosan (85% deacetylated power, PEO (polyethylene oxide, Xanthan (xanthan gum, SA (Alginic Acid Sodium Salt, and PAA (polyacrylic acid, including the measurements of contact angles, interfacial tension, and viscosity. Furthermore, a micromodel study was conducted to explore pore-scale displacement phenomena during biopolymer injection into the pores. The contact angles of biopolymer solutions are higher on silica surfaces submerged in decane than at atmospheric conditions. While interfacial tensions of the biopolymer solutions have a relatively small range of 25 to 39 mN/m, the viscosities of biopolymer solutions have a wide range, 0.002 to 0.4 Pa·s, that dramatically affect both the capillary number and viscosity number. Both contact angles and interfacial tension have effects on the capillary entry pressure that increases along with an applied effective stress by overburden pressure in sediments. Additionally, a high injection rate of biopolymer solutions into the pores illustrates a high level of displacement ratio. Thus, oil-contaminated soil remediation and enhanced oil recovery should be operated in cost-efficient ways considering the injection rates and capillary entry pressure.

  9. J-aggregation, its impact on excited state dynamics and unique solvent effects on macroscopic assembly of a core-substituted naphthalenediimide

    KAUST Repository

    Kar, Haridas

    2015-03-12

    Herein we reveal a straightforward supramolecular design for the H-bonding driven J-aggregation of an amine-substituted cNDI in aliphatic hydrocarbons. Transient absorption spectroscopy reveals sub-ps intramolecular electron transfer in isolated NDI molecules in a THF solution followed by a fast recombination process, while a remarkable extension of the excited state lifetime by more than one order of magnitude occurred in methylcyclohexane likely owing to an increased charge-separation as a result of better delocalization of the charge-separated states in J-aggregates. We also describe unique solvent-effects on the macroscopic structure and morphology. While J-aggregation with similar photophysical characteristics was noticed in all the tested aliphatic hydrocarbons, the morphology strongly depends on the “structure” of the solvents. In linear hydrocarbons (n-hexane, n-octane, n-decane or n-dodecane), formation of an entangled fibrillar network leads to macroscopic gelation while in cyclic hydrocarbons (methylcyclohexane or cyclohexane) although having a similar polarity, the cNDI exhibits nanoscale spherical particles. These unprecedented solvent effects were rationalized by establishing structure-dependent specific interactions of the solvent molecules with the cNDI which may serve as a general guideline for solvent-induced morphology-control of structurally related self-assembled materials.

  10. SiCO-doped carbon fibers with unique dual superhydrophilicity/superoleophilicity and ductile and capacitance properties.

    Science.gov (United States)

    Lu, Ping; Huang, Qing; Mukherjee, Amiya; Hsieh, You-Lo

    2010-12-01

    Silicon oxycarbide (SiCO) glass-doped carbon fibers with an average diameter of 163 nm were successfully synthesized by electrospinning polymer mixtures of preceramic precursor polyureasilazane (PUS) and carbon precursor polyacrylonitrile (PAN) into fibers then converting to ceramic/carbon hybrid via cross-linking, stabilization, and pyrolysis at temperatures up to 1000 °C. The transformation of PUS/PAN polymer precursors to SiCO/carbon structures was confirmed by EDS and FTIR. Both carbon and SiCO/carbon fibers were amorphous and slightly oxidized. Doping with SiCO enhanced the thermal stability of carbon fibers and acquired new ductile behavior in the SiCO/carbon fibers with significantly improved flexibility and breaking elongation. Furthermore, the SiCO/carbon fibers exhibited dual superhydrophilicity and superoleophilicity with water and decane absorbing capacities of 873 and 608%, respectively. The cyclic voltammetry also showed that SiCO/carbon composite fibers possess better capacitor properties than carbon fibers.

  11. Charge transport behavior of benodithiophene-diketopyrrololpyrrole-based conjugated polymer in organic field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jin Kuen [Dept. of Chemistry, Hankuk University of Foreign Studies, Yongin (Korea, Republic of)

    2015-07-15

    Organic optoelectronic devices, such as light-emitting diodes, organic solar cells (OSCs), and organic field effect transistors (OFETs), have emerged due to the development of π-conjugated polymers. Because the delocalized π-framework can significantly reduce the energy gap between the highest-occupied molecular orbital (HOMO) and the lowest-unoccupied molecular orbital (LUMO), their intrinsic optoelectronic properties can be tunable with their conjugation length in terms of average molecular weights and their π-backbone structures. The new type of low bandgap conjugated polymer (P1) has been successively polymerized via a palladium- catalyzed Stille cross-coupling reaction with bis-ethylhexyl BDT and bis-n-decane DPP. With a linear alkyl chain in the DPP units, the intermolecular packing structure was thought to be enhanced by proving the UV–Vis and UPS spectra. In addition, the electronic properties of P1 via field-effect transistors well illustrate the typical p-type semiconducting property without showing the significant improvement by thermal annealing. From a broader perspective, this research indicates that a wider choice of linear alkyl chain length in DPP units and modification of the interface between dielectric and active layers should be sought to further optimize device performance. Hence, progressive works with the strategy presented in this report will be pursued to address the different challenges in attaining target OFET performances.

  12. THE EVOLUTION OF CANALIZATION AND THE BREAKING OF VON BAER'S LAWS: MODELING THE EVOLUTION OF DEVELOPMENT WITH EPISTASIS.

    Science.gov (United States)

    Rice, Sean H

    1998-06-01

    Evolution can change the developmental processes underlying a character without changing the average expression of the character itself. This sort of change must occur in both the evolution of canalization, in which a character becomes increasingly buffered against genetic or developmental variation, and in the phenomenon of closely related species that show similar adult phenotypes but different underlying developmental patterns. To study such phenomena, I develop a model that follows evolution on a surface representing adult phenotype as a function of underlying developmental characters. A contour on such a "phenotype landscape" is a set of states of developmental characters that produce the same adult phenotype. Epistasis induces curvature of this surface, and degree of canalization is represented by the slope along a contour. I first discuss the geometric properties of phenotype landscapes, relating epistasis to canalization. I then impose a fitness function on the phenotype and model evolution of developmental characters as a function of the fitness function and the local geometry of the surface. This model shows how canalization evolves as a population approaches an optimum phenotype. It further shows that under some circumstances, "decanalization" can occur, in which the expression of adult phenotype becomes increasingly sensitive to developmental variation. This process can cause very similar populations to diverge from one another developmentally even when their adult phenotypes experience identical selection regimes. © 1998 The Society for the Study of Evolution.

  13. Aroma Volatile Compounds from Two Fresh Pineapple Varieties in China

    Science.gov (United States)

    Zheng, Liang-Yong; Sun, Guang-Ming; Liu, Yu-Ge; Lv, Ling-Ling; Yang, Wen-Xiu; Zhao, Wei-Feng; Wei, Chang-Bin

    2012-01-01

    Volatile compounds from two pineapples varieties (Tainong No.4 and No.6) were isolated by headspace solid phase microextraction (HS-SPME) and identified and quantified by gas chromatography-mass spectrometry (GC/MS). In the Tainong No. 4 and No. 6 pineapples, a total of 11 and 28 volatile compounds were identified according to their retention time on capillary columns and their mass spectra, and quantified with total concentrations of 1080.44 μg·kg−1 and 380.66 μg·kg−1 in the Tainong No.4 and No. 6 pineapples, respectively. The odor active values (OAVs) of volatile compounds from pineapples were also calculated. According to the OAVs, four compounds were defined as the characteristic aroma compounds for the Tainong No. 4 pineapple, including furaneol, 3-(methylthio)propanoic acid methyl ester, 3-(methylthio)propanoic acid ethyl ester and δ-octalactone. The OAVs of five compounds including ethyl-2-methylbutyrate, methyl-2-methylbutyrate, 3-(methylthio)propanoic acid ethyl ester, ethyl hexanoate and decanal were considered to be the characteristic aroma compounds for the Tainong No. 6 pineapple. PMID:22837701

  14. Comparison of decomposition characteristics between aromatic and aliphatic VOCs using electron beam

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jo-Chun [Department of Environmental Engineering, Konkuk University, Seoul (Korea, Republic of)

    2011-07-01

    The removal efficiency of n-decane (C{sub 10}H{sub 22}) by electron beam was the highest among aliphatic VOCs of concern, and that of n-hexane (C{sub 6}H{sub 14}), n-butane (C{sub 4}H{sub 10}), and methane (CH{sub 4}) followed. On the other hand, in terms of aromatic VOC decomposition efficiencies, benzene (C{sub 6}H{sub 6}) decomposition was the lowest and that of toluene (C{sub 7}H{sub 8}), ethylbenzene (C{sub 8}H{sub 10}), and p-xylene (C{sub 8}H{sub 10}) were similar. It was also found that there was increase in by-product (untreated VOC, CO, CO{sub 2}, O{sub 3}, and other compounds) formation as well as all VOC removal efficiencies. It was demonstrated that the removal efficiency of VOC increased as its concentration decreased and the irradiation dose increased. In addition, low removal efficiency was observed because helium was relatively stable compared to the other gases, and nothing but electrons produced by electron accelerator reacted with VOC. It was also found that relative humidity had some effects on the decomposition rates of VOC. The removal efficiency at the 100% RH condition was slightly higher than that at 7.4% RH (dry condition) due to OH radical formation. (author)

  15. Analysis of energy cascade utilization in a chemically recuperated scramjet with indirect combustion

    International Nuclear Information System (INIS)

    Qin, Jiang; Cheng, Kunlin; Zhang, Silong; Zhang, Duo; Bao, Wen; Han, Jiecai

    2016-01-01

    The working process of scramjet with regenerative cooling, which was actually the chemical recuperation process, was analyzed in view of energy cascade utilization. The indirect combustion was realized through pyrolysis reaction of fuel. The relative yields of thermal exergy obtained by indirect combustion have been predicted both assuming an ideal pyrolysis reaction and using the experimental results of thermal pyrolysis of n-decane. The results showed that the influence mechanism of regenerative cooling improved the scramjet engine performance by the energy cascade utilization, and the combustion process was supposed to be designed with the cooling process together to utilize the chemical energy of fuel in a more effective way. A maximum value of 11% of the relative yield was obtained with the ideal pyrolysis reaction while a value less than 3% existed in the thermal pyrolysis experiments because of the domination of chemical kinetics rather than chemical thermodynamics in the real experiments. In spite of the difference between the ideal and the present experimental results, the indirect combustion was prospective to achieve a better energy cascade utilization in a chemically recuperated scramjet if the pyrolysis reaction was further optimized. The results in this paper were beneficial for the performance optimization of a regenerative cooling scramjet. - Highlights: • A new method of energy cascade utilization in a chemically recuperated scramjet. • 11% exergy loss is reduced by ideal pyrolysis reaction with indirect combustion. • Regenerative cooling with chemical recuperation can improve engine performance.

  16. Dual pore-connectivity and flow-paths affect shale hydrocarbon production

    Science.gov (United States)

    Hu, Q.; Barber, T.; Zhang, Y.; Md Golam, K.

    2017-12-01

    Aided with integrated characterization approaches of droplet contact angle measurement, mercury intrusion capillary pressure, low-pressure gas physisorption, scanning electron microscopy, and small angle neutron scattering, we have systematically studied how pore connectivity and wettability are associated with mineral and organic matter phases of shales (Barnett, Bakken, Eagle Ford), as well as their influence on macroscopic fluid flow and hydrocarbon movement, from the following complementary tests: vacuum saturation with vacuum-pulling on dry shale followed with tracer introduction and high-pressure intrusion, tracer diffusion into fluid-saturated shale, fluid and tracer imbibition into partially-saturated shale, and Wood's metal intrusion followed with imaging and elemental mapping. The first three tests use tracer-bearing fluids (hydrophilic API brine and hydrophobic n-decane) fluids with a suite of wettability tracers of different sizes and reactivities developed in our laboratory. These innovative and integrated approaches indicate a Dalmatian wettability behavior at a scale of microns, limited connectivity (50-100 nm), which is linked to the steep initial decline and low overall recovery because of the limited connection of hydrocarbon molecules in the shale matrix to the stimulated fracture network.

  17. Up to date review of toxicological data of some point volatiles with antifungal activity

    Energy Technology Data Exchange (ETDEWEB)

    Bonsi, P.; Stammati, A. [eds.] [Istituto Superiore di Sanita' , Rome (Italy). Lab. di Tossicologia Comparata ed Ecotossicologia; De Vincenzi, M. [Istituto Superiore di Sanita' , Rome (Italy). Lab. di Metabolismo e Biochimica Patologica; Zucco, F. [Consiglio Nazionale delle Ricerche, Rome (Italy). Ist. di Tecnologie Biomediche

    1999-07-01

    Toxicological cards of the essential oil caraway and ten volatiles compounds components of essential oils, all with fungicide activity, are presented; carvacrol, D-carvone, cinnamaldehyde, 1,8-cineole, p-cymene, decanal, eugenol, 2-hexenal, linalool and thymol. The cards have been prepared in the context of the European Community project FAIR1-CT95-0722, which has the aim of implementing the use of natural pesticides for plant protection during cultivation and storage. Literature data have been collected from 1980, screening different archives (BIOSIS, CAB, CHEMABS, RTECS, MEDLINE) and Council of Europe classifications. [Italian] Il rapporto contiene le schede tossicologiche di un olio essenziale (caraway oil) e di dieci sostanze volatili, componenti di olii essenziali e tutti con attivita' fungicida: carvacrol, D-carvone, cinnamaldehyde, 1, 8-cineole, p-cymene, decanol, eugenol, 2-hexenal, linaool e thymol. Le schede sono state preparate nell'ambito del progetto europeo FAIR1-CT95-0722, che ha lo scopo di sviluppare l'uso di fungicidi naturali per la protezione delle piante durante la coltivazione e lo stoccaggio. Sono stati raccolti i dati della letteratura dal 1980 ad oggi, consultando diversi archivi (BIOSIS, CAB, CHEMABS, RTECS, MEDLINE) e le classificazioni del Consiglio d'Europa.

  18. Evolution of genetic architecture under directional selection.

    Science.gov (United States)

    Hansen, Thomas F; Alvarez-Castro, José M; Carter, Ashley J R; Hermisson, Joachim; Wagner, Günter P

    2006-08-01

    We investigate the multilinear epistatic model under mutation-limited directional selection. We confirm previous results that only directional epistasis, in which genes on average reinforce or diminish each other's effects, contribute to the initial evolution of mutational effects. Thus, either canalization or decanalization can occur under directional selection, depending on whether positive or negative epistasis is prevalent. We then focus on the evolution of the epistatic coefficients themselves. In the absence of higher-order epistasis, positive pairwise epistasis will tend to weaken relative to additive effects, while negative pairwise epistasis will tend to become strengthened. Positive third-order epistasis will counteract these effects, while negative third-order epistasis will reinforce them. More generally, gene interactions of all orders have an inherent tendency for negative changes under directional selection, which can only be modified by higher-order directional epistasis. We identify three types of nonadditive quasi-equilibrium architectures that, although not strictly stable, can be maintained for an extended time: (1) nondirectional epistatic architectures; (2) canalized architectures with strong epistasis; and (3) near-additive architectures in which additive effects keep increasing relative to epistasis.

  19. An ortholog of farA of Aspergillus nidulans is implicated in the transcriptional activation of genes involved in fatty acid utilization in the yeast Yarrowia lipolytica

    International Nuclear Information System (INIS)

    Poopanitpan, Napapol; Kobayashi, Satoshi; Fukuda, Ryouichi; Horiuchi, Hiroyuki; Ohta, Akinori

    2010-01-01

    Research highlights: → POR1 is a Yarrowia lipolytica ortholog of farA involved in fatty acid response in A. nidulans. → Deletion of POR1 caused growth defects on fatty acids. → Δpor1 strain exhibited defects in the induction of genes involved in fatty acid utilization. -- Abstract: The yeast Yarrowia lipolytica effectively utilizes hydrophobic substrates such as fatty acids and n-alkanes. To identify a gene(s) regulating fatty acid utilization in Y. lipolytica, we first studied homologous genes to OAF1 and PIP2 of Saccharomyces cerevisiae, but their disruption did not change growth on oleic acid at all. We next characterized a Y. lipolytica gene, POR1 (primary oleate regulator 1), an ortholog of farA encoding a transcriptional activator that regulates fatty acid utilization in Aspergillus nidulans. The deletion mutant of POR1 was defective in the growth on various fatty acids, but not on glucose, glycerol, or n-hexadecane. It exhibited slight defect on n-decane. The transcriptional induction of genes involved in β-oxidation and peroxisome proliferation by oleate was distinctly diminished in the Δpor1 strains. These data suggest that POR1 encodes a transcriptional activator widely regulating fatty acid metabolism in Y. lipolytica.

  20. Characterization and extraction of volatile compounds from pineapple (Ananas comosus L. Merril processing residues

    Directory of Open Access Journals (Sweden)

    Lília Calheiros de Oliveira Barretto

    2013-12-01

    Full Text Available The aim of this study was to extract and identify volatile compounds from pineapple residues generated during concentrated juice processing. Distillates of pineapple residues were obtained using the following techniques: simple hydrodistillation and hydrodistillation by passing nitrogen gas. The volatile compounds present in the distillates were captured by the solid-phase microextraction technique. The volatile compounds were identified in a system of high resolution gas chromatography system coupled with mass spectrometry using a polyethylene glycol polar capillary column as stationary phase. The pineapple residues constituted mostly of esters (35%, followed by ketones (26%, alcohols (18%, aldehydes (9%, acids (3% and other compounds (9%. Odor-active volatile compounds were mainly identified in the distillate obtained using hydrodistillation by passing nitrogen gas, namely decanal, ethyl octanoate, acetic acid, 1-hexanol, and ketones such as γ-hexalactone, γ-octalactone, δ-octalactone, γ-decalactone, and γ-dodecalactone. This suggests that the use of an inert gas and lower temperatures helped maintain higher amounts of flavor compounds. These data indicate that pineapple processing residue contained important volatile compounds which can be extracted and used as aroma enhancing products and have high potential for the production of value-added natural essences.

  1. Odorant-binding proteins display high affinities for behavioral attractants and repellents in the natural predator Chrysopa pallens.

    Science.gov (United States)

    Li, Zhao-Qun; Zhang, Shuai; Luo, Jun-Yu; Wang, Si-Bao; Dong, Shuang-Lin; Cui, Jin-Jie

    2015-07-01

    Chrysopa pallens is an important natural predator of various pests in many different cropping systems. Understanding the sophisticated olfactory system of insect antennae is crucial for studying the physiological bases of olfaction and could also help enhance the effectiveness of C. pallens in biological control. However, functional studies of the olfactory genes in C. pallens are still lacking. In this study, we cloned five odorant-binding protein (OBP) genes from C. pallens (CpalOBPs). Quantitative RT-PCR results indicated that the five CpalOBPs had different tissue expression profiles. Ligand-binding assays showed that farnesol, farnesene, cis-3-hexenyl hexanoate, geranylacetone, beta-ionone, octyl aldehyde, decanal, nerolidol (Kipallens. Among them, farnesene and its corresponding alcohol, farnesol, elicited remarkable repellent behavioral responses from C. pallens. Our study provides several compounds that could be selected to develop slow-release agents that attract/repel C. pallens and to improve the search for strategies to eliminate insect pests. Copyright © 2015 Elsevier Inc. All rights reserved.

  2. Volatile constituents of redblush grapefruit (Citrus paradisi) and pummelo (Citrus grandis) peel essential oils from Kenya.

    Science.gov (United States)

    Njoroge, Simon Muhoho; Koaze, Hiroshi; Karanja, Paul Nyota; Sawamura, Masayoshi

    2005-12-14

    The volatile constituents of cold-pressed peel essential oils of redblush grapefruit (Citrus paradisi Macfadyen forma Redblush) and pummelo (Citrus grandis Osbeck) from the same locality in Kenya were determined by GC and GC-MS. A total of 67 and 52 compounds, amounting to 97.9 and 98.8% of the two oils, respectively, were identified. Monoterpene hydrocarbons constituted 93.3 and 97.5% in the oils, respectively, with limonene (91.1 and 94.8%), alpha-terpinene (1.3 and 1.8%), and alpha-pinene (0.5%) as the main compounds. Sesquiterpene hydrocarbons constituted 0.4% in each oil. The notable compounds were beta-caryophyllene, alpha-cubebene, and (E,E)-alpha-farnesene. Oxygenated compounds constituted 4.2 and 2.0% of the redblush grapefruit and pummelo oils, respectively, out of which carbonyl compounds (2.0 and 1.3%), alcohols (1.4 and 0.3%), and esters (0.7 and 0.4%) were the major groups. Heptyl acetate, octanal, decanal, citronellal, and (Z)-carvone were the main constituents (0.1-0.5%). Perillene, (E)-carveol, and perillyl acetate occurred in the redblush grapefruit but were absent from the pummelo oil. Nootkatone, alpha- and beta-sinensal, methyl-N-methylanthranilate, and (Z,E)-farnesol were prominent in both oils.

  3. (Semi)volatile organic compounds and microbiological entities in snow during OASIS Barrow 2009

    Science.gov (United States)

    Ariya, P.; Kos, G.

    2009-12-01

    Gregor Kos (1), Nafissa Adechina (2), Dwayne Lutchmann (2) , Roya Mortazavi, and Parisa Ariya* (1), (2) (1) McGill University, Department of Atmospheric and Oceanic Sciences, 805 Sherbrooke Street West, Montreal, Quebec, H3A 2K6, Canada (2) McGill University, Department of Chemistry, 801 Sherbrooke Street West, Montreal, Quebec, H3A 2K6, Canada an active medium for the deposition of (semi-)volatile (bio)organic compounds. We collected surface snow samples during the OASIS Barrow campaign in March 2009 for analysis of semi-volatile organic compounds using solid phase microextraction and gas chromatography with mass spectrometric detection (SPME-GC/MS). Additioal gab samples were taken for analysis of non-methane hydrocarbons in air. More over, we analyzed for microbial species in air and snow. Identifed organic compounds covered a wide range of functionalities andmolecular weigts, including oxygenated reactive speces such as aldehydes (e.g., hexanal to decanal), alcohols (e.g., hexanol, octanol) and aromatic species (e.g., methyl- and ethylbenzenes). Quantification data for selected aromatic species are presented with concentrations in the upper ng/L range. We will present our preliminary data on microbiological species, and will discuss the potential mplications of the results for organic snow chemistry.

  4. Bulk viscosity of molecular fluids

    Science.gov (United States)

    Jaeger, Frederike; Matar, Omar K.; Müller, Erich A.

    2018-05-01

    The bulk viscosity of molecular models of gases and liquids is determined by molecular simulations as a combination of a dilute gas contribution, arising due to the relaxation of internal degrees of freedom, and a configurational contribution, due to the presence of intermolecular interactions. The dilute gas contribution is evaluated using experimental data for the relaxation times of vibrational and rotational degrees of freedom. The configurational part is calculated using Green-Kubo relations for the fluctuations of the pressure tensor obtained from equilibrium microcanonical molecular dynamics simulations. As a benchmark, the Lennard-Jones fluid is studied. Both atomistic and coarse-grained force fields for water, CO2, and n-decane are considered and tested for their accuracy, and where possible, compared to experimental data. The dilute gas contribution to the bulk viscosity is seen to be significant only in the cases when intramolecular relaxation times are in the μs range, and for low vibrational wave numbers (<1000 cm-1); This explains the abnormally high values of bulk viscosity reported for CO2. In all other cases studied, the dilute gas contribution is negligible and the configurational contribution dominates the overall behavior. In particular, the configurational term is responsible for the enhancement of the bulk viscosity near the critical point.

  5. Operational experience of gaseous effluent treatment at the Eurochemic reprocessing plant

    International Nuclear Information System (INIS)

    Osipenco, A.; Detilleux, E.

    1977-01-01

    The EUROCHEMIC fuel reprocessing plant applies the PUREX flow sheet. Two particular features of the plant influence gaseous and liquid effluents: chemical decanning and the ability to process a wide range of fuels, uranium metal or oxide, having an initial enrichment typical of power reactors (up to 5%) or material testing reactors (up to 93%). The ventilation circuits, treatment plant and monitoring equipment for gaseous releases are briefly described. No retention facilities for rare gases, tritium, or carbon-14 are provided. The releases are monitored for krypton-85, iodine-131, alpha and beta-gamma aerosols and tritium. Between 1966 and 1974 the plant processes about 200 tonnes of power reactor fuel, from which about 0.7 tonnes of plutonium and 1.5 tonnes of highly enriched uranium were separated. The most important points in the operation of the gas cleaning equipment are indicated: efficiency, operational reliability, incidents, etc.. Actual discharges as measured are compared with the limits set in the operation licence. Using the atmospheric diffusion coefficients, the dose commitment is estimated. The low level liquid effluents are passed, after neutralization, to the treatment plant of the Belgian nuclear center CEN/SCK. However, if the activity exceeds the limit set by the CEN/SCK, the effluents are concentrated by evaporation and stored on the EUROCHEMIC site. (orig.) [de

  6. Study of the efectiveness of the mixed solvents for radically removing thiophenes from benzene and toluene by extractive rectification

    Energy Technology Data Exchange (ETDEWEB)

    Miroshnicenko, A.A.; Fedosyuk, A.A.

    1981-01-01

    A study has been made of the selectivity of solvents under the conditions of liquid-liquid equilibrium in the systems which include thiophene, benzene, toluene, the polar solvent and n-decane. The presence of the latter has maintained the heterogeneity of the mixtures being studied. The systems under consideration were drawn up in volumetric ratios. Equilibrium was studied in thermostat units. The equilibrium phases were analyzed by a special method, while the coefficient of the relative distribution of the components with respect to selectivity was calculated by the known relations. The investigations of the systems with different solvents have shown that there are functionally selective classes of extractants in which selectivity is determined by free unsubstituted functional groups of a solvent. The growth of the selectivity of solvents according to the following classes has been observed: aprotic ones with a keto group < protic ones with a hydroxyl < < unsubstituted amides of acids < sulphones < sulphoxides. To study the liquid-vapor equilibrium, use was made of the most selective extractants (including DMSO, Pyrrolidone-2, carbamide, ethylene carbamide, and NMP) which were revealed earlier in extraction investigations. Since the most selective representative of acid amides, namely, ethylene carbamide and carbamide, are solids, they were studied in mixtures with the less selective liquid solvents of NMP and pyrrolidone-2. NMP-ethylene-carbamide-water and pyrrolidone-2-ethylene carbamida-water are the most selective mixed solvents, and preference is given to the latter one.

  7. Influence of processing on the volatile profile of strawberry spreads made with isomaltulose.

    Science.gov (United States)

    Peinado, I; Rosa, E; Heredia, A; Escriche, I; Andrés, A

    2013-05-01

    A new strawberry spread formulated with fructose and isomaltulose (replacing sucrose partially or totally) and a high percentage of fruit was developed in line with the new trend of healthier products. This work studies the influence of some process variables (percentage of sugar, pectin and citric acid, and time of thermal treatment) on the volatile profile of these spreads with different formulations. The ripeness of the raw strawberries influences the concentrations of some of the compounds in the spreads, such as isobutyl acetate, butyl butyrate, 3-hexen-1-yl acetate or propan-2-ol. The process conditions have an important effect on the volatile profiles. Most of the esters and alcohols decreased whereas 13 new compounds appear, mostly furans (furfural, 2-acetylfurane, 5-methyl furfural, mesifurane) and aldehydes (octanal, nonanal, decanal and benzaldeyhde). In general, the spreads formulated with sucrose-isomaltulose that contained higher levels of pectin and citric acid gave better results in the preservation of the original aromatic compounds in raw strawberries. Copyright © 2012 Elsevier Ltd. All rights reserved.

  8. Nitrogen fixation in arctic marine sediments: effect of oil and hydrocarbon fractions

    Energy Technology Data Exchange (ETDEWEB)

    Knowles, R; Wishart, C

    1977-06-01

    Nitrogen fixation (acetylene reduction) was measured in grab and core samples of sediments from the Beaufort Sea and Eskimo Lakes, Northwest Territories, Canada. Very low rates (about 25 mg N/m/sup 2/.year) were detected in untreated sediments. Activity was markedly stimulated by the addition of glucose, sucrose, lactose, mannitol and malate but much less so by acetate; negligible activity was supported by N-acetylglucosamine. There was no consistent effect of the presence or absence of oxygen. Nitrogen fixation potentials in glucose-supplemented sediment samples showed large variation between stations, between samples from the same station and between depths within single cores down to 18 cm. Weathered Normal Wells crude oil, hexane, decane, dodecane and hexadecane had no effect, stimulatory or inhibitory, on nitrogen fixation or carbon dioxide evolution. 1,2,4-trimethylbenzene caused complete inhibition of nitrogen fixation but only partial inhibition of CO/sub 2/ evolution. There was no evidence of utilization of any of the hydrocarbons tested during periods of over 30 days under the experimental conditions employed.

  9. Dispersant optimization using design of experiments for SiC/vinyl ester nanocomposites

    Science.gov (United States)

    Yong, Virginia; Hahn, H. Thomas

    2005-04-01

    The effect of dispersants on particle dispersion and flexural properties of SiC/vinyl ester nanocomposites was studied by factorial and response surface designs. The results show that the coupling agent 'gamma-methacryloxy propyl trimethoxy silane (MPS)' has no adverse side effect on the flexural properties as illustrated by the good correlation between maximizing the flexural strength and minimizing the agglomerates. However, the dispersant 'BYK-W 966' has a slight adverse side effect on the flexural properties although it improves dispersion at higher dosage. With an optimal dosage of MPS and W966, a small amount of SiC in 0.5 wt% results in 8% increase in strength and 14% increase in modulus. The flushing operation using the dispersant '1-octanol/decane' achieves an excellent SiC dispersion but it does not result in improved flexural properties. This confirmed that a better state of nanoparticle dispersion does not necessarily lead to improved flexural properties. A good dispersion coupling with a strong filler/matrix interfacial bonding is the key to obtain enhanced flexural properties.

  10. Distribution of dearomatised white spirit in brain, blood, and fat tissue after repeated exposure of rats

    DEFF Research Database (Denmark)

    Lof, A.; Lam, Henrik Rye; Gullstrand, E.

    1999-01-01

    Petroleum products with low content of aromatics have been increasingly used during the past years. This study investigates tissue disposition of dearomatised white spirit. In addition, brain neurotransmitter concentrations were measured. Male rats were exposed by inhalation to 0, 400 (2.29 mg....../l), or 800 p.p.m. (4.58 mg/l) of dearomatised white spirit, 6 hr/day, 5 days/week up to 3 weeks. Five rats from each group were sacrificed immediately after the exposure for 1, 2, or 3 weeks and 2, 4, 6, or 24 hr after the end of 3 weeks' exposure. After 3 weeks of exposure the concentration of total white...... spirit was 1.5 and 5.6 mg/kg in blood; 7.1 and 17.1 mg/kg in brain; 432 and 1452 mg/kg in fat tissue at the exposure levels of 400 and 800 p.p.m., respectively. The concentrations of n-nonane, n-decane, n-undecane, and total white spirit in blood and brain were not affected by the duration of exposure...

  11. Evaporation of Sunscreen Films: How the UV Protection Properties Change.

    Science.gov (United States)

    Binks, Bernard P; Brown, Jonathan; Fletcher, Paul D I; Johnson, Andrew J; Marinopoulos, Ioannis; Crowther, Jonathan M; Thompson, Michael A

    2016-06-01

    We have investigated the evaporation of thin sunscreen films and how the light absorption and the derived sun protection factor (SPF) change. For films consisting of solutions of common UV filters in propylene glycol (PG) as solvent, we show how evaporation generally causes three effects. First, the film area can decrease by dewetting leading to a transient increase in the average film thickness. Second, the film thins by evaporative loss of the solvent. Third, precipitation of the UV filter occurs when solvent loss causes the solubility limit to be reached. These evaporation-induced changes cause the UV absorbance of the film to decrease with resultant loss of SPF over the time scale of the evaporation. We derive an approximate model which accounts semiquantitatively for the variation of SPF with evaporation. Experimental results for solutions of different UV filters on quartz, different skin mimicking substrates, films with added nanoparticles, films with an added polymer and films with fast-evaporating decane as solvent (instead of slow evaporating PG) are discussed and compared with model calculations. Addition of either nanoparticles or polymer suppress film dewetting. Overall, it is hoped that the understanding gained about the mechanisms whereby film evaporation affects the SPF will provide useful guidance for the formulation of more effective sunscreens.

  12. Macroscopic investigation of water volume effects on interfacial dynamic behaviors between clathrate hydrate and water.

    Science.gov (United States)

    Cha, Minjun; Couzis, Alexander; Lee, Jae W

    2013-05-14

    This study investigated the effects of the water volume on the interfacial dynamics between cyclopentane (CP) hydrate and water droplet in a CP/n-decane oil mixture. The adhesion force between CP hydrate and various water droplets was determined using the z-directional microbalance. Through repetition of precise measurements over several cycles from contact to detachment, we observed abnormal wetting behaviors in the capillary bridge during the retraction process when the water drop volume is larger than 100 μL. With the increase in water droplet volumes, the contact force between CP hydrate and water also increases up to 300 μL. However, there is a dramatic reduction of increasing rate in the contact forces over 300 μL of water droplet. With the addition of the surfactants of sodium dodecyl sulfate (SDS) and dodecyltrimethylammonium bromide (DTAB) to the water droplet, the contact force between CP hydrate and solution droplet exhibits a lower value and a transition volume of the contact force comes with a smaller solution volume of 200 μL. The water volume effects on the liquid wetting of the probe and the size of capillary bridges provide important insight into hydrate growth and aggregation/agglomeration in the presence of free water phase inside gas/oil pipelines.

  13. Remediation of flare pit soils using supercritical fluid extraction

    Energy Technology Data Exchange (ETDEWEB)

    Nagpal, V.; Guigard, S.E. [Alberta Univ., Edmonton, AB (Canada). Dept. of Civil Engineering

    2005-09-01

    A laboratory study was conducted to examine the ability of supercritical fluid extraction (SFE) to remove petroleum hydrocarbons (PHCs) from two flare pit soils in Alberta. SFE is a technology for remediation of contaminated soils. In order to determine the optimal extraction conditions and to understand the effects of pressure, temperature, supercritical carbon dioxide flow rate, soil type, and extraction time on the extraction efficiency of SFE, extractions were performed on two flare pit soils at various pressures and temperatures. Chemicals in the study included diesel oil, SAE 10-30W motor oil, n-decane, hexadecane, tetratriacontane and pentacontane. The best extraction conditions were defined as conditions that result in a treated soil with a PHC concentration that meets the regulatory guidelines of the Canadian Council of Ministers of the Environment in the Canada-wide standard for PHC is soil. The study results indicate that the efficiency of the SFE process is solvent-density dependent for the conditions studied. The highest extraction efficiency for both soils was obtained at conditions of 24.1 MPa and 40 degrees C. An increase in pressure at a fixed temperature led to an increase in the extraction efficiency while an increase in temperature at a fixed pressure led to a decrease in the extraction efficiency. The treated soils were observed to be lighter in colour, drier, and grainier than the soil prior to extraction. It was concluded that SFE is an effective method for remediating flare pit soils. 63 refs., 4 tabs., 5 figs.

  14. Required characteristics of Paenibacillus polymyxa JB-0501 as potential probiotic.

    Science.gov (United States)

    Naghmouchi, Karim; Baah, John; Cudennec, Benoit; Drider, Djamel

    2013-08-01

    The ability of Paenibacillus polymyxa to inhibit the growth of Escherichia coli generic ATCC 25922 (Escherichia coli ATCC 25922) and to adhere to monolayers of the enterocyte-like human cell line Caco-2 was evaluated. P. polymyxa JB-0501 (P. polymyxa JB-0501), found in a livestock feed probiotic supplement, was compared to P. polymyxa reference strain ATCC 43685 and ATCC 7070 (P. polymyxa ATCC) in terms of carbohydrate utilization and resistance to lysozyme, acid, bile salts, and hydrogen peroxide. JB-0501 grew at pH 4.5 and at H2O2 concentrations less than 7.3 μg/ml and presented a higher affinity to hexadecane and decane. Bile salts at 0.2 % inhibited the growth of all three strains. P. polymyxa JB-0501 and P. polymyxa ATCC 43865 adhered to Caco-2 cell monolayers. The percentage of cells that adhered ranged from about 0.35 to 6.5 % and was partially proportional to the number applied. Contact time (from 15 min to 1 h) had little impact on adhesion. P. polymyxa JB-0501 inhibited the growth of E. coli ATCC 25922, as proven by the diffusion tests in agar. Taken together, these results suggested that P. polymyxa JB-0501 has the potential probiotic properties to justify its consideration as a livestock feed supplement.

  15. Apparent molal volumes of HMT and TATD in aqueous solutions around the temperature of maximum density of water

    International Nuclear Information System (INIS)

    Clavijo Penagos, J.A.; Blanco, L.H.

    2012-01-01

    Highlights: ►V φ for HMT and TATD in aqueous solutions around the temperature of maximum density of water are reported. ► V φ is linear in m form m = 0.025 for all the aqueous solutions investigated. ► Variation of V ¯ 2 ∞ with T obeys a second grade polynomial trend. ► The solutes are classified as structure breakers according to Hepler’s criterion. - Abstract: Apparent molal volumes V φ have been determined from density measurements for several aqueous solutions of 1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane (HMT) and 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD) at T = (275.15, 275.65, 276.15, 276.65, 277.15, 277.65 and 278.15) K as function of composition. The infinite dilution partial molar volumes of solutes in aqueous solution are evaluated through extrapolation. Interactions of the solutes with water are discussed in terms of the effect of the temperature on the volumetric properties and the structure of the solutes. The results are interpreted in terms of water structure-breaking or structure forming character of the solutes.

  16. Study of the volatile compounds from plum (Prunus domestica L. cv. Horvin and estimation of their contribution to the fruit aroma Estudo de compostos voláteis de ameixa (Prunus domestica L. cv. Horvin e estimativa da sua contribuição ao aroma

    Directory of Open Access Journals (Sweden)

    Jorge Antonio Pino

    2012-03-01

    Full Text Available Simultaneous Distillation-Extraction (SDE and headspace-solid phase microextraction (HS-SPME combined with GC-FID and GC-MS were used to analyze volatile compounds from plum (Prunus domestica L. cv. Horvin and to estimate the most odor-active compounds by application of the Odor Activity Values (OAV. The analyses led to the identification of 148 components, including 58 esters, 23 terpenoids, 14 aldehydes, 11 alcohols, 10 ketones, 9 alkanes, 7 acids, 4 lactones, 3 phenols, and other 9 compounds of different structures. According to the results of SDE-GC-MS, SPME-GC-MS and OAV, ethyl 2-methylbutanoate, hexyl acetate, (E-2-nonenal, ethyl butanoate, (E-2-decenal, ethyl hexanoate, nonanal, decanal, (E-β-ionone, Γ-dodecalactone, (Z-3-hexenyl acetate, pentyl acetate, linalool, Γ-decalactone, butyl acetate, limonene, propyl acetate, Δ-decalactone, diethyl sulfide, (E-2-hexenyl acetate, ethyl heptanoate, (Z-3-hexenol, (Z-3-hexenyl hexanoate, eugenol, (E-2-hexenal, ethyl pentanoate, hexyl 2-methylbutanoate, isopentyl hexanoate, 1-hexanol, Γ-nonalactone, myrcene, octyl acetate, phenylacetaldehyde, 1-butanol, isobutyl acetate, (E-2-heptenal, octadecanal, and nerol are characteristic odor active compounds in fresh plums since they showed concentrations far above their odor thresholds.As técnicas de extração-destilação simultâneas (SDE e de headspace-microextração em fase sólida (HS-SPME combinadas com GC-FID e GC-MS foram usadas para analisar compostos voláteis da ameixa (Prunus domestica L. cv. Horvin e para estimar os compostos de aroma mais ativos, pela aplicação de valores de atividade olfativa (OAV, considerando os compostos voláteis presentes no headspace da fruta. As análises levaram à identificação de 148 componentes, incluindo 58 ésteres, 23 terpenoides, 14 aldeídos, 11 álcoois, 10 cetonas, 9 alcanos, 7 ácidos, 4 lactonas, 3 fenóis e 9 outros compostos de diferentes estruturas. De acordo om os resultados de SDE

  17. Use and groundwater risk potential of additives in heat transfer fluids for borehole heat exchangers

    International Nuclear Information System (INIS)

    Ilieva, Dafina

    2014-01-01

    Ground based heat exchanger systems need to be evaluated in terms of potential effects on groundwater quality due to the risk of leakage of borehole heat exchanger fluids. The aim of this work was to identify the compounds which are present in additive mixtures and to investigate experimentally their biodegradability and effects on the biodegradation of the major organic component in borehole heat exchanger fluids. A data survey was carried out in cooperation with the State Ministry of the Environment Baden-Wuerttemberg, Germany to collect detailed information about the identity and application amounts of additives in borehole heat exchanger fluids. The survey revealed that numerous additives of various chemical classes and properties are used as corrosion inhibitors, alkalis, dyes, organic solvents, flavors, defoamers and surfactants. Furthermore, it was shown that glycols are among the most often applied antifreeze agents, the main component of the heat exchanger fluids. Based on the prioritization criteria (i) abundance in the borehole heat exchanger fluids, (ii) persistence, and (iii) mobility in the subsurface, the additives benzotriazole, tolyltriazole, 2-ethylhexanoate, benzoate and decane dicarboxylate were selected for further biodegradation experiments. The biodegradation experiments were carried out in batch systems with 60- or 70-m-deep sediments (sandstone or marl) as inoculum. The samples were taken during the installation of borehole heat exchanger systems at two different sites. The microcosms were conducted under oxic, denitrifying, iron- and sulfate-reducing as well as fermentative conditions at the presumed aquifer temperature of 12 C. The major component ethylene glycol was degraded under all conditions studied. The fastest biodegradation occurred under oxic and nitrate-reducing conditions (< 15 days). In all anoxic, nitrate free experiments with marl-sediment fermentation was the predominant process involved in the biodegradation of ethylene

  18. Use and groundwater risk potential of additives in heat transfer fluids for borehole heat exchangers; Verwendung und Grundwassergefaehrdungspotenzial von Additiven in Waermetraegerfluessigkeiten fuer Erdwaermesonden

    Energy Technology Data Exchange (ETDEWEB)

    Ilieva, Dafina

    2014-02-25

    Ground based heat exchanger systems need to be evaluated in terms of potential effects on groundwater quality due to the risk of leakage of borehole heat exchanger fluids. The aim of this work was to identify the compounds which are present in additive mixtures and to investigate experimentally their biodegradability and effects on the biodegradation of the major organic component in borehole heat exchanger fluids. A data survey was carried out in cooperation with the State Ministry of the Environment Baden-Wuerttemberg, Germany to collect detailed information about the identity and application amounts of additives in borehole heat exchanger fluids. The survey revealed that numerous additives of various chemical classes and properties are used as corrosion inhibitors, alkalis, dyes, organic solvents, flavors, defoamers and surfactants. Furthermore, it was shown that glycols are among the most often applied antifreeze agents, the main component of the heat exchanger fluids. Based on the prioritization criteria (i) abundance in the borehole heat exchanger fluids, (ii) persistence, and (iii) mobility in the subsurface, the additives benzotriazole, tolyltriazole, 2-ethylhexanoate, benzoate and decane dicarboxylate were selected for further biodegradation experiments. The biodegradation experiments were carried out in batch systems with 60- or 70-m-deep sediments (sandstone or marl) as inoculum. The samples were taken during the installation of borehole heat exchanger systems at two different sites. The microcosms were conducted under oxic, denitrifying, iron- and sulfate-reducing as well as fermentative conditions at the presumed aquifer temperature of 12 C. The major component ethylene glycol was degraded under all conditions studied. The fastest biodegradation occurred under oxic and nitrate-reducing conditions (< 15 days). In all anoxic, nitrate free experiments with marl-sediment fermentation was the predominant process involved in the biodegradation of ethylene

  19. Multi-approach evaluations of a cascade-Organic Rankine Cycle (C-ORC) system driven by diesel engine waste heat: Part A – Thermodynamic evaluations

    International Nuclear Information System (INIS)

    Shu, Gequn; Yu, Guopeng; Tian, Hua; Wei, Haiqiao; Liang, Xingyu; Huang, Zhiyong

    2016-01-01

    Highlights: • A novel C-ORC system was proposed for recovering waste heat from a diesel engine. • Thermodynamic evaluations were conducted to explore C-ORC’s practical benefits. • C-ORC has significant heat-recovery capacities and efficiency-promotion potential. • Up to 16.0% of engine efficiency can be improved combining with C-ORC. - Abstract: A novel transcritical cascade-Organic Rankine Cycle (C-ORC) system was proposed to recover multi-grade waste heat from a typical heavy-duty diesel engine. The C-ORC comprises of a high-temperature ORC loop (HT-Loop) and a low temperature ORC loop (LT-Loop) to recover waste heat from an engine’s exhaust gas (EG), exhaust gas recirculation (EGR), jacket water (JW) and charge air (CA) in a cascaded pattern. In order to reveal the full performance of the C-ORC system, with due consideration to diesel’s complex practical running conditions, multi-approach evaluations were conducted containing two parts: Part A – thermodynamic evaluations of the energy and exergy aspects and Part B – techno-economic evaluations on costs and benefits aspects. This paper shows the Part A – evaluations of the C-ORC, focusing on indexes including recovered waste heat, net power output, thermal efficiencies and exergy efficiencies. First of all, distributions of the engine’s multi-grade waste heat were studied to reveal the characteristics and utilization potential of waste energy. The comparison and screening of working fluids were carried out next to find the best fluids for the HT-Loop and LT-Loop respectively based on the rated engine condition. Toluene, decane, cyclohexane and D4 were four proper alternatives for the HT-Loop while R143a, R125, R218 and R41 were four proper alternatives for the LT-Loop. Comparisons indicated that toluene and R143a made the perfect match for the C-ORC with the highest net power output (33.9 kW), thermal efficiency (9.9%) and exergy efficiency (39.1%). The rankings of the two groups of

  20. Experimental and numerical studies of burning velocities and kinetic modeling for practical and surrogate fuels

    Science.gov (United States)

    Zhao, Zhenwei

    To help understand the fuel oxidation process in practical combustion environments, laminar flame speeds and high temperature chemical kinetic models were studied for several practical fuels and "surrogate" fuels, such as propane, dimethyl ether (DME), and primary reference fuel (PRF) mixtures, gasoline and n-decane. The PIV system developed for the present work is described. The general principles for PIV measurements are outlined and the specific considerations are also reported. Laminar flame speeds were determined for propane/air over a range of equivalence ratios at initial temperature of 298 K, 500 K and 650 K and atmospheric pressure. Several data sets for propane/air laminar flame speeds with N 2 dilution are also reported. These results are compared to the literature data collected at the same conditions. The propane flame speed is also numerically calculated with a detailed kinetic model and multi component diffusion, including Soret effects. This thesis also presents experimentally determined laminar flame speeds for primary reference fuel (PRF) mixtures of n-heptane/iso-octane and real gasoline fuel at different initial temperature and at atmospheric pressure. Nitrogen dilution effects on the laminar flame speed are also studied for selected equivalence ratios at the same conditions. A minimization of detailed kinetic model for PRF mixtures on laminar flame speed conditions was performed and the measured flame speeds were compared with numerical predictions using this model. The measured laminar flame speeds of n-decane/air mixtures at 500 K and at atmospheric pressure with and without dilution were determined. The measured flame speeds are significantly different that those predicted using existing published kinetic models, including a model validated previously against high temperature data from flow reactor, jet-stirred reactor, shock tube ignition delay, and burner stabilized flame experiments. A significant update of this model is described which

  1. 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.

  2. [Analysis of Volatile Oils from Different Processed Products of Zingiber officinale Rhizome by GC-MS].

    Science.gov (United States)

    Zhao, Hong-bing; Wang, Zhi-hui; He, Fang; Meng, Han; Peng, Jian-hua; Shi, Ji-lian

    2015-04-01

    To analyze the volatile components in different processed products of Zingiber officinale rhizome, and to make clear the effect of different heating degree on them. The volatile components were extracted from four kinds of processed products by applying steam distillation, and then were analyzed by GC-MS. There were totally 43 components of volatile oil identified from four kinds of processed products of Zingiber officinale rhizome. Fresh product, dried product, and charcoal product of Zingiber officinale rhizome each had 27 components of volatile oil, while sand fried product contained 24 components. Fresh Zingiber officinale rhizome contained 22. 59% of zingiberene, 20. 87% of a-citral and 11. 01% of β-phellandrene, respectively. After processing in different heating degree, the volatile components changed greatly in both of their quantity and quality, For instance, dried Zingiber officinale rhizome contained 40. 48% of α-citral and 8-phellandrene content was slightly lower at 10. 38%. 32.73% of 3,7,11-trimethyl-l, 6, 10-dodecatriene,16. 38% of murolan-3, 9 (11)-diene-10-peroxy and 3. 36% of cubebene newly emerged in the sand fried Zingiber officinale rhizome, and eudesm-4 (14) and β-bisabolol, etc. However, β-phellandrene content was only 1. 95%. The zingiberene and β-sesquiphellandrene were the highest in charcoal product, besides, new components such as α-cedrene, decanal and γ-elemene appeared. Volatile components in different processed products of Zingiber officinale rhizome were different in both of their kinds and contents. This method is suitable for the analysis of volatile components in Zingiber officinale rhizome, and this study can provide the experimental evidence for quality evaluation and clinical application for ginger processed products.

  3. Phytochemical Screening: Antioxidant and Antibacterial Properties of Potamogeton Species in Order to Obtain Valuable Feed Additives.

    Science.gov (United States)

    Lupoae, Paul; Cristea, Victor; Borda, Daniela; Lupoae, Mariana; Gurau, Gabriela; Dinica, Rodica Mihaela

    2015-01-01

    The alcoholic extracts from three submerged perennial plants Potamogeton crispus L., P. pusillus L. and P. pectinatus L. were analyzed by gas chromatography-mass spectrometry coupled with solid phase microextraction (SPME-GC/MS) and by High Performance Liquid Chromatography (HPLC) and their volatile fingerprint and polyphenols composition was mutually compared. Twenty-nine chemical compounds were detected and identified in ethanolic and methanolic extracts; the highest abundance (over 5%) in descending order, was detected for 9,9-dimethyl-8,10- dioxapentacyclo (5,3,0(2,5) 0(3,5,)0 (3,6) decane (21.65%), phenol 2,6 bis (1,1 dimethyletyl) 4-1-methylpropil (20.8%), pentadecanoic acid (14.3%), 2-(5-chloro-2-Methoxyphenyl) pyrrole (8.66%), propanedioic (malonic) acid 2-(4-methylphenyl) sulfonyl ethylidene (5.77%), 2 hydroxy-3 tert butyl-5-isopropyl-6 methyl phenyl ketone (5.76%). The highest total polyphenols and flavonoids content was found in the methanolic extract of P. crispus (112.5±0.5 mg tannic acid/g dry extract; 64.2±1.2 mg quercitin/g dry extract). Antioxidant activities (2,2-difenil-1-picrilhidrazil, hydrogen peroxide and reducing power assays) of obtained extracts are comparable with the standard compounds, butylated hydroxytoluene, rutin and ascorbic acid. Antibacterial efficiency of methanolic extracts was notably demonstrated against Gram negative (Escherichia coli, Enterobacter hormaechei) and Gram positive bacteria (Enterococcus casseliflavus). The data reported for the first time for Romanian Potamogeton species, provides extensive support for the chemical investigations of these plants of the aquatic anthropogene ecosystems in order to obtain valuable bioadditives for animal feed and/or pharmaceutical/food industry.

  4. Changing the Rules on Fuel Export at Sellafield's First Fuel Storage Pond - 12065

    Energy Technology Data Exchange (ETDEWEB)

    Carlisle, Derek [Sellafield Ltd, Sellafield, Cumbria (United Kingdom)

    2012-07-01

    The Pile Fuel Storage Pond (PFSP) was built in 1949/50 to receive, store and de-can fuel and isotopes from the Windscale Piles. Following closure of the Piles in 1957, plant operations were scaled down until fuel processing eventually ceased in 1962. The facility has held an inventory of metal fuel both from the Piles and from other programmes since that time. The pond is currently undergoing remediation and removal of the fuel is a key step in that process, unfortunately the fuel export infrastructure on the plant is no longer functional and due to the size and limited lifting capability, the plant is not compatible with today's large volume heavy export flasks. The baseline scheme for the plant is to package fuel into a small capacity flask and transfer it to another facility for treatment and repackaging into a flask compatible with other facilities on site. Due to programme priorities the repackaging facility is not available to do this work for several years causing a delay to the work. In an effort accelerate the programme the Metal Fuel Pilot Project (MFPP) was initiated to challenge the norms for fuel transfer and develop a new methodology for transferring the fuel. In developing a transfer scheme the team had to overcome challenges associated with unknown fuel condition, transfers outside of bulk containment, pyro-phoricity and oxidisation hazards as well as developing remote control and recovery systems for equipment not designed for this purpose. A combination of novel engineering and enhanced operational controls were developed which resulted in the successful export of the first fuel to leave the Pile Fuel Storage Pond in over 40 years. The learning from the pilot project is now being considered by the main project team to see how the new methodology can be applied to the full inventory of the pond. (author)

  5. Isolation and Identification of Compounds from Bioactive Extracts of Taraxacum officinale Weber ex F. H. Wigg. (Dandelion as a Potential Source of Antibacterial Agents

    Directory of Open Access Journals (Sweden)

    Katy Díaz

    2018-01-01

    Full Text Available Currently, the most effective treatment for recurrent urinary tract infections in women is antibiotics. However, the limitation for this treatment is the duration and dosage of antibiotics and the resistance that bacteria develop after a long period of administration. With the aim of identifying mainly novel natural agents with antibacterial activity, the present study was undertaken to investigate the biological and phytochemical properties of extracts from the leaves Taraxacum officinale. The structural identification of compounds present in hexane (Hex and ethyl acetate (AcOEt extracts was performed by mass spectrometry (GC-MS spectroscopic techniques and nuclear magnetic resonance (NMR with the major compounds corresponding to different sesquiterpene lactones (α-santonin, glabellin, arborescin, and estafiatin, monoterpene (9,10-dimethyltricycle [4.2.1.1 (2,5]decane-9,10-diol, phytosterol (Stigmasta-5,22-dien-3β-ol acetate, terpenes (lupeol acetate, pregn-5-en-20-one-3β-acetyloxy-17-hydroxy, 2-hydroxy-4-methoxy benzaldehyde, and coumarin (benzofuranone 5,6,7,7-a-tetraaldehyde-4,4,7a-trimethyl. The results obtained show that the Hex extract was highly active against Staphylococcus aureus showing a MIC of 200 μg/mL and moderately active against Escherichia coli and Klebsiella pneumoniae with MIC values of 400 μg/mL and 800 μg/mL for the other Gram-negative strains tested with Proteus mirabilis as uropathogens in vitro. Therefore, the effective dandelion extracts could be used in the development of future products with industrial application.

  6. Isolation and Identification of Compounds from Bioactive Extracts of Taraxacum officinale Weber ex F. H. Wigg. (Dandelion) as a Potential Source of Antibacterial Agents.

    Science.gov (United States)

    Díaz, Katy; Espinoza, Luis; Madrid, Alejandro; Pizarro, Leonardo; Chamy, Rolando

    2018-01-01

    Currently, the most effective treatment for recurrent urinary tract infections in women is antibiotics. However, the limitation for this treatment is the duration and dosage of antibiotics and the resistance that bacteria develop after a long period of administration. With the aim of identifying mainly novel natural agents with antibacterial activity, the present study was undertaken to investigate the biological and phytochemical properties of extracts from the leaves Taraxacum officinale. The structural identification of compounds present in hexane (Hex) and ethyl acetate (AcOEt) extracts was performed by mass spectrometry (GC-MS) spectroscopic techniques and nuclear magnetic resonance (NMR) with the major compounds corresponding to different sesquiterpene lactones ( α -santonin, glabellin, arborescin, and estafiatin), monoterpene (9,10-dimethyltricycle [4.2.1.1 (2,5)]decane-9,10-diol), phytosterol (Stigmasta-5,22-dien-3 β -ol acetate), terpenes (lupeol acetate, pregn-5-en-20-one-3 β -acetyloxy-17-hydroxy, 2-hydroxy-4-methoxy benzaldehyde), and coumarin (benzofuranone 5,6,7,7-a-tetraaldehyde-4,4,7a-trimethyl). The results obtained show that the Hex extract was highly active against Staphylococcus aureus showing a MIC of 200  μ g/mL and moderately active against Escherichia coli and Klebsiella pneumoniae with MIC values of 400  μ g/mL and 800  μ g/mL for the other Gram-negative strains tested with Proteus mirabilis as uropathogens in vitro . Therefore, the effective dandelion extracts could be used in the development of future products with industrial application.

  7. Enhanced Oil Recovery (EOR by Miscible CO2 and Water Flooding of Asphaltenic and Non-Asphaltenic Oils

    Directory of Open Access Journals (Sweden)

    Edwin A. Chukwudeme

    2009-09-01

    Full Text Available An EOR study has been performed applying miscible CO2 flooding and compared with that for water flooding. Three different oils are used, reference oil (n-decane, model oil (n-C10, SA, toluene and 0.35 wt % asphaltene and crude oil (10 wt % asphaltene obtained from the Middle East. Stearic acid (SA is added representing a natural surfactant in oil. For the non-asphaltenic oil, miscible CO2 flooding is shown to be more favourable than that by water. However, it is interesting to see that for first years after the start of the injection (< 3 years it is shown that there is almost no difference between the recovered oils by water and CO2, after which (> 3 years oil recovery by gas injection showed a significant increase. This may be due to the enhanced performance at the increased reservoir pressure during the first period. Maximum oil recovery is shown by miscible CO2 flooding of asphaltenic oil at combined temperatures and pressures of 50 °C/90 bar and 70 °C/120 bar (no significant difference between the two cases, about 1% compared to 80 °C/140 bar. This may support the positive influence of the high combined temperatures and pressures for the miscible CO2 flooding; however beyond a certain limit the oil recovery declined due to increased asphaltene deposition. Another interesting finding in this work is that for single phase oil, an almost linear relationship is observed between the pressure drop and the asphaltene deposition regardless of the flowing fluid pressure.

  8. Pachydictyols B and C: New Diterpenes from Dictyota dichotoma Hudson

    Directory of Open Access Journals (Sweden)

    Hartmut Laatsch

    2013-08-01

    Full Text Available Two new diterpenoids, pachydictyol B (1a/1b and C (2, were isolated from the dichloromethane extract of the marine brown alga, Dictyota dichotoma, collected from the Red Sea coast of Egypt, along with the known metabolites, pachydictyol A (3a, dictyol E (4, cis-africanan-1α-ol (5a, fucosterol (6, tetrahydrothiophen-1,1-dioxide and poly-β-hydroxybutyric acid. GC-MS analysis of the nonpolar fractions also indicated the presence of β-bourbonene and nonanal, along with three hydrocarbons and five fatty acids or their simple derivatives, respectively. GC-MS analysis of the unsaponifiable algal petroleum ether extract revealed the presence of a further eight compounds, among them 2,2,6,7-tetramethyl-10-oxatricyclo[4.3.0.1(1,7]decan-5-one (7, N-(4-bromo-n-butyl-pipe ridin-2-one (8 and tert-hexadecanethiol. Structures 1–6 were assigned by 1D and 2D NMR, mass spectra (EI, CI, HREI and HRESI and by comparison with data from related structures. The crude algal extract was potently active against the breast carcinoma tumor cell line, MCF7 (IC50 = 0.6 µg mL−1; pachydictyol B (1a and dictyol E (4 showed weak antimicrobial properties, and the other compounds were inactive. Pachydictyols B (1a and C (2 demonstrated a weak and unselective cytotoxicity against twelve human tumor cell lines with a mean IC50 of >30.0 µM.

  9. Interaction of pepsin-[C16mim]Br system: interfacial dilational rheology and conformational studies.

    Science.gov (United States)

    Huang, Tian; Cao, Chong; Liu, Zi-lin; Li, Yang; Du, Feng-pei

    2014-09-21

    The interfacial rheological property is closely related to the stabilities of foams and emulsions, yet there have been limited studies on the interaction between proteins with ionic liquid-type imidazolium surfactants at the decane-water interface as well as in the bulk. Herein, we investigated the interfacial and bulk properties of pepsin (PEP) and an ionic liquid (IL), 1-hexadecyl-3-methylimidazolium bromide, [C(16)mim]Br. The interfacial pressure and dilational rheology studies were performed to describe the formation of [C(16)mim]Br-pepsin complexes. The influence of the oscillating frequency and the bulk concentration of [C(16)mim]Br on the dilational properties were explored. The conformational changes were studied by monitoring the fluorescence and far UV-CD spectra. The results reveal that the globular structure of pepsin is one of the decisive factors controlling the nature of the interfacial film. The monotonous increase in the dilational elastic modulus of pepsin-[C(16)mim]Br solutions with the surface age indicates that no loops and tails had formed. Interestingly, with an increase in the concentration of [C(16)mim]Br, the εd-c curve first passes through a plateau value due to steric hindrance and the electrostatic barrier of already absorbed tenacious pepsin-[C(16)mim]Br complexes. With the further addition of [C(16)mim]Br, the remarkable decrease in dilational elastic modulus indicates that the compact structure is destroyed gradually. The results of the fluorescence spectra and far UV-CD spectra confirm that [C(16)mim]Br did not produce perceptible changes in pepsin at the concentrations studied in the dilational experiment. Possible schematic programs of the pepsin-[C(16)mim]Br interaction model at the interface and in bulk phase are proposed.

  10. Theoretical research on working fluid selection for a high-temperature regenerative transcritical dual-loop engine organic Rankine cycle

    International Nuclear Information System (INIS)

    Tian, Hua; Liu, Lina; Shu, Gequn; Wei, Haiqiao; Liang, Xingyu

    2014-01-01

    Highlights: • Among all examined working fluids, toluene possesses the maximum W net , highest η e and η ec . • The increase of T 3 worsens system performance, decreasing W net , η e and η ec . • Condenser C LT and turbine T LT possesses the least system irreversibility. • Turbines and exhaust evaporators are optimization components. - Abstract: In this paper, a regenerative transcritical dual-loop organic Rankine cycle is proposed to recover the waste heat of the exhaust, engine coolant and all the residual heat of the HT loop. Double regenerators are adopted in this system. Transcritical cycles are used in both loops. Hexamethyldisiloxane (MM), octamethyl cyclotetrasiloxane (D 4 ), octamethyltrisiloxane (MDM), cyclohexane, toluene and n-decane are chosen as the candidate working fluids of the HT loop and R143a is chosen as the working fluid of the LT loop. Influences of inlet temperature of turbine T HT (T 3 ) on mass flow rates (m f,HT and m f,LT ), net output power (W net ), energy conversion efficiency (η ec ), volumetric expansion ratio (VER), ratio of power consumed to power output (COR) and component irreversibility are analyzed and performance comparison of these working fluids is also evaluated. Results show that toluene possesses the maximum W net (42.46 kW), highest η e (51.92%) and η ec (12.77%). The increase of T 3 worsens system performance, decreasing W net , η e and η ec . Condenser C LT and turbine T LT possess the least system irreversibility. In addition, turbines and exhaust evaporators are optimized components

  11. Kinetic analysis of volatile formation in milk subjected to pressure-assisted thermal treatments.

    Science.gov (United States)

    Vazquez-Landaverde, P A; Qian, M C; Torres, J A

    2007-09-01

    Volatile formation in milk subjected to pressure-assisted thermal processing (PATP) was investigated from a reaction kinetic analysis point of view to illustrate the advantages of this technology. The concentration of 27 volatiles of different chemical class in milk subjected to pressure, temperature, and time treatments was fitted to zero-, 1st-, and 2nd-order chemical reaction models. Temperature and pressure effects on rate constants were analyzed to obtain activation energy (E(a)) and activation volume (deltaV*) values. Hexanal, heptanal, octanal, nonanal, and decanal followed 1st-order kinetics with rate constants characterized by E(a) values decreasing with pressure reflecting negative deltaV* values. Formation of 2-methylpropanal, 2,3-butanedione, and hydrogen sulfide followed zero-order kinetics with rate constants increasing with temperature but with unclear pressure effects. E(a) values for 2-methylpropanal and 2,3-butanedione increased with pressure, that is, deltaV* > 0, whereas values for hydrogen sulfide remained constant, that is, deltaV* = 0. The concentration of all other volatiles, including methanethiol, remained unchanged in pressure-treated samples, suggesting large negative deltaV* values. The concentration of methyl ketones, including 2-pentanone, 2-hexanone, 2-heptanone, 2-octanone, 2-nonanone, 2-decanone, and 2-undecanone, was independent of pressure and pressure-holding time. PATP promoted the formation of few compounds, had no effect on some, and inhibited the formation of volatiles reported to be factors of the consumer rejection of "cooked" milk flavor. The kinetic behavior observed suggested that new reaction formation mechanisms were not likely involved in volatile formation in PATP milk. The application of the Le Chatelier principle frequently used to explain the high quality of pressure-treated foods, often with no supporting experimental evidence, was not necessary.

  12. VOC emissions and carbon balance of two bioenergy plantations in response to nitrogen fertilization: A comparison of Miscanthus and Salix.

    Science.gov (United States)

    Hu, Bin; Jarosch, Ann-Mareike; Gauder, Martin; Graeff-Hönninger, Simone; Schnitzler, Jörg-Peter; Grote, Rüdiger; Rennenberg, Heinz; Kreuzwieser, Jürgen

    2018-06-01

    Energy crops are an important renewable source for energy production in future. To ensure high yields of crops, N fertilization is a common practice. However, knowledge on environmental impacts of bioenergy plantations, particularly in systems involving trees, and the effects of N fertilization is scarce. We studied the emission of volatile organic compounds (VOC), which negatively affect the environment by contributing to tropospheric ozone and aerosols formation, from Miscanthus and willow plantations. Particularly, we aimed at quantifying the effect of N fertilization on VOC emission. For this purpose, we determined plant traits, photosynthetic gas exchange and VOC emission rates of the two systems as affected by N fertilization (0 and 80 kg ha -1 yr -1 ). Additionally, we used a modelling approach to simulate (i) the annual VOC emission rates as well as (ii) the OH . reactivity resulting from individual VOC emitted. Total VOC emissions from Salix was 1.5- and 2.5-fold higher compared to Miscanthus in non-fertilized and fertilized plantations, respectively. Isoprene was the dominating VOC in Salix (80-130 μg g -1 DW h -1 ), whereas it was negligible in Miscanthus. We identified twenty-eight VOC compounds, which were released by Miscanthus with the green leaf volatile hexanal as well as dimethyl benzene, dihydrofuranone, phenol, and decanal as the dominant volatiles. The pattern of VOC released from this species clearly differed to the pattern emitted by Salix. OH . reactivity from VOC released by Salix was ca. 8-times higher than that of Miscanthus. N fertilization enhanced stand level VOC emissions, mainly by promoting the leaf area index and only marginally by enhancing the basal emission capacity of leaves. Considering the higher productivity of fertilized Miscanthus compared to Salix together with the considerably lower OH . reactivity per weight unit of biomass produced, qualified the C 4 -perennial grass Miscanthus as a superior source of future

  13. Use of solid phase microextraction to identify volatile organic compounds in brazilian wines from different grape varieties

    Directory of Open Access Journals (Sweden)

    Natália Cristina Morais Fernandes

    Full Text Available Abstract The Brazilian wine industry has shown significant growth in recent years and the insertion of new concepts, such as geographical indications as signs of quality, has placed Brazil in tune with the tendencies of world wine production. The aim of this work was to apply the Solid Phase Microextraction technique in combination with Gas Chromatography-Mass Spectrometry to study Brazilian wines made from different grape varieties, in order to separate and identify their volatile organic compounds. These substances were identified by comparisons between the spectra obtained with those presented in the NIST library database, and by comparisons with linear retention indices and literature data. The amounts of the compounds were calculated based on the total peak areas of the chromatograms. Forty-seven volatile compounds were identified and grouped into alcohols, aldehydes, fatty acids, esters, hydrocarbons, ketones and terpenes. Most of them belonged to the ester function, conferring a fruity aroma on the wines. The alcohols may have originated from the yeast metabolism, contributing to the alcoholic and floral aromas. Ethyl lactate, 1-hexanol and diethyl maleate were identified in all the varieties, except Merlot. Decanal, methyl citronellate, (E-2-hexenyl-3-methylbutyrate were only found in Merlot, while 2,3-butanediol was only present in the Tannat wines. 2-Phenylethanol was present in all varieties and is recognized as giving pleasant rose and honey attributes to wines. This study showed that the volatile profile of red wines is mainly characterized by esters and higher alcohols. The statistical analysis of the comparison of averages showed a greater amount of averages significantly different in the relative areas of Merlot wine. The Principal Component Analysis showed one grouping composed only of the Merlot wine samples, and this was probably related to the existence of the volatile organic compounds that were specifically identified in

  14. Kelvin probe force microscopy in liquid using electrochemical force microscopy

    Directory of Open Access Journals (Sweden)

    Liam Collins

    2015-01-01

    Full Text Available Conventional closed loop-Kelvin probe force microscopy (KPFM has emerged as a powerful technique for probing electric and transport phenomena at the solid–gas interface. The extension of KPFM capabilities to probe electrostatic and electrochemical phenomena at the solid–liquid interface is of interest for a broad range of applications from energy storage to biological systems. However, the operation of KPFM implicitly relies on the presence of a linear lossless dielectric in the probe–sample gap, a condition which is violated for ionically-active liquids (e.g., when diffuse charge dynamics are present. Here, electrostatic and electrochemical measurements are demonstrated in ionically-active (polar isopropanol, milli-Q water and aqueous NaCl and ionically-inactive (non-polar decane liquids by electrochemical force microscopy (EcFM, a multidimensional (i.e., bias- and time-resolved spectroscopy method. In the absence of mobile charges (ambient and non-polar liquids, KPFM and EcFM are both feasible, yielding comparable contact potential difference (CPD values. In ionically-active liquids, KPFM is not possible and EcFM can be used to measure the dynamic CPD and a rich spectrum of information pertaining to charge screening, ion diffusion, and electrochemical processes (e.g., Faradaic reactions. EcFM measurements conducted in isopropanol and milli-Q water over Au and highly ordered pyrolytic graphite electrodes demonstrate both sample- and solvent-dependent features. Finally, the feasibility of using EcFM as a local force-based mapping technique of material-dependent electrostatic and electrochemical response is investigated. The resultant high dimensional dataset is visualized using a purely statistical approach that does not require a priori physical models, allowing for qualitative mapping of electrostatic and electrochemical material properties at the solid–liquid interface.

  15. Oxidative Stress Biomarkers in Exhaled Breath of Workers Exposed to Crystalline Silica Dust by SPME-GC-MS.

    Science.gov (United States)

    Jalali, Mahdi; Zare Sakhvidi, Mohammad Javad; Bahrami, Abdulrahman; Berijani, Nima; Mahjub, Hussein

    2016-01-01

    Silicosis is considered an oxidative stress related disease that can lead to the development of lung cancer. In this study, our purpose was to analysis of volatile organic compounds (VOCs) in the exhaled breath of workers exposed to silica containing dust and compare peak area of these compounds with silicosis patients and healthy volunteers (smokers and nonsmokers) groups. In this cross sectional case-control study, the exhaled breath of 69 subjects including workers exposed to silica (n=20), silicosis patient (n=4), healthy non-smoker (n=20) and healthy smoker (n=25) were analyzed. We collected breath samples using 3-liter Tedlar bags. The VOCs were extracted with solid phase micro-extraction (SPME) and analyzed by gas chromatography-mass spectrometry (GC-MS). Personal exposure intensity was measured according to NIOSH 7601 method. Respiratory parameters were measured using spirometry. Seventy percent and 100% of the exposures to crystalline silica dust exceeded from 8 h TWA ACGIH TLVs in case and positive control groups, respectively. A significant negative correlation was found between dust exposure intensity and FEV1/FVC when exposure and positive control groups were studied in a group (r2=-0.601, P<0.001). Totally, forty VOCs were found in all exhaled breath samples. Among the VOCs, the mean of peak area acetaldehyde, hexanal, nonanal, decane, pentad cane, 2-propanol and 3-hydroxy-2-butanone were higher in exhaled breath of the workers exposed to silica and silicosis patient compared to the healthy smoker and nonsmoker controls. In some cases the difference was significant (P<0.05). The analysis of some VOCs in exhaled breath of subjects is appropriate biomarker to determine of exposure to silica.

  16. The Thermox Process

    Energy Technology Data Exchange (ETDEWEB)

    Tjaelldin, O

    1963-09-15

    The Thermox process is a process developed by AB Atomenergi for the decladding and dissolution of irradiated Zircaloy-2 clad uranium dioxide fuel elements and consists of the following stages: 1. Decladding by means of thermal oxidation of the Zircaloy-2 with oxygen and water vapour at 825 C using nitrogen as a catalyst. 2. Oxidation of the uranium dioxide pellets with air and oxygen to U{sub 3}O{sub 8} at a temperature of 450 - 650 C. 3. Dissolving and leaching the uranium oxides with dilute nitric acid leaving the insoluble zirconium oxide as a residue. 4. Filtering the solution and washing the residues of the cladding. The work has included the following parts; The laboratory scale investigation of the conditions for the oxidation of Zircaloy-2 in various gas mixtures and of the conditions for oxidizing and dissolving sintered UO{sub 2} pellets; The development on a pilot plant scale of suitable apparatus and process techniques for the safe and reproducible treatment of half length inactive fuel elements; Studies of some special operation and handling problems, which have to be solved before the method can be applied in full scale. Five half length fuel elements have been treated, and the results have been satisfactory. The pilot plant experiments have proved that inactive fuel elements can be decanned, oxidized and dissolved by means of the Thermox process. Solutions and canning residues are easy to filter, separate, and handle and are free from corroding agents. The uranium losses can be kept very low. The zirconium dioxide is obtained in a form suitable for permanent disposal.

  17. Aroma composition of red wines by different extraction methods and Gas Chromatography-SIM/MASS spectrometry analysis.

    Science.gov (United States)

    Genovese, Alessandro; Dimaggio, Rosa; Lisanti, Maria Tiziana; Piombino, Paola; Moio, Luigi

    2005-06-01

    One hundred and one volatile compounds, reported in literature as powerful odorants of wine, were quantified by Gas Chromatography-Selective Ion Monitoring/Mass Spectrometry (GC-SIM/MS) in Primitivo, Aglianico, Merlot and Cabernet Sauvignon red wines. Wine samples were extracted by 3 different extraction methods: 1) separation of the alcoholic fraction from the aqueous phase by salting-out and subsequent extraction by liquid-liquid micro-extraction with 1,1,2-trichlorotrifluoroethane (Freon 113); 2) extraction by liquid-liquid micro-extraction with dichloromethane; 3) solid phase extraction (SPE cartridge: 800 mg of LiChrolut EN resin) with pentane-dichloromethane (20:1) and dichloromethane. The selection of the ion fragments used for quantification was directly performed on a red wine sample. For each compound the area of the corresponding peak was normalized respect to the peak of the internal standard and then interpolated in a calibration curve obtained analysing a model wine solution (water, ethanol, tartaric acid and known amounts of analytes and of internal standard). The methods showed a good linearity: r2>0.990, except for farnesol (isomer a and c), octanal, decanal, furaneol and phenylacetic acid with 0.966 furaneol and sotolon. The Aglianico wines were characterised by the major fermentation compounds (esters, fatty acids and 2-phenylethanol), beta-damascenone, beta-ionone and linalool. The Primitivo wines were characterized by furaneol, methoxypyrazine, gamma-nonalactone and acetaldehyde, while Cabernet Sauvignon and Merlot wines principally by cask derivates (vanillin, (Z) 3-methyl-gamma-octalactone [(Z) wiskylactone], maltol and eugenol), some aldehydes and 3-isopropyl-2-methoxypyrazine.

  18. Physicochemical investigation of mixed surfactant microemulsions: water solubilization, thermodynamic properties, microstructure, and dynamics.

    Science.gov (United States)

    Bardhan, Soumik; Kundu, Kaushik; Saha, Swapan K; Paul, Bidyut K

    2013-12-01

    In this contribution, we report on a systematic investigation of phase behavior and solubilization of water in water-in-heptane or decane aggregates stabilized by mixtures of polyoxyethylene (20) cetyl ether (Brij-58) and cetyltrimethylammonium bromide (CTAB) surfactants with varying compositions in conjugation with 1-pentanol (Pn) at fixed surfactant(s)/Pn ratio and temperature. Synergism in water solubilization was evidenced by the addition of CTAB to Brij-58 stabilized system in close proximity of equimolar composition in both oils. An attempt has been made to correlate composition dependent water solubilization and volume induced conductivity studies to provide insight into the solubilization mechanism of these mixed systems. Conductivity studies reveal the ascending curve in water solubilization capacity-(Brij-58:CTAB, w/w) profile as the interdroplet interaction branch indicating percolation of conductance and the descending curve is a curvature branch due to the rigidity of the interface in these systems. The microstructure of these systems as a function of surfactant composition has been determined by dynamic light scattering (DLS) and Fourier transform infrared spectroscopy (FTIR) measurements. FTIR study reveals increase and decrease in relative population of bound and bulk-like water, respectively, with increase in Brij-58:CTAB (w/w). DLS measurements showed that the droplet hydrodynamic diameter (Dh) decreases significantly with the increase in Brij-58:CTAB (w/w). Further, the interfacial composition and energetic parameters for the transfer of Pn from bulk oil to the interface were evaluated by the dilution method. Formation of temperature-insensitive microemulsions and temperature invariant droplet sizes are evidenced in the vicinity of the equimolar composition. The results are interpreted in terms of a proposed mechanism. Copyright © 2013 Elsevier Inc. All rights reserved.

  19. Combined use of titration calorimetry and spectrofluorimetry for the screening of the acidity of solid catalysts in different liquids

    International Nuclear Information System (INIS)

    Gervasini, Antonella; Auroux, Aline

    2013-01-01

    Graphical abstract: Measurements of acidity of oxides of catalytic importance in various liquids open the possibility to know their effective acidity, which is related with their activity in liquid-heterogeneous catalysis. Titration-calorimetry alone or in connection with spectrofluorimetry is efficient for this scope. - Highlights: • Measurements of acidity of oxides of catalytic importance in various liquids. • Titration-calorimetry alone or in connection with spectrofluorimetry is efficient for this scope. • Effective acidities are expressed by given sample in various liquids. • Nb-containing samples are able to maintain acidity in protic liquids. - Abstract: The effective acid and base surface properties of selected acidic and basic samples of catalytic interest (alumina, titania, zirconia, silica–alumina, niobium oxide, niobium phosphate, boron nitride, and hydrotalcite) were measured by titration with basic and acidic molecular probes (aniline, 2-phenylethylamine, and phenol) in various liquids (cyclohexane, 1,4-dioxane, isopropanol, n-decane, and toluene) with different polar and protic characteristics. The combined use of a reaction calorimeter and a spectrofluorimeter has been performed. The set-up of the coupled technique and the most interesting results are shown here. The study confirmed that the acid–base properties of solids are deeply affected by the nature and properties of the liquid surrounding the samples. Few oxides are able to maintain their surface acidity in highly polar and protic solvents, in particular whose containing niobium. In general, the solvating and coordinative ability of the most polar and protic liquids caused remarkable loss of acidity/basicity of the oxide surfaces

  20. Combined use of titration calorimetry and spectrofluorimetry for the screening of the acidity of solid catalysts in different liquids

    Energy Technology Data Exchange (ETDEWEB)

    Gervasini, Antonella, E-mail: antonella.gervasini@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, via Camillo Golgi, 19, 20133 Milano (Italy); Auroux, Aline, E-mail: aline.auroux@ircelyon.univ-lyon1.fr [Université Lyon 1, CNRS, UMR 5256, Institut de Recherches sur la Catalyse et l‘Environnement de Lyon (IRCELYON), 2 Avenue A. Einstein, 69626 Villeurbanne (France)

    2013-09-10

    Graphical abstract: Measurements of acidity of oxides of catalytic importance in various liquids open the possibility to know their effective acidity, which is related with their activity in liquid-heterogeneous catalysis. Titration-calorimetry alone or in connection with spectrofluorimetry is efficient for this scope. - Highlights: • Measurements of acidity of oxides of catalytic importance in various liquids. • Titration-calorimetry alone or in connection with spectrofluorimetry is efficient for this scope. • Effective acidities are expressed by given sample in various liquids. • Nb-containing samples are able to maintain acidity in protic liquids. - Abstract: The effective acid and base surface properties of selected acidic and basic samples of catalytic interest (alumina, titania, zirconia, silica–alumina, niobium oxide, niobium phosphate, boron nitride, and hydrotalcite) were measured by titration with basic and acidic molecular probes (aniline, 2-phenylethylamine, and phenol) in various liquids (cyclohexane, 1,4-dioxane, isopropanol, n-decane, and toluene) with different polar and protic characteristics. The combined use of a reaction calorimeter and a spectrofluorimeter has been performed. The set-up of the coupled technique and the most interesting results are shown here. The study confirmed that the acid–base properties of solids are deeply affected by the nature and properties of the liquid surrounding the samples. Few oxides are able to maintain their surface acidity in highly polar and protic solvents, in particular whose containing niobium. In general, the solvating and coordinative ability of the most polar and protic liquids caused remarkable loss of acidity/basicity of the oxide surfaces.

  1. Determination of thermodynamic properties of poly(cyclohexyl methacrylate)by inverse gas chromatography

    Institute of Scientific and Technical Information of China (English)

    Ismet KAYA; Cigdem Yigit PALA

    2014-01-01

    In this work,some thermodynamic properties of poly( cyclohexyl methacrylate)were studied by inverse gas chromatography( IGC). For this purpose,the polymeric substance was coated on Chromosorb W and which was filled into a glass column. The retention times(tr)of the probes were determined from the interactions of poly(cyclohexyl methacrylate)with n-pentane,n-hexane,n-heptane,n-octane,n-decane, methanol,ethanol,2-propanol,butanol,acetone,ethyl methyl ketone,benzene,toluene and o-xylene by IGC technique. Then,the specific volume(V0g)was determined for each probe molecule. By using(1/T;lnV0g) graphics,the glass transition temperature of poly( cyclohexyl methacrylate)was found to be 373 K. The adsorp-tion heat under the glass transition temperature(ΔH a ),and partial molar heat of sorption above the glass tran-sition(ΔHS1 ),partial molar free energy of sorption(ΔGS1 )and partial molar entropy of sorption(ΔSS1 )belong-ing to sorption for every probe were calculated. The partial molar heat of mixing at infinite dilution(ΔH∞1 ), partial molar free energy of mixing at infinite dilution(ΔG∞1 ),Flory-Huggins interaction parameter(χ∞12 )and weight fraction activity coefficient(a1/w1)∞ values of polymer-solute systems were calculated at different col-umn temperatures. The solubility parameters(δ2 )of the polymer were obtained by IGC technique.

  2. Controlled release of ibuprofen by meso-macroporous silica

    Science.gov (United States)

    Santamaría, E.; Maestro, A.; Porras, M.; Gutiérrez, J. M.; González, C.

    2014-02-01

    Structured meso-macroporous silica was successfully synthesized from an O/W emulsion using decane as a dispersed phase. Sodium silicate solution, which acts as a silica source and a poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (EO19PO39EO19) denoted as P84 was used in order to stabilize the emulsion and as a mesopore template. The materials obtained were characterized through transmission electron microscopy (TEM), scanning electron microscopy (SEM), small-angle X-ray diffraction scattering (SAXS) and nitrogen adsorption-desorption isotherms. Ibuprofen (IBU) was selected as the model drug and loaded into ordered meso-macroporous materials. The effect of the materials’ properties on IBU drug loading and release was studied. The results showed that the loading of IBU increases as the macropore presence in the material is increased. The IBU adsorption process followed the Langmuir adsorption isotherm. A two-step release process, consisting of an initial fast release and then a slower release was observed. Macropores enhanced the adsorption capacity of the material; this was probably due to the fact that they allowed the drug to access internal pores. When only mesopores were present, ibuprofen was probably adsorbed on the mesopores close to the surface. Moreover, the more macropore present in the material, the slower the release behaviour observed, as the ibuprofen adsorbed in the internal pores had to diffuse along the macropore channels up to the surface of the material. The material obtained from a highly concentrated emulsion was functionalized with amino groups using two methods, the post-grafting mechanism and the co-condensation mechanism. Both routes improve IBU adsorption in the material and show good behaviour as a controlled drug delivery system.

  3. Highly precise (liquid + liquid) equilibrium and heat capacity measurements near the critical point for [Bmim][BF4] + 1H, 1H, 2H, 2H perfluoroctanol

    International Nuclear Information System (INIS)

    Pérez-Sánchez, G.; Troncoso, J.; Losada-Pérez, P.; Méndez-Castro, P.; Romaní, L.

    2013-01-01

    Highlights: • Highly precise liquid–liquid curves for [Bmim][BF 4 ] + perfluoroctanol are reported. • Critical behavior of heat capacity for the same system was also characterized. • In contrast to previous results, no coulombic/solvophobic crossover for coexistence curve diameter was found. • The system criticality shows characteristics both solvophobic and coulombic. -- Abstract: Liquid + liquid equilibrium of the system [Bmim][BF 4 ] + 1H, 1H, 2H, 2H perfluoroctanol using a highly precise methodology based on refractive index measurements was experimentally determined. In addition, isobaric heat capacity near the critical point was obtained. The performance of the new refractive index set-up was successfully checked against the coexistence curve of the system dimethyl carbonate + decane, since highly accurate data are available in the literature. The choice of [Bmim][BF 4 ] + 1H, 1H, 2H, 2H perfluoroctanol was motivated by a previous experimental work, whose results suggest that this system could present characteristics of both solvophobic and coulombic behavior, which are the two categories to which an ionic system can belong. Although this was previously observed for other ionic systems, this mixture presented a very striking feature: the diameter of the coexistence curve seemed to change its criticality in the studied temperature range, from solvophobic far away to coulombic close to the critical point. The results of this work reveal that, in fact, [Bmim][BF 4 ] + 1H, 1H, 2H, 2H perfluoroctanol presents characteristics of both solvophobic and coulombic criticality, but no evidence of the observed crossover over the experimental temperature range has been found

  4. Transcriptome response to alkane biofuels in Saccharomyces cerevisiae: identification of efflux pumps involved in alkane tolerance

    Science.gov (United States)

    2013-01-01

    Background Hydrocarbon alkanes have been recently considered as important next-generation biofuels because microbial production of alkane biofuels was demonstrated. However, the toxicity of alkanes to microbial hosts can possibly be a bottleneck for high productivity of alkane biofuels. To tackle this toxicity issue, it is essential to understand molecular mechanisms of interactions between alkanes and microbial hosts, and to harness these mechanisms to develop microbial host strains with improved tolerance against alkanes. In this study, we aimed to improve the tolerance of Saccharomyces cerevisiae, a model eukaryotic host of industrial significance, to alkane biofuels by exploiting cellular mechanisms underlying alkane response. Results To this end, we first confirmed that nonane (C9), decane (C10), and undecane (C11) were significantly toxic and accumulated in S. cerevisiae. Transcriptome analyses suggested that C9 and C10 induced a range of cellular mechanisms such as efflux pumps, membrane modification, radical detoxification, and energy supply. Since efflux pumps could possibly aid in alkane secretion, thereby reducing the cytotoxicity, we formed the hypothesis that those induced efflux pumps could contribute to alkane export and tolerance. In support of this hypothesis, we demonstrated the roles of the efflux pumps Snq2p and Pdr5p in reducing intracellular levels of C10 and C11, as well as enhancing tolerance levels against C10 and C11. This result provided the evidence that Snq2p and Pdr5p were associated with alkane export and tolerance in S. cerevisiae. Conclusions Here, we investigated the cellular mechanisms of S. cerevisiae response to alkane biofuels at a systems level through transcriptome analyses. Based on these mechanisms, we identified efflux pumps involved in alkane export and tolerance in S. cerevisiae. We believe that the results here provide valuable insights into designing microbial engineering strategies to improve cellular tolerance for

  5. Exhaled breath and oral cavity VOCs as potential biomarkers in oral cancer patients.

    Science.gov (United States)

    Bouza, M; Gonzalez-Soto, J; Pereiro, R; de Vicente, J C; Sanz-Medel, A

    2017-03-01

    Corporal mechanisms attributed to cancer, such as oxidative stress or the action of cytochrome P450 enzymes, seem to be responsible for the generation of a variety of volatile organic compounds (VOCs) that could be used as non-invasive diagnosis biomarkers. The present work presents an attempt to use VOCs from exhaled breath and oral cavity air as biomarkers for oral squamous cell carcinoma (OSCC) patients. A total of 52 breath samples were collected (in 3 L Tedlar bags) from 26 OSCC patients and 26 cancer-free controls. The samples were analyzed using solid-phase microextraction followed by gas chromatography-mass spectrometry detection. Different statistical strategies (e.g., Icoshift, SIMCA, LDA, etc) were used to classify the analytical data. Results revealed that compounds such as undecane, dodecane, decanal, benzaldehyde, 3,7-dimethyl undecane, 4,5-dimethyl nonane, 1-octene, and hexadecane had relevance as possible biomarkers for OSCC. LDA classification with these compounds showed well-defined clusters for patients and controls (non-smokers and smokers). In addition to breath analysis, preliminary studies were carried out to evaluate the possibility of lesion-surrounded air (analyzed OSCC tumors are in the oral cavity) as a source of biomarkers. The oral cavity location of the squamous cell carcinoma tumors constitutes an opportunity to non-invasively collect the air surrounding the lesion. Small quantities (20 ml) of air collected in the oral cavity were analyzed using the above methodology. Results showed that aldehydes present in the oral cavity might constitute potential OSCC biomarkers.

  6. Reconstitution of Biological Molecular generators of electric current. Bacteriorhodopsin.

    Science.gov (United States)

    Drachev, L A; Frolov, V N; Kaulen, A D; Liberman, E A; Ostroumov, S A; Plakunova, V G; Semenov, A Y; Skulachev, V P

    1976-11-25

    1. Photoinduced generation of electric current by bacteriorhodopsin, incorporated into the planar phospholipid membrane, has been directly measured with conventional electrometer techniques. 2. Two methods for bacteriorhodopsin incorporation have been developed: (a) formation of planar membrane from a mixture of decane solution of phospholipids and of the fraction of violet fragments of the Halobacterium halobium membrane (bacteriorhodopsin sheets), and (b) adhesion of bacteriorhodopsin-containing reconstituted spherical membranes (proteoliposomes) to the planar membrane in the presence of Ca2+ or some other cations. In both cases, illumination was found to induce electric current generation directed across the planar membrane, an effect which was measured by macroelectrodes immersed into electrolyte solutions on both sides of the membrane. 3. The maximal values of the transmembrane electric potential were of about 150 mV at a current of about 10(-11) A. The electromotive force measured by means of counterbalancing the photoeffect by an external battery, was found to reach the value of 300 mV. 4. The action spectrum of the photoeffect coincides with the bacteriorhodopsin absorption spectrum (maximum about 570 nm). 5. Both components of the electrochemical potential of H+ ions (electric potential and delta pH) across the planar membrane affect the bacteriorhodopsin photoelectric response in a fashion which could be expected if bacteriorhodopsin were a light-dependent electrogenic proton pump. 6. La3+ ions were shown to inhibit operation of those bacteriorhodopsin which pump out H+ ions from the La3+-containing compartment. 7. The photoeffect, mediated by proteoliposomes associated with thick planar membrane, is decreased by gramicidin A at concentrations which do not influence the planar membrane resistance in the light. On the contrary, a protonophorous uncoupler, trichlorocarbonylcyanidephenylhydrazone, decreases the photoeffect only if it is added at a

  7. Emulsification kinetics during quasi-miscible flow in dead-end pores

    Science.gov (United States)

    Broens, M.; Unsal, E.

    2018-03-01

    Microemulsions have found applications as carriers for the transport of solutes through various porous media. They are commonly pre-prepared in bulk form, and then injected into the medium. The preparation is done by actively mixing the surfactant, water and oil, and then allowing the mixture to stagnate until equilibrium is reached. The resulting microemulsion characteristics of the surfactant/oil/water system are studied at equilibrium conditions, and perfect mixing is assumed. But in applications like subsurface remediation and enhanced oil recovery, microemulsion formation may occur in the pore space. Surfactant solutions are injected into the ground to solubilize and/or mobilize the non-aqueous phase liquids (NAPLs) by in-situ emulsification. Flow dynamics and emulsification kinetics are coupled, which also contributes to in-situ mixing. In this study, we investigated the nature of such coupling for a quasi-miscible fluid system in a conductive channel with dead-end extensions. A microfluidic setup was used, where an aqueous solution of an anionic, internal olefin sulfonate 20-24 (IOS) surfactant was injected into n-decane saturated glass micromodel. The oil phase was coloured using a solvatochromatic dye allowing for direct visualization of the aqueous and oil phases as well as their microemulsions under fluorescent light. Presence of both conductive and stagnant dead-end channels in a single pore system made it possible to isolate different transport mechanisms from each other but also allowed to study the transitions from one to the other. In the conductive channel, the surfactant was carried with flow, and emulsification was controlled by the localized flow dynamics. In the stagnant zones, the driving force of the mass transfer was driven by the chemical concentration gradient. Some of the equilibrium phase behaviour characteristics of the surfactant/oil/water system were recognisable during the quasi-miscible displacement. However, the equilibrium tests

  8. Summer 2017 Microfluidics Research Report

    Energy Technology Data Exchange (ETDEWEB)

    Mcculloch, Quinn [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-07-25

    Liquid-liquid Extraction (LLE), also known as solvent extraction, represents a large subset of chemistry where one or more solutes are transferred across an interface between two immiscible liquids. This type of chemistry is used in industrial scale processes to purify solvents, refine ore, process petroleum, treat wastewater, and much more. Although LLE has been successfully employed at the macroscale, where many liters/kgs of species are processed at large flow rates, LLE stands to benefit from lab-on-a-chip technology, where reactions take place quickly and efficiently at the microscale. A device, called a screen contactor, has been invented at Los Alamos National Laboratory (LANL) to perform solvent extraction at the microscale. This invention has been submitted to LANL’s Feynman Center for Innovation, and has been filed for provisional patent under U.S. Patent Application No. 62/483,107 1. The screen contactor consists of a housing that contains two different screen materials, flametreated stainless steel and polyether ether ketone (PEEK) thermoplastic, that are uniquely wetted by either an aqueous or an organic liquid phase, respectively. Liquids in this device flow longitudinally through the screens. The fine pore size of the screens (tens of microns) provide large capillary/adhesional forces while maintaining small hydraulic pressure drops. These physical characteristics are paramount to efficient microscale liquid phase separation. To demonstrate mass transfer using the screen contactor, a well-known chemical system 2 consisting of water and n-decane as solvents and trimethylamine (TEA) as a solute was selected. TEA is basic in water so its concentration can easily be quantified using a digital pH meter and an experimentally determined base dissociation constant. Characterization of this solvent system and its behavior in the screen contactor have been the focus of my research activities this summer. In the following sections, I have detailed

  9. The Thermox Process

    International Nuclear Information System (INIS)

    Tjaelldin, O.

    1963-09-01

    The Thermox process is a process developed by AB Atomenergi for the decladding and dissolution of irradiated Zircaloy-2 clad uranium dioxide fuel elements and consists of the following stages: 1. Decladding by means of thermal oxidation of the Zircaloy-2 with oxygen and water vapour at 825 C using nitrogen as a catalyst. 2. Oxidation of the uranium dioxide pellets with air and oxygen to U 3 O 8 at a temperature of 450 - 650 C. 3. Dissolving and leaching the uranium oxides with dilute nitric acid leaving the insoluble zirconium oxide as a residue. 4. Filtering the solution and washing the residues of the cladding. The work has included the following parts; The laboratory scale investigation of the conditions for the oxidation of Zircaloy-2 in various gas mixtures and of the conditions for oxidizing and dissolving sintered UO 2 pellets; The development on a pilot plant scale of suitable apparatus and process techniques for the safe and reproducible treatment of half length inactive fuel elements; Studies of some special operation and handling problems, which have to be solved before the method can be applied in full scale. Five half length fuel elements have been treated, and the results have been satisfactory. The pilot plant experiments have proved that inactive fuel elements can be decanned, oxidized and dissolved by means of the Thermox process. Solutions and canning residues are easy to filter, separate, and handle and are free from corroding agents. The uranium losses can be kept very low. The zirconium dioxide is obtained in a form suitable for permanent disposal

  10. Toxicity of jet fuel aliphatic and aromatic hydrocarbon mixtures on human epidermal Keratinocytes: evaluation based on in vitro cytotoxicity and interleukin-8 release

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Jen-Hung (Chung-Shan Medical University Hospital, Department of Dermatology, Taichung, Taiwan, R.O.C); Lee, Chia-Hue; Tsang, Chau-Loong [National Chung-Hsing University, College of Veterinary Medicine, Taichung (Taiwan); Monteiro-Riviere, Nancy A.; Riviere, Jim E. [North Carolina State University, Center for Chemical Toxicology Research and Pharmacokinetics (CCTRP), Raleigh, NC (United States); Chou, Chi-Chung [National Chung-Hsing University, College of Veterinary Medicine, Taichung (Taiwan); National Chung-Hsing University, College of Veterinary Medicine, Taichung (Taiwan)

    2006-08-15

    Jet fuels are complex mixtures of aliphatic (ALI) and aromatic (ARO) hydrocarbons that vary significantly in individual cytotoxicity and proinflammatory activity in human epidermal keratinocytes (HEK). In order to delineate the toxicological interactions among individual hydrocarbons in a mixture and their contributions to cutaneous toxicity, nine ALI and five ARO hydrocarbons were each divided into five (high/medium/low cytotoxic and strong/weak IL-8 induction) groups and intra/inter-mixed to assess for their mixture effects on HEK mortality and IL-8 release. Addition of single hydrocarbon to JP-8 fuel was also evaluated for their changes in fuel dermatotoxicity. The results indicated that when hydrocarbons were mixed, HEK mortality and IL-8 release were not all predictable by their individual ability affecting these two parameters. The lowest HEK mortality (7%) and the highest IL-8 production were induced with mixtures including high cytotoxic and weak IL-8 inductive ARO hydrocarbons. Antagonistic reactions not consistently correlated with ALI carbon chain length and ARO structure were evident and carried different weight in the overall mixture toxicities. Single addition of benzene, toluene, xylene or ethylbenzene for up to tenfold in JP-8 did not increase HEK mortality while single addition of ALI hydrocarbons exhibited dose-related differential response in IL-8. In an all ALI environment, no single hydrocarbon is the dominating factor in the determination of HEK cytotoxicity while deletion of hexadecane resulted in a 2.5-fold increase in IL-8 production. Overall, decane, undecane and dodecane were the major hydrocarbons associated with high cytotoxicity while tetradecane, pentadecane and hexadecane were those which had the greatest buffering effect attenuating dermatotoxicity. The mixture effects must be considered when evaluating jet fuel toxicity to HEK. (orig.)

  11. Time-activity relationships to VOC personal exposure factors

    Science.gov (United States)

    Edwards, Rufus D.; Schweizer, Christian; Llacqua, Vito; Lai, Hak Kan; Jantunen, Matti; Bayer-Oglesby, Lucy; Künzli, Nino

    Social and demographic factors have been found to play a significant role in differences between time-activity patterns of population subgroups. Since time-activity patterns largely influence personal exposure to compounds as individuals move across microenvironments, exposure subgroups within the population may be defined by factors that influence daily activity patterns. Socio-demographic and environmental factors that define time-activity subgroups also define quantifiable differences in VOC personal exposures to different sources and individual compounds in the Expolis study. Significant differences in exposures to traffic-related compounds ethylbenzene, m- and p-xylene and o-xylene were observed in relation to gender, number of children and living alone. Categorization of exposures further indicated time exposed to traffic at work and time in a car as important determinants. Increased exposures to decane, nonane and undecane were observed for males, housewives and self-employed. Categorization of exposures indicated exposure subgroups related to workshop use and living downtown. Higher exposures to 3-carene and α-pinene commonly found in household cleaning products and fragrances were associated with more children, while exposures to traffic compounds ethylbenzene, m- and p-xylene and o-xylene were reduced with more children. Considerable unexplained variation remained in categorization of exposures associated with home product use and fragrances, due to individual behavior and product choice. More targeted data collection methods in VOC exposure studies for these sources should be used. Living alone was associated with decreased exposures to 2-methyl-1-propanol and 1-butanol, and traffic-related compounds. Identification of these subgroups may help to reduce the large amount of unexplained variation in VOC exposure studies. Further they may help in assessing impacts of urban planning that result in changes in behavior of individuals, resulting in shifts in

  12. A comprehensive skeletal mechanism for the oxidation of n-heptane generated by chemistry-guided reduction

    Energy Technology Data Exchange (ETDEWEB)

    Zeuch, Thomas [Institut fuer Physikalische Chemie, Tammannstrasse 6, 37077 Goettingen (Germany); Moreac, Gladys [Renault, 1, avenue du Golf, 78288 Guyancourt cedex (France); Ahmed, Syed Sayeed; Mauss, Fabian [Lehrstuhl fuer Thermodynamik und Thermische Verfahrenstechnik, Sielower Strasse 12, 03044 Cottbus (Germany)

    2008-12-15

    Applied to the primary reference fuel n-heptane, we present the chemistry-guided reduction (CGR) formalism for generating kinetic hydrocarbon oxidation models. The approach is based on chemical lumping and species removal with the necessity analysis method, a combined reaction flow and sensitivity analysis. Independent of the fuel size, the CGR formalism generates very compact submodels for the alkane low-temperature oxidation and provides a general concept for the development of compact oxidation models for large model fuel components such as n-decane and n-tetradecane. A defined sequence of simplification steps, consisting of the compilation of a compact detailed chemical model, the application of linear chemical lumping, and finally species removal based on species necessity values, allows a significantly increased degree of reduction compared to the simple application of the necessity analysis, previously published species, or reaction removal methods. The skeletal model derived by this procedure consists of 110 species and 1170 forward and backward reactions and is validated against the full range of combustion conditions including low and high temperatures, fuel-lean and fuel-rich mixtures, pressures between 1 and 40 bar, and local (species concentration profiles in flames, plug flow and jet-stirred reactors, and reaction sensitivity coefficients) and global parameters (ignition delay times in shock tube experiments, ignition timing in a HCCI engine, and flame speeds). The species removal is based on calculations using a minimum number of parameter configurations, but complemented by a very broad parameter variation in the process of compiling the kinetic input data. We further demonstrate that the inclusion of sensitivity coefficients in the validation process allows efficient control of the reduction process. Additionally, a compact high-temperature n-heptane oxidation model of 47 species and 468 reactions was generated by the application of necessity

  13. Determination of C10-chloroalkane residues in fish matrices by short column gas chromatography/electron capture negative ion low resolution mass spectrometry applying single pure and representative synthesised chlorodecanes as standards

    International Nuclear Information System (INIS)

    Beaume, Florence; Coelhan, Mehmet; Parlar, Harun

    2006-01-01

    A new chlorodecane (CD) standard was developed consisting of five single compounds with 5-9 Cl-atoms, with which it was possible to determine chlorodecane residues in fish matrices from different countries using short column gas chromatography/electron capture negative ion low resolution mass spectrometry (SCGC/ECNI-LRMS). The concentrations found were between 4.8 and 30.2 ng/g fat. Pentachlorodecanes could not be detected in all samples. For an evaluation of the new CD-standard, the fish matrices were also quantified by several other polychlorinated decane (CP10) standards with different chlorine grade: 50, 55, 63.5, 65, and 70%. The concentrations found differed unsurprisingly considerable among the applied standards. Considering only these CP10:50-70% standards that showed the highest similarity in peak patterns with the fish samples, the differences in observed chlorodecane concentrations between these standards and the new CD-standard were low, varying only 1-16%. The CP10:50-70% standards were further quantified with the new CD-standard (chlorine content, 58.2%) with neglectable observed differences to the CP10:60, 63.5, and 65% standards. Highest differences were observed to the CP10:50, 55, and 70% standards. By this work, the quantification of eco-toxicologically relevant C10-chloroparaffins using the new CD-standard has led to reproducible and reliable results, which indicates further that these compounds are still a concerning class of substances in environmental fish samples

  14. Composition of the essential oil constituents from leaves and stems of Korean Coriandrum sativum and their immunotoxicity activity on the Aedes aegypti L.

    Science.gov (United States)

    Chung, Ill-Min; Ahmad, Ateeque; Kim, Sun-Jin; Naik, Poornanand Madhava; Nagella, Praveen

    2012-02-01

    The leaves and stems of Coriandrum sativum were extracted and the essential oil composition and immunotoxicity effects were studied. The analyses were conducted by gas chromatography-mass spectroscopy (GC-MS), which revealed the essential oils of C. sativum leaves and stems. Thirty-nine components representing 99.62% of the total oil were identified from the leaves. The major components are cyclododecanol (23.11%), tetradecanal (17.86%), 2-dodecenal (9.93%), 1-decanol (7.24%), 13-tetradecenal (6.85%), 1-dodecanol (6.54%), dodecanal (5.16%), 1-undecanol (2.28%), and decanal (2.33%). Thirty-eight components representing 98.46% of the total oil were identified from the stems of the coriander. The major components are phytol (61.86%), 15-methyltricyclo[6.5.2(13,14),0(7,15)]-pentadeca-1,3,5,7,9,11,13-heptene (7.01%), dodecanal (3.18%), and 1-dodecanol (2.47%). The leaf oil had significant toxic effects against the larvae of Aedes aegypti with an LC₅₀ value of 26.93 ppm and an LC₉₀ value of 37.69 ppm and the stem oil has toxic effects against the larvae of A. aegypti with an LC₅₀ value of 29.39 ppm and an LC₉₀ value of 39.95 ppm. Also, the above data indicate that the major compounds may play an important role in the toxicity of essential oils.

  15. Flame Spread and Group-Combustion Excitation in Randomly Distributed Droplet Clouds with Low-Volatility Fuel near the Excitation Limit: a Percolation Approach Based on Flame-Spread Characteristics in Microgravity

    Science.gov (United States)

    Mikami, Masato; Saputro, Herman; Seo, Takehiko; Oyagi, Hiroshi

    2018-03-01

    Stable operation of liquid-fueled combustors requires the group combustion of fuel spray. Our study employs a percolation approach to describe unsteady group-combustion excitation based on findings obtained from microgravity experiments on the flame spread of fuel droplets. We focus on droplet clouds distributed randomly in three-dimensional square lattices with a low-volatility fuel, such as n-decane in room-temperature air, where the pre-vaporization effect is negligible. We also focus on the flame spread in dilute droplet clouds near the group-combustion-excitation limit, where the droplet interactive effect is assumed negligible. The results show that the occurrence probability of group combustion sharply decreases with the increase in mean droplet spacing around a specific value, which is termed the critical mean droplet spacing. If the lattice size is at smallest about ten times as large as the flame-spread limit distance, the flame-spread characteristics are similar to those over an infinitely large cluster. The number density of unburned droplets remaining after completion of burning attained maximum around the critical mean droplet spacing. Therefore, the critical mean droplet spacing is a good index for stable combustion and unburned hydrocarbon. In the critical condition, the flame spreads through complicated paths, and thus the characteristic time scale of flame spread over droplet clouds has a very large value. The overall flame-spread rate of randomly distributed droplet clouds is almost the same as the flame-spread rate of a linear droplet array except over the flame-spread limit.

  16. Metabolites from inhalation of aerosolized S-8 synthetic jet fuel in rats.

    Science.gov (United States)

    Tremblay, Raphael T; Martin, Sheppard A; Fisher, Jeffrey W

    2011-01-01

    Alternative fuels are being considered for civilian and military uses. One of these is S-8, a replacement jet fuel synthesized using the Fischer-Tropsch process, which contains no aromatic compounds and is mainly composed of straight and branched alkanes. Metabolites of S-8 fuel in laboratory animals have not been identified. The goal of this study was to identify metabolic products from exposure to aerosolized S-8 and a designed straight-chain alkane/polyaromatic mixture (decane, undecane, dodecane, tridecane, tetradecane, pentadecane, naphthalene, and 2-methylnaphthalene) in male Fischer 344 rats. Collected blood and tissue samples were analyzed for 70 straight and branched alcohols and ketones ranging from 7 to 15 carbons. No fuel metabolites were observed in the blood, lungs, brain, and fat following S-8 exposure. Metabolites were detected in the liver, urine, and feces. Most of the metabolites were 2- and 3-position alcohols and ketones of prominent hydrocarbons with very few 1- or 4-position metabolites. Following exposure to the alkane mixture, metabolites were observed in the blood, liver, and lungs. Interestingly, heavy metabolites (3-tridecanone, 2-tridecanol, and 2-tetradecanol) were observed only in the lung tissues possibly indicating that metabolism occurred in the lungs. With the exception of these heavy metabolites, the metabolic profiles observed in this study are consistent with previous studies reporting on the metabolism of individual alkanes. Further work is needed to determine the potential metabolic interactions of parent, primary, and secondary metabolites and identify more polar metabolites. Some metabolites may have potential use as biomarkers of exposure to fuels.

  17. Model study of enhanced oil recovery by flooding with aqueous surfactant solution and comparison with theory.

    Science.gov (United States)

    Fletcher, Paul D I; Savory, Luke D; Woods, Freya; Clarke, Andrew; Howe, Andrew M

    2015-03-17

    With the aim of elucidating the details of enhanced oil recovery by surfactant solution flooding, we have determined the detailed behavior of model systems consisting of a packed column of calcium carbonate particles as the porous rock, n-decane as the trapped oil, and aqueous solutions of the anionic surfactant sodium bis(2-ethylhexyl) sulfosuccinate (AOT). The AOT concentration was varied from zero to above the critical aggregation concentration (cac). The salt content of the aqueous solutions was varied to give systems of widely different, post-cac oil-water interfacial tensions. The systems were characterized in detail by measuring the permeability behavior of the packed columns, the adsorption isotherms of AOT from the water to the oil-water interface and to the water-calcium carbonate interface, and oil-water-calcium carbonate contact angles. Measurements of the percent oil recovery by pumping surfactant solutions into calcium carbonate-packed columns initially filled with oil were analyzed in terms of the characterization results. We show that the measured contact angles as a function of AOT concentration are in reasonable agreement with those calculated from values of the surface energy of the calcium carbonate-air surface plus the measured adsorption isotherms. Surfactant adsorption onto the calcium carbonate-water interface causes depletion of its aqueous-phase concentration, and we derive equations which enable the concentration of nonadsorbed surfactant within the packed column to be estimated from measured parameters. The percent oil recovery as a function of the surfactant concentration is determined solely by the oil-water-calcium carbonate contact angle for nonadsorbed surfactant concentrations less than the cac. For surfactant concentrations greater than the cac, additional oil removal occurs by a combination of solubilization and emulsification plus oil mobilization due to the low oil-water interfacial tension and a pumping pressure increase.

  18. Characterization of aroma-active compounds in dry flower of Malva sylvestris L. by GC-MS-O analysis and OAV calculations.

    Science.gov (United States)

    Usami, Atsushi; Kashima, Yusei; Marumoto, Shinsuke; Miyazawa, Mitsuo

    2013-01-01

    In this study, the aroma-active compounds in the dried flower of Malva sylvestris L. were extracted by hydrodistillation and analyzed by gas chromatography-mass spectrometry (GC-MS), and gas chromatography-olfactometry (GC-O) and aroma extraction dilution analysis (AEDA). A light yellow oil with a sweet odor was obtained with a percentage yield of 0.039% (w/w), and 143 volatile compounds (89.86%) were identified by GC-MS. The main compounds were hexadecanoic acid (10.1%), pentacosane (4.8%) and 6,10,14-trimethyl-2-pentadecanone (4.1%). The essential oil consisted mainly of hydrocarbons (25.40%) followed by, alcohols (18.78%), acids (16.66%), ethers (5.01%) ketones (7.28%), esters(12.43%), aldehydes (2.30%) and others (2.00%). Of these compounds, 20 were determined by GC-O and AEDA, to be odor-active (FD (flavor dilution) factor ≥ 1). β-Damascenone (FD = 9, sweet), phenylacetaldehyde (FD = 8, floral, honey-like) and (E)-β-ocimene (FD = 8, spicy) were the most intense aroma-active compounds in M. sylvestris. In order to determine the relative contribution of each of the compounds to the aroma of M. sylvestris, odor activity values (OAVs) were used. β-Damascenone had the highest odor activity values (OAV) (50,700), followed by (E)-β-ionone (15,444) and decanal (3,510). In particular, β-damascenone had a high FD factors, and therefore, this compound was considered to be the main aroma-active components of the essential oil. On the basis of AEDA, OAVs, and sensory evaluation results, β-damascenone is estimated to be the main aroma-active compound of the essential oil.

  19. Socioeconomic and personal behavioral factors affecting children's exposure to VOCs in urban areas in Korea.

    Science.gov (United States)

    Byun, Hyaejeong; Ryu, Kyongnam; Jang, Kyungjo; Bae, Hyunjoo; Kim, Dongjin; Shin, Hosung; Chu, Jangmin; Yoon, Chungsik

    2010-02-01

    Volatile organic compounds (VOCs) are known to cause adverse health effects. We investigated the relationships between children's VOC exposure and socioeconomic and human activity factors with passive personal samplers, questionnaires, and time-activity diaries (TAD). Statistical analyses were conducted using SAS 9.1, and the results were organized using SigmaPlot 8.0 software. Chemicals such as benzene, toluene, 2-butanone, ethylbenzene, xylene, chloroform, n-hexane, heptane, and some kinds of decanes, which are known to adversely affect public health, were identified in measured samples. These were mainly emitted from outdoor sources (e.g., vehicular traffic) or indoor sources (e.g., household activities such as cooking and cleaning) or both. We concluded that region was the most important socioeconomic factor affecting children's VOC exposure, and the significant compounds were n-hexane (p = 0.006), 1,1,1-trichloroethane (p = 0.001), benzene (p = 0.003), toluene (p = 0.002), ethylbenzene (p = 0.020), m-, p-xylene (p = 0.014), dodecane (p = 0.003), and hexadecane (p = 0.001). Parental education, year of home construction and type of housing were also slightly correlated with personal VOC exposure. Only the concentration of o-xylene (p = 0.027) was significantly affected by the parental education, and the concentrations of benzene (p = 0.030) and 2-butanone (p = 0.049) by the type of housing. Also, tridecane (p = 0.049) and n-hexane (p = 0.033) were significantly associated with the year of home construction. When household activities such as cooking were performed indoors, children's VOC concentrations tended to be higher, especially for n-hexane, chloroform, heptane, toluene (p factors simultaneously, socioeconomic factors such as region had a greater effect on children's VOC exposures than indoor activities. From this study, we can suggest that socioeconomic factors as well as environmental factors should be considered when formulating environmental policy to

  20. Size-dependent properties of silica nanoparticles for Pickering stabilization of emulsions and foams

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Ijung, E-mail: ijungkim@utexas.edu [The University of Texas at Austin, Department of Petroleum and Geosystems Engineering (United States); Worthen, Andrew J.; Johnston, Keith P. [The University of Texas at Austin, McKetta Department of Chemical Engineering (United States); DiCarlo, David A.; Huh, Chun [The University of Texas at Austin, Department of Petroleum and Geosystems Engineering (United States)

    2016-04-15

    Nanoparticles are a promising alternative to surfactants to stabilize emulsions or foams in enhanced oil recovery (EOR) processes due to their effectiveness in very harsh environments found in many of the oilfields around the world. While the size-dependent properties of nanoparticles have been extensively studied in the area of optics or cellular uptake, little is known on the effects of nanoparticle size on emulsion/foam generation, especially for EOR applications. In this study, silica nanoparticles with four different sizes (5, 12, 25, and 80 nm nominal diameter) but with the same surface treatment were employed to test their emulsion or foam generation behavior in high-salinity conditions. The decane-in-brine emulsion generated by sonication or flowing through sandpack showed smaller droplet size and higher apparent viscosity as the nanoparticle size decreased. Similarly, the CO{sub 2}-in-brine foam generation in sandstone or sandpacks was also significantly affected by the nanoparticle size, exhibiting higher apparent foam viscosity as the nanoparticle size decreased. In case of foam generation in sandstone cores with 5 nm nanoparticles, a noticeable hysteresis occurred when the flow velocity was initially increased and then decreased, implying a strong foam generation initially; and then the trapping of the generated foam in the rock pores, as the flow velocity decreased. On the other hand, weak foams stabilized with larger nanoparticles indicated a rapid coalescence of bubbles which prevented foam generation. Overall, stable emulsions/foams were achievable by the smaller particles as a result of greater diffusivity and/or higher number concentration, thus allowing more nanoparticles with higher surface area to volume ratio to be adsorbed at the fluid/fluid interfaces of the emulsion/foam dispersion.Graphical abstract.

  1. Extraction of beryllium sulfate by a long chain amine; Extraction du sulfate de beryllium par une amine a longue chaine

    Energy Technology Data Exchange (ETDEWEB)

    Etaix, E S [Commissariat a l' Energie Atomique, Fontenay-Aux-Roses (France). Centre d' Etudes Nucleaires

    1968-06-01

    The extraction of sulfuric acid in aqueous solution by a primary amine in benzene solution, 3-9 (diethyl) - 6-amino tri-decane (D.E.T. ) - i.e., with American nomenclature 1-3 (ethyl-pentyl) - 4-ethyl-octyl amine (E.P.O.) - has made it possible to calculate the formation constants of alkyl-ammonium sulfate and acid sulfate. The formula of the beryllium and alkyl-ammonium sulfate complex formed in benzene has next been determined, for various initial acidity of the aqueous solution. Lastly, evidence has been given of negatively charged complexes of beryllium and sulfate in aqueous solution, through the dependence of the aqueous sulfate ions concentration upon beryllium extraction. The formation constant of these anionic complexes has been evaluated. (author) [French] L'etude de l'extraction de l'acide sulfurique en solution aqueuse par une amine primaire en solution dans le benzene, le diethyl-3,9 amino-6 tridecane (D.E.T.) - autre nom americain 1-3 (ethylpentyl) - 4-ethyloctylamine (E.P.O.) a permis de calculer les constantes de formation du sulfate et de l'hydrogenosulfate d'alkyl-ammonium. La formule du complexe de sulfate de beryllium et d'alkyl-ammonium forme en solution benzenique a ete ensuite determinee pour diverses acidites initiales de la solution aqueuse. Enfin, l'influence de la concentration des ions sulfate de la phase aqueuse sur l'extraction du beryllium a mis en evidence la formation en solution aqueuse de complexes anioniques de sulfate et de beryllium dont la constante de formation a ete evaluee. (auteur)

  2. Modulation of neutrophil superoxide generation by inhibitors of protein kinase C, calmodulin, diacylglycerol and myosin light chain kinases, and peptidyl prolyl cis-trans isomerase.

    Science.gov (United States)

    Bergstrand, H; Eriksson, T; Hallberg, A; Johansson, B; Karabelas, K; Michelsen, P; Nybom, A

    1992-12-01

    To assess the role of protein kinase C (PKC) in the respiratory burst of adherent human polymorphonuclear leukocytes (PMNL), reduction of ferricytochrome C by cells triggered with a phorbol ester (PMA), ionophore A23187, serum-treated zymosan (STZ) or three lipid derivatives, 3-decanoyl-sn-glycerol (G-3-OCOC9), (R,R)-1,4-diethyl-2-O-decyl-L-tartrate (Tt-2-OC10) and 3-decyloxy-5-hydroxymethylphenol (DHP) was examined in a microtiter plate procedure in the presence of inhibitors of PKC and, for comparison, inhibitors of calmodulin, diacylglycerol and myosin light chain kinases and the peptidyl-prolyl cis-trans isomerase activity of fujiphilin. 1) Of the protein kinase inhibitors examined, Ro 31-7549 and staurosporine reduced responses to all stimuli except possibly STZ; in contrast, K252a and the myosin light chain kinase inhibitors ML-7 and ML-9 blocked responses to A23187 and STZ better than those triggered by PMA. H-7 reduced responses to A23187, DHP and G-3-OCOC9, and calphostin, palmitoyl carnitine, sphingosine and the multifunctional drugs TMB-8 and W-7 reduced A23187; they also, when examined, reduced decane derivative-induced O2- production more effectively than PMA- and STZ-triggered responses. Polymyxin B, 4 alpha-PMA and retinal displayed no inhibitory capacity. 2) Of the selective calmodulin antagonists, CGS 9343B, Ro 22-4839 and calmidazolium did not inhibit the oxidative response irrespective of the stimulus used, whereas metofenazate reduced those evoked by A23187, DHP, G-3-OCOC9 and STZ.(ABSTRACT TRUNCATED AT 250 WORDS)

  3. Volatile molecular markers of VOO Thermo-oxidation: Effect of heating processes, macronutrients composition, and olive ripeness on the new emitted aldehydic compounds.

    Science.gov (United States)

    Oueslati, Imen; Manaï, Hédia; Madrigal-Martínez, Mónica; Martínez-Cañas, Manuel A; Sánchez-Casas, Jacinto; Zarrouk, Mokhtar; Flamini, Guido

    2018-04-01

    Heating operation has been applied to Chétoui extra-virgin olive oils (EVOOs) extracted from fruits with several ripening stages (RS). The studied samples, were subjected to microwave and conventional heating. Results showed that heated VOOs after 2.5 h and 7 min of conventional and microwave heating, respectively, gave rise to a drastically decrease of LOX products and allowed the detection of toxic new formed aldehydic volatiles (alkanal: nonanal, alkenals: (Z)-2-heptenal and (E)-2-decenal, and alkadienals: (E.E)-2.4-decadienal), which can be used as markers of VOO degradation. Their abundance in the VOO headspaces depends on their boiling points, the rate of their possible degradation to yield other compounds, on the heating processes and on the rate of macronutrients. The emission rate of the new synthesized volatiles during heating processes was mainly attributed to enzymatic oxidation of some fatty acids. Hexanal, (Z)-2-heptenal, (E)-2-octenal, (E)-2-nonenal, (E,E) and (E,Z)-2,4-decadienal, and (E,E)-2,4-nonadienal, derived from linoleic acid, and heptanol, octanal, nonanal, decanal, (E) and (Z)-2-decenal, (E)-2-undecenal, and (E,E)-2,4-nonadienal, are emitted after degradation of oleic acid. During thermo-oxidation, the ECN 44 (LLO, and OLnO), and the ECN 46 (OLO, and PLO + SLL) compounds decreased, whereas, the ECN 48 (OOO, and PPO), and the ECN 50 (SOO) compounds increased when temperature and heating time increased. The several variations of the studied biochemical compounds depend to the heating processes. Ripening stage of olive fruits can be used as a tool to monitor the emission rate of the aldehydic volatiles, but cannot be used for a chemometric discrimination. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. Mecamylamine, dihydro-β-erythroidine, and dextromethorphan block conditioned responding evoked by the conditional stimulus effects of nicotine

    Science.gov (United States)

    Struthers, Amanda M.; Wilkinson, Jamie L.; Dwoskin, Linda P.; Crooks, Peter A.; Bevins, Rick A.

    2009-01-01

    Current smokers express the desire to quit. However, the majority find it difficult to remain abstinent. As such, research efforts continually seek to develop more effective treatment. One such area of research involves the interoceptive stimulus effects of nicotine as either a discriminative stimulus in an operant drug discrimination task, or more recently as a conditional stimulus (CS) in a discriminated goal-tracking task. The present work investigated the potential role nicotinic acetylcholine receptors in the CS effects of nicotine (0.4 mg/kg) using antagonists with differential selectivity for β2*, α7*, α6β2*, and α3β4* receptors. Methyllycaconitine (MLA) had no effect on nicotine-evoked conditioned responding. Mecamylamine and dihydro-β-erythroidine (DHβE) dose dependently blocked responding evoked by the nicotine CS. In a time-course assessment of mecamylamine and DHβE, each blocked conditioned responding when given 5 min before testing and still blocked conditioned responding when administered 200 min before testing. Two novel bis-picolinium analogs (N, N’-(3, 3′-(dodecan-1,12-diyl)-bis-picolinium dibromide [bPiDDB], and N, N’-(decan-1,10-diyl)-bis-picolinium diiodide [bPiDI]) did not block nicotine-evoked conditioned responding. Finally, pretreatment with low dose combinations of mecamylamine, dextromethorphan, and/or bupropion were used to target α3β4* receptors. No combination blocked conditioned responding evoked by the training dose of nicotine. However, a combination of mecamylamine and dextromethorphan partially blocked nicotine-evoked conditioned responding to a lower dose of nicotine (0.1 mg/kg). These results indicate that β2* and potentially α3β4* nicotinic acetylcholine receptors play a role in the CS effects of nicotine and are potential targets for the development of nicotine cessation aids. PMID:19778551

  5. Extraction of beryllium sulfate by a long chain amine; Extraction du sulfate de beryllium par une amine a longue chaine

    Energy Technology Data Exchange (ETDEWEB)

    Etaix, E.S. [Commissariat a l' Energie Atomique, Fontenay-Aux-Roses (France). Centre d' Etudes Nucleaires

    1968-06-01

    The extraction of sulfuric acid in aqueous solution by a primary amine in benzene solution, 3-9 (diethyl) - 6-amino tri-decane (D.E.T. ) - i.e., with American nomenclature 1-3 (ethyl-pentyl) - 4-ethyl-octyl amine (E.P.O.) - has made it possible to calculate the formation constants of alkyl-ammonium sulfate and acid sulfate. The formula of the beryllium and alkyl-ammonium sulfate complex formed in benzene has next been determined, for various initial acidity of the aqueous solution. Lastly, evidence has been given of negatively charged complexes of beryllium and sulfate in aqueous solution, through the dependence of the aqueous sulfate ions concentration upon beryllium extraction. The formation constant of these anionic complexes has been evaluated. (author) [French] L'etude de l'extraction de l'acide sulfurique en solution aqueuse par une amine primaire en solution dans le benzene, le diethyl-3,9 amino-6 tridecane (D.E.T.) - autre nom americain 1-3 (ethylpentyl) - 4-ethyloctylamine (E.P.O.) a permis de calculer les constantes de formation du sulfate et de l'hydrogenosulfate d'alkyl-ammonium. La formule du complexe de sulfate de beryllium et d'alkyl-ammonium forme en solution benzenique a ete ensuite determinee pour diverses acidites initiales de la solution aqueuse. Enfin, l'influence de la concentration des ions sulfate de la phase aqueuse sur l'extraction du beryllium a mis en evidence la formation en solution aqueuse de complexes anioniques de sulfate et de beryllium dont la constante de formation a ete evaluee. (auteur)

  6. On-board measurements of gaseous pollutant emission characteristics under real driving conditions from light-duty diesel vehicles in Chinese cities.

    Science.gov (United States)

    Wang, Gang; Cheng, Shuiyuan; Lang, Jianlei; Li, Song; Tian, Liang

    2016-08-01

    A total of 15 light-duty diesel vehicles (LDDVs) were tested with the goal of understanding the emission factors of real-world vehicles by conducting on-board emission measurements. The emission characteristics of hydrocarbons (HC) and nitrogen oxides (NOx) at different speeds, chemical species profiles and ozone formation potential (OFP) of volatile organic compounds (VOCs) emitted from diesel vehicles with different emission standards were analyzed. The results demonstrated that emission reductions of HC and NOx had been achieved as the control technology became more rigorous from Stage I to Stage IV. It was also found that the HC and NOx emissions and percentage of O2 dropped with the increase of speed, while the percentage of CO2 increased. The abundance of alkanes was significantly higher in diesel vehicle emissions, approximately accounting for 41.1%-45.2%, followed by aromatics and alkenes. The most abundant species were propene, ethane, n-decane, n-undecane, and n-dodecane. The maximum incremental reactivity (MIR) method was adopted to evaluate the contributions of individual VOCs to OFP. The results indicated that the largest contributors to O3 production were alkenes and aromatics, which accounted for 87.7%-91.5%. Propene, ethene, 1,2,4-trimethylbenzene, 1-butene, and 1,2,3-trimethylbenzene were the top five VOC species based on their OFP, and accounted for 54.0%-64.8% of the total OFP. The threshold dilution factor was applied to analyze the possibility of VOC stench pollution. The majority of stench components emitted from vehicle exhaust were aromatics, especially p-diethylbenzene, propylbenzene, m-ethyltoluene, and p-ethyltoluene. Copyright © 2016. Published by Elsevier B.V.

  7. Surface emission determination of volatile organic compounds (VOC) from a closed industrial waste landfill using a self-designed static flux chamber.

    Science.gov (United States)

    Gallego, E; Perales, J F; Roca, F J; Guardino, X

    2014-02-01

    Closed landfills can be a source of VOC and odorous nuisances to their atmospheric surroundings. A self-designed cylindrical air flux chamber was used to measure VOC surface emissions in a closed industrial landfill located in Cerdanyola del Vallès, Catalonia, Spain. The two main objectives of the study were the evaluation of the performance of the chamber setup in typical measurement conditions and the determination of the emission rates of 60 different VOC from that industrial landfill, generating a valuable database that can be useful in future studies related to industrial landfill management. Triplicate samples were taken in five selected sampling points. VOC were sampled dynamically using multi-sorbent bed tubes (Carbotrap, Carbopack X, Carboxen 569) connected to SKC AirCheck 2000 pumps. The analysis was performed by automatic thermal desorption coupled with a capillary gas chromatograph/mass spectrometry detector. The emission rates of sixty VOC were calculated for each sampling point in an effort to characterize surface emissions. To calculate average, minimum and maximum emission values for each VOC, the results were analyzed by three different methods: Global, Kriging and Tributary area. Global and Tributary area methodologies presented similar values, with total VOC emissions of 237 ± 48 and 222 ± 46 g day(-1), respectively; however, Kriging values were lower, 77 ± 17 gd ay(-1). The main contributors to the total emission rate were aldehydes (nonanal and decanal), acetic acid, ketones (acetone), aromatic hydrocarbons and alcohols. Most aromatic hydrocarbon (except benzene, naphthalene and methylnaphthalenes) and aldehyde emission rates exhibited strong correlations with the rest of VOC of their family, indicating a possible common source of these compounds. B:T ratio obtained from the emission rates of the studied landfill suggested that the factors that regulate aromatic hydrocarbon distributions in the landfill emissions are different from the ones

  8. Immobilization of cholesterol esterase in mesoporous silica materials and its hydrolytic activity toward diethyl phthalate

    Energy Technology Data Exchange (ETDEWEB)

    Orita, Toru, E-mail: nqj45366@nifty.com [Division of Chemistry for Materials, Graduate School of Engineering, Mie University, 1577 Kurimamachiya-cho, Tsu, Mie 514-8570 (Japan); Taiyo Kagaku Co. Ltd., 800 Yamada-cho, Yokkaichi, Mie 512-1111 (Japan); Tomita, Masahiro [Division of Chemistry for Materials, Graduate School of Engineering, Mie University, 1577 Kurimamachiya-cho, Tsu, Mie 514-8570 (Japan); Saito, Takao; Nishida, Nasakazu; Kato, Katsuya [National Institute of Advanced Industrial Science and Technology, 2266-78 Anagahora, Moriyamaku, Nagoya, Aichi 463-8560 (Japan)

    2012-05-01

    Cholesterol esterase (CE, cholesteryl ester hydrolase, EC 3.1.1.13) from porcine pancreas (molecular weight 400-500 kDa) exhibits hydrolytic activity toward various toxic organic phthalate esters. CE was confined in the nanospace (diameter 3-30 nm) of five types of mesoporous silica (MPS) that differ in structural properties such as pore diameter, pore volume, and particle morphology. These structural properties were characterized by transmission electron microscopy, small-angle X-ray diffraction, N{sub 2} adsorption-desorption experiments, solid-state {sup 13}C nuclear magnetic resonance (NMR), and solid-state {sup 29}Si NMR. Catalytic activities of immobilized and free CE were evaluated by the hydrolysis of diethyl phthalate in phosphate buffer solutions containing an organic cosolvent. Optimal activity recovery was achieved when CE was immobilized in n-decane-functionalized MPS, which had a large pore size (22.5 nm). The immobilization also protected against effects of temperature within the range 30 Degree-Sign C-60 Degree-Sign C; CE immobilized in n-decyl-functionalized MPS exhibited better thermal stability than in non-functionalized MPS or free CE. Moreover, it retained approximately 60% of its catalytic activity even after six catalytic cycles. - Highlights: Black-Right-Pointing-Pointer The highest activity of immobilized CE was shown in MPS with a pore size of 22.5 nm. Black-Right-Pointing-Pointer Catalytic efficiency improved when MPS was functionalized by n-decyl substitution. Black-Right-Pointing-Pointer Immobilized CE exhibited good thermal stability and reusability. Black-Right-Pointing-Pointer Organic co-solvent and the substrate structures affected enzyme activities.

  9. Solubility of metallic mercury in organic solvents; Solubilite du mercure metallique dans les solvants organiques; Rastvorimost' metallicheskoj rtuti v organicheskikh rastvoritelyakh; Solubilidad del mercurio metalico en solventes organicos

    Energy Technology Data Exchange (ETDEWEB)

    Klehr, E H; Voigt, A F [Institute for Atomic Research and Department of Chemistry, Iowa State University, Ames, IA (United States)

    1962-03-15

    The solubilities of metallic mercury at 25{sup o}C in the solvents carbon tetrachloride, 2, 2, 4-trimethylpentane, n-decane, benzene, toluene, nitrobenzene, chlorobenzene and bromobenzene have been determined by the use of Hg{sup 203} tracer. Measurements were made either by shaking mercury metal of known specific activity with the solvent, or by measuring the distribution coefficient of the metal between the solvent and water and combining this measurement with the solubility of mercury in water, or by both methods. Radioactivity was measured by counting precipitated samples with a GM counter or liquid aliquots with a well-type scintillator counter. All solubilities were in the range (4.6 to 16) x 10{sup -6} g atoms/l. For n-decane, toluene and chlorobenzene, the temperature dependence of the solubility was determined over the range 0 to 45{sup o}C. The Hildebrand-Scott theory of solubility has been applied to these systems for comparison. For the aliphatic hydrocarbons, the solubilities predicted by theory are within 35% of those observed, but for the other solvents, the predicted values are 4 to 18 times larger than those observed. Modification of the theory gives better agreement for some solvents but poorer agreement for others. Curves of log G (solubility) vs. 1/T were straight lines with slopes similar to those obtained from the Hildebrand-Scott theory but displaced from those curves. The slopes of the curves were used for the calculation of heats and entropies of solution. Entropies were also calculated from curves of log G vs. log T. The two sets of entropy values were in agreement with each other and were within one to four entropy units of the ideal entropies of mixing. (author) [French] Les auteurs ont determine la solubilite du mercure metallique a 25{sup o}C dans les solvants suivants: tetrachlorure de carbone, trimethylpentane 2, 2, 4, n-decane, benzene, toluene, nitrobenzene, chlorobenzene et bromobenzene en utilisant le mercure-203 comme

  10. Petrophysical Properties of the Yeso, Abo and Cisco Formations in the Permian Basin in New Mexico, U.S.A

    Science.gov (United States)

    Mann, Griffin

    The area that comprises the Northwest Shelf in Lea Co., New Mexico has been heavily drilled over the past half century. The main target being shallow reservoirs within the Permian section (San Andres and Grayburg Formations). With a focus shifting towards deeper horizons, there is a need for more petrophysical data pertaining to these formations, which is the focus of this study through a variety of techniques. This study involves the use of contact angle measurements, fluid imbibition tests, Mercury Injection Capillary Pressure (MICP) and log analysis to evaluate the nano-petrophysical properties of the Yeso, Abo and Cisco Formation within the Northwest Shelf area of southeast New Mexico. From contact angle measurements, all of the samples studied were found to be oil-wetting as n-decane spreads on to the rock surface much quicker than the other fluids (deionized water and API brine) tested. Imbibition tests resulted in a well-connected pore network being observed for all of the samples with the highest values of imbibition slopes being recorded for the Abo samples. MICP provided a variety of pore structure data which include porosity, pore-throat size distributions, permeability and tortuosity. The Abo samples saw the highest porosity percentages, which were above 15%, with all the other samples ranging from 4 - 7%. The majority of the pore-throat sizes for most of the samples fell within the 1 - 10 mum range. The only exceptions to this being the Paddock Member within the Yeso Formation, which saw a higher percentage of larger pores (10 - 1000mum) and one of the Cisco Formation samples, which had the majority of its pore sizes fall in the 0.1 - 1 mum range. The log analysis created log calculations and curves for cross-plot porosity and water saturation that were then used to derive a value for permeability. The porosity and permeability values were comparable with those measured from our MICP and literature values.

  11. Enhanced oil recovery (EOR) by miscible CO{sub 2} and water flooding of asphaltenic and non-asphaltenic oils

    Energy Technology Data Exchange (ETDEWEB)

    Chukwudeme, E. A.; Hamouda, A. A. [Department of Petroleum Engineering, University of Stavanger, 4036 Stavanger (Norway)

    2009-07-01

    An EOR study has been performed applying miscible CO{sub 2} flooding and compared with that for water flooding. Three different oils are used, reference oil (n-decane), model oil (n-C10, SA, toluene and 0.35 wt % asphaltene) and crude oil (10 wt % asphaltene) obtained from the Middle East. Stearic acid (SA) is added representing a natural surfactant in oil. For the non-asphaltenic oil, miscible CO{sub 2} flooding is shown to be more favourable than that by water. However, it is interesting to see that for first years after the start of the injection (< 3 years) it is shown that there is almost no difference between the recovered oils by water and CO{sub 2}, after which (> 3 years) oil recovery by gas injection showed a significant increase. This may be due to the enhanced performance at the increased reservoir pressure during the first period. Maximum oil recovery is shown by miscible CO{sub 2} flooding of asphaltenic oil at combined temperatures and pressures of 50 {sup o}C/90 bar and 70 {sup o}C/120 bar (no significant difference between the two cases, about 1%) compared to 80 {sup o}C/140 bar. This may support the positive influence of the high combined temperatures and pressures for the miscible CO{sub 2} flooding; however beyond a certain limit the oil recovery declined due to increased asphaltene deposition. Another interesting finding in this work is that for single phase oil, an almost linear relationship is observed between the pressure drop and the asphaltene deposition regardless of the flowing fluid pressure. (author)

  12. X-ray Microtomography of Intermittency in Multiphase Flow at Steady State Using a Differential Imaging Method

    Science.gov (United States)

    Gao, Ying; Lin, Qingyang; Bijeljic, Branko; Blunt, Martin J.

    2017-12-01

    We imaged the steady state flow of brine and decane in Bentheimer sandstone. We devised an experimental method based on differential imaging to examine how flow rate impacts impact the pore-scale distribution of fluids during coinjection. This allows us to elucidate flow regimes (connected, or breakup of the nonwetting phase pathways) for a range of fractional flows at two capillary numbers, Ca, namely 3.0 × 10-7 and 7.5 × 10-6. At the lower Ca, for a fixed fractional flow, the two phases appear to flow in connected unchanging subnetworks of the pore space, consistent with conventional theory. At the higher Ca, we observed that a significant fraction of the pore space contained sometimes oil and sometimes brine during the 1 h scan: this intermittent occupancy, which was interpreted as regions of the pore space that contained both fluid phases for some time, is necessary to explain the flow and dynamic connectivity of the oil phase; pathways of always oil-filled portions of the void space did not span the core. This phase was segmented from the differential image between the 30 wt % KI brine image and the scans taken at each fractional flow. Using the grey scale histogram distribution of the raw images, the oil proportion in the intermittent phase was calculated. The pressure drops at each fractional flow at low and high flow rates were measured by high-precision differential pressure sensors. The relative permeabilities and fractional flow obtained by our experiment at the mm-scale compare well with data from the literature on cm-scale samples.

  13. Guatemalan potato moth Tecia solanivora distinguish odour profiles from qualitatively different potatoes Solanum tuberosum L.

    Science.gov (United States)

    Karlsson, Miriam Frida; Birgersson, Göran; Witzgall, Peter; Lekfeldt, Jonas Duus Stevens; Nimal Punyasiri, P A; Bengtsson, Marie

    2013-01-01

    Guatemalan potato moth, Tecia solanivora, lay eggs in the soil nearby potato Solanum spp. and larvae feed on the tubers. We investigated the oviposition behaviour of T. solanivora females and the survival of larval offspring on healthy vs. stressed, i.e. light exposed and/or damaged potato tubers. In choice tests, females laid significantly more eggs in response to potato odour of healthy tubers and female oviposition preference correlated with higher larval survival. Survival of larvae was negatively correlated with the tuber content of the steroid glycoalkaloids α-solanine and α-chaconine: healthy potatoes contained lower amounts than stressed tubers, ranging from 25 to 500 μg g⁻¹ and from 30 to 600 μg g⁻¹, respectively. Analysis of volatile compounds emitted by potato tubers revealed that stressed tubers could clearly be distinguished from healthy tubers by the composition of their volatile profiles. Compounds that contributed to this difference were e.g. decanal, nonanal, isopropyl myristate, phenylacetaldehyde, benzothiazole, heptadecane, octadecane, myristicin, E,E-α-farnesene and verbenone. Oviposition assays, when female moths were not in contact with the tubers, clearly demonstrated that volatiles guide the females to lay fewer eggs on stressed tubers that are of inferior quality for the larvae. We propose that volatiles, such as sesquiterpenes and aldehydes, mediate oviposition behaviour and are correlated with biosynthetically related, non-volatile compounds, such as steroidal glycoalkaloids, which influence larval survival. We conclude that the oviposition response and larval survival of T. solanivora on healthy vs. stressed tubers supports the preference performance hypothesis for insect herbivores. Copyright © 2012 Elsevier Ltd. All rights reserved.

  14. 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.

  15. Isoparaffinic diluents for tri-n-butyl phosphate. Chemical, radiation-chemical stability, effect on tetravalent plutonium and thorium extraction

    International Nuclear Information System (INIS)

    Renard, E.V.; Pyatibratov, Yu.P.; Neumoev, N.V.; Chizhov, A.A.; Kulikov, I.A.; Gol'dfarb, Yu.Ya.; Sirotkina, I.G.; Semenova, T.I.

    1989-01-01

    By means of catalytic hydroisomerization of the n-paraffinic raw material in a reactor using alumino-platinum catalysts, there was attained a 45-90% degree of conversion of n-paraffins into branched iso-paraffins with mono- and dimethyl structure. From a batch of extensively isomerized n-paraffins, by carrying out the operations of distillation of the light (benzine) fraction, dearomatization, de-n-paraffinization and fractional distillation on a rectification column, isoparaffinic (99%) concentrates were obtained with a constant molecular weight, from iso-C 10 to isoC 15 . The solubility of plutonium and thorium nitrates in 30% solutions of TBP in iso-paraffins (mixtures of iso-paraffins with the same number of C-atoms) increases with decrease in the molecular weight of the iso-paraffin; a system with a 30% TBP in a mixture of iso-decanes practically does not stratify (∼104 g Pu/liter, 22-25 degree C). Nevertheless, a twofold increase (compared with NP) of the maximally permissible (up to the formation of the third phase) concentration, is attained when iso-paraffins are introduced into NP with a similar molecular composition in a 1:1 ratio. With respect to the main requirements demanded of diluents for radiochemical extractional operations, such as density, viscosity, boiling point, flash point, and freezing point, the chemical stability and radiation resistance, content of radioruthenium and radiozirconium, rate of stratification of two-phase systems, the synthetic iso-paraffin-containing solvents are as suitable as n-paraffins

  16. Effects of natural and synthetic alarm pheromone and individual pheromone components on foraging behavior of the giant Asian honey bee, Apis dorsata.

    Science.gov (United States)

    Li, Jianjun; Wang, Zhengwei; Tan, Ken; Qu, Yufeng; Nieh, James C

    2014-10-01

    Social pollinators such as honey bees face attacks from predators not only at the nest, but also during foraging. Pollinating honey bees can therefore release alarm pheromones that deter conspecifics from visiting dangerous inflorescences. However, the effect of alarm pheromone and its chemical components upon bee avoidance of dangerous food sources remains unclear. We tested the responses of giant honey bee foragers, Apis dorsata, presented with alarm pheromone at a floral array. Foragers investigated the inflorescence with natural alarm pheromone, but 3.3-fold more foragers preferred to land on the 'safe' inflorescence without alarm pheromone. Using gas chromatography-mass spectrometry analysis, we identified eight chemical components in the alarm pheromone, of which three components (1-octanol, decanal and gamma-octanoic lactone) have not previously been reported in this species. We bioassayed six major compounds and found that a synthetic mixture of these compounds elicited behaviors statistically indistinguishable from responses to natural alarm pheromone. By testing each compound separately, we show that gamma-octanoic lactone, isopentyl acetate and (E)-2-decen-1-yl acetate are active compounds that elicit significant alarm responses. Gamma-octanoic lactone elicited the strongest response to a single compound and has not been previously reported in honey bee alarm pheromone. Isopentyl acetate is widely found in the alarm pheromones of sympatric Asian honey bee species, and thus alarmed A. dorsata foragers may produce information useful for conspecifics and heterospecifics, thereby broadening the effects of alarm information on plant pollination. © 2014. Published by The Company of Biologists Ltd.

  17. 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

  18. Potential Temperatures of Sources of MORB, OIB and LIPs Based on AL Partitioning Between Olivine and Spinel

    Science.gov (United States)

    Sobolev, A. V.; Batanova, V. G.; Krasheninnikov, S.; Borisov, A.; Arndt, N.; Kuzmin, D.; Krivolutskaya, N.; Sushevskaya, N.

    2013-12-01

    confirm the relatively low temperature of the convecting mantle source of MORB and higher temperatures in the mantle plumes that produce the OIB of Iceland, Hawaii, Gorgona, Archean komatiites and several LIPs (e.g. Siberian, Decan). [1] McKenzie & Bickle, 1988, J. Petr. 29, p 625-679. [2] Wan et al, 2008, Am. Min. 93, p1142-1147. [3] Batanova & Sobolev, 2013, Min. Mag.,p 667, DOI :10.1180/minmag2013.077.5.2 [4] Ford et al, 1983, J. Petr. 24, p 256-265.

  19. Isolation, production, purification and characterization of an organic-solvent-thermostable alkalophilic cellulase from Bacillus vallismortis RG-07.

    Science.gov (United States)

    Gaur, Rajeeva; Tiwari, Soni

    2015-03-19

    The rising concerns about the scarcity of fossil fuels, the emission of green house gasses and air pollution by incomplete combustion of fossil fuel have also resulted in an increasing focus on the use of cellulases to perform enzymatic hydrolysis of the lignocellulosic materials for the generation of bioethanol. The aim of this study was to isolate a potential thermo-solvent tolerant cellulase producing bacterium from natural resources, and then applied for purification and characterization. The purified enzyme was to be accessible for the bioethanol production as well as industrial exploitation (discuss in our next study). It is the first instance when thermo-solvent tolerant cellulase producing bacterium was isolated from soil sample. The culture was identified as Bacillus vallismortis RG-07 by 16S rDNA sequence analysis. Bacillus vallismortis RG-07 reported maximum cellulase production from sugarcane baggase (4105 U ml(-1)) used as agro-waste carbon source. The cellulase enzyme produced by the Bacillus sp. was purified by (NH4)2SO4 precipitation, ion exchange and gel filtration chromatography, with overall recovery of 28.8%. The molecular weight of purified cellulase was 80 kDa as revealed by SDS-PAGE and activity gel analysis. The optimum temperature and pH for enzyme activity was determined as 65°C and 7.0 and it retained 95 and 75% of activity even at 95°C, and 9.0 respectively. The enzyme activity was enhanced in the presence of organic solvents (30%) n-dodecane, iso-octane, n-decane, xylene, toluene, n-haxane, n-butanol, and cyclohexane, after prolonged incubation (7 days). The enzyme activity was also stimulated by Ca(2+), mercaptoethanol, Tween-60, and Sodium hypochloride whereas strongly inhibited by Hg. Kinetic analysis of purified enzyme showed the Km and Vmax to be 1.923 mg ml(-1) and 769.230 μg ml(-1) min(-1), respectively. The unique property of solvent-thermostable-alkalophilic, nature proves the potential candidature of this isolate for

  20. Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations

    International Nuclear Information System (INIS)

    Dinpajooh, Mohammadhasan; Bai, Peng; Allan, Douglas A.; Siepmann, J. Ilja

    2015-01-01

    ranges of the attractive well and for n-decane molecules represented by the TraPPE force field yield data that support the trends observed for Lennard-Jones particles. The finite-size dependence of the critical properties obtained from GEMC simulations is significantly smaller than those from grand-canonical ensemble simulations. Thus, when resources are not available for a rigorous finite-size scaling study, GEMC simulations provide a straightforward route to determine fairly accurate critical properties using relatively small system sizes

  1. The complex challenge of repairing the gantry steelwork on the first generation magnox storage pond at Sellafield: Legacy Waste Storage, First Generation Magnox Storage Pond - 59133

    International Nuclear Information System (INIS)

    Richardson, Ian E.

    2012-01-01

    This paper puts into context the challenges that were faced when repairing the Gantry Steelwork of the First Generation Magnox Storage Pond (FGMSP). The First Generation Magnox Fuel Storage Pond (FGMSP) provided fuel storage and de-canning capability from the early 1960's until 1986. A significant programme of work has been underway since the completion of operational activities to support the programmes strategic intent of retrieving and storing all legacy wastes, and remediating the structure of the plant to support decommissioning activities. A key enabler to the retrievals programme is the Pond Skip Handler Machine (SHM), removed from service in 2002 following the discovery of significant signs of corrosion and distress, an inevitable consequence of being located in a coastal, salt laden environment. The SHM provides sole capability to access and retrieve the inventory of over 1000 fuel skips. It is also fundamental to future operations and the deployment of de-sludging equipment to recover significant bulk sludge's from the pond floor. Failure of the SHM steelwork gantry at worst case could potentially result in the Skip Handler Machine being derailed. This has some potential to damage to the pond structure and at worst case may result in local radiological and environmental consequences. This paper will examine the challenges faced by the team as they successfully defined, planned and executed remedial work to a specific aspect of the civil structure, the SHM gantry rail system, using a purpose built refurbishment platform; the Gantry Refurbishment System. The paper will examine how an 'innovative' approach was adopted to resolve the related issues of: - Refurbishing an aged structure to meet extended future operational demands. - The application of pragmatic engineering solutions against current codes and standards including seismic performance; - Provision of safe access for the workforce to undertake the refurbishment work against significant radiological

  2. Bioluminescence resonance energy transfer system for measuring dynamic protein-protein interactions in bacteria.

    Science.gov (United States)

    Cui, Boyu; Wang, Yao; Song, Yunhong; Wang, Tietao; Li, Changfu; Wei, Yahong; Luo, Zhao-Qing; Shen, Xihui

    2014-05-20

    Protein-protein interactions are important for virtually every biological process, and a number of elegant approaches have been designed to detect and evaluate such interactions. However, few of these methods allow the detection of dynamic and real-time protein-protein interactions in bacteria. Here we describe a bioluminescence resonance energy transfer (BRET) system based on the bacterial luciferase LuxAB. We found that enhanced yellow fluorescent protein (eYFP) accepts the emission from LuxAB and emits yellow fluorescence. Importantly, BRET occurred when LuxAB and eYFP were fused, respectively, to the interacting protein pair FlgM and FliA. Furthermore, we observed sirolimus (i.e., rapamycin)-inducible interactions between FRB and FKBP12 and a dose-dependent abolishment of such interactions by FK506, the ligand of FKBP12. Using this system, we showed that osmotic stress or low pH efficiently induced multimerization of the regulatory protein OmpR and that the multimerization induced by low pH can be reversed by a neutralizing agent, further indicating the usefulness of this system in the measurement of dynamic interactions. This method can be adapted to analyze dynamic protein-protein interactions and the importance of such interactions in bacterial processes such as development and pathogenicity. Real-time measurement of protein-protein interactions in prokaryotes is highly desirable for determining the roles of protein complex in the development or virulence of bacteria, but methods that allow such measurement are not available. Here we describe the development of a bioluminescence resonance energy transfer (BRET) technology that meets this need. The use of endogenous excitation light in this strategy circumvents the requirement for the sophisticated instrument demanded by standard fluorescence resonance energy transfer (FRET). Furthermore, because the LuxAB substrate decanal is membrane permeable, the assay can be performed without lysing the bacterial cells

  3. Safety and quality parameters of ready-to-cook minced pork meat products supplemented with Helianthus tuberosus L. tubers fermented by BLIS producing lactic acid bacteria.

    Science.gov (United States)

    Stimbirys, Arturas; Bartkiene, Elena; Siugzdaite, Jurate; Augeniene, Dovile; Vidmantiene, Daiva; Juodeikiene, Grazina; Maruska, Audrius; Stankevicius, Mantas; Cizeikiene, Dalia

    2015-07-01

    The aim of this study was to evaluate the influence of additives of Jerusalem artichoke (JA), fermented with P. acidilactici KTU05-7, P. pentosaceus KTU05-9, L. sakei KTU05-6, on the quality and safety parameters of ready - to cook - minced pork (RCMP). Fermented JA additives reduced pH of the meat products and decreased water holding capacity (WHC) from 2.01 till 2.93 %. Concentrations of biogenic amines in RCMP with additives of the lactic acid bacteria (LAB) - fermented JA were significantly lower comparing with control sample. The number of pathogenic bacteria in artificially contaminated meat samples was significantly reduced in case of LAB-fermented JA additives. The highest antimicrobial activity was obtained using P. acidilactici fermented JA additives. The amounts of microbial pathogens E. coli and Ent. faecalis, S. aureus and Streptococcus spp. were determined 3.41, 3.38, 3,96 and 4.74 log CFU/g correspondingly, whereas without LAB-fermented JA additives were 8.94, 7.75, 8.82 and 8.58 log CFU/g, correspondingly. A possibility to improve sensory properties (flavor) of RCMP using LAB fermented JA additives was investigated. The composition of volatile compounds of RCMP without additive and with LAB-fermented JA additives was analyzed using gas chromatography-mass spectrometry (GC-MS). The results of sensory evaluation of meat products supplemented with fermented JA additives revealed specific odor, which is pleasant and acceptable for consumers might be explainable that LAB-fermented JA additives have shown considerable differences mainly due to the accumulation of volatiles such as toluene, ethylbenzene, decane, undecane, 2 methyl undecane. N-morpholinomethyl-isopropyl-sulfide, 6-undecilamine and N,N-dimethyl-1-pentadecanamine were not determined in RCMP with LAB-fermented JA additives. The results obtained show, that P. acidilactici fermented JA 5 % additive is most suitable for the RCMP processing in order to prevent microbiological spoilage, increase

  4. Dipstick based immunochemiluminescence biosensor for the analysis of vitamin B12 in energy drinks: A novel approach

    International Nuclear Information System (INIS)

    Selvakumar, L.S.; Thakur, M.S.

    2012-01-01

    Graphical abstract: (a) Schematic representation of immunochemiluminescence based dipstick technique for detection of vitamin B 12 . (b) Enzymatic dephosphorylation of dioxetane by alkaline phosphatase. Highlights: ► Dipstick based immunochemiluminescence biosensor proposed for vitamin B 12 analysis. ► The limit of detection of vitamin B 12 is 1 ng mL −1 and applied in energy drinks. ► Chemiluminescence generated was inversely proportional to vitamin B 12 concentration. ► Chemiluminescence analytical procedure was compared with ELISA. ► Alkaline phosphatase was stable chemiluminescent enzyme than Horse Radish Peroxidase. - Abstract: In this article, we describe a dipstick based immunochemiluminescence (immuno-CL) biosensor for the detection of vitamin B 12 in energy drinks. The method is a direct competitive type format involving the immobilization of vitamin B 12 antibody on nitrocellulose membrane (NC) followed by treatment with vitamin B 12 and vitamin B 12 –alkaline phosphatase conjugate to facilitate the competitive binding. The dipstick was further treated with substrate disodium 2-chloro-5-(4-methoxyspiro {1,2-dioxetane-3,2¢-(5¢-chloro)tricyclo[3.3.1.13,7]decan}-4-yl)-1-phenyl phosphate (CDP-Star) to generate chemiluminescence (CL). The number of photons generated was inversely proportional to the vitamin B 12 concentration. After systematic optimization, the limit of detection was 1 ng mL −1 . The coefficient of variation was below 0.2% for both intra- and inter-assay precision. Vitamin B 12 was extracted from energy drinks with recovery ranged from 90 to 99.4%. Two different energy drinks samples were analyzed, and a good correlation was observed when the data were compared with a reference enzyme linked immuno sorbent assay (ELISA) method. The developed method is suitable for an accurate, sensitive, and high-throughput screening of vitamin B 12 in energy drinks samples. The dipstick technique based on immuno-CL is suitable for the

  5. Constituintes das sementes de Copaifera officinalis L. Constituents from Copaifera officinalis L. seeds

    Directory of Open Access Journals (Sweden)

    Valdir F. Veiga Junior

    2007-01-01

    Full Text Available O gênero Copaifera L. é um dos mais importantes economicamente na Região Amazônica devido, principalmente, à produção dos óleos de copaíba, oléo-resinas com diversas propriedades farmacológicas confirmadas. Apesar disso, os estudos fitoquímicos com as sementes das árvores do gênero Copaifera L.são raros. Copaifera officinalis foi a primeira espécie do gênero Copaifera a ser descrita. Este trabalho descreve a composição dos extratos obtidos em hexano e em acetato de etila das sementes de C. officinalis. No extrato obtido em hexano, a análise por cromatografia em fase gasosa utilizando padrões e através de espectrometria de massas permitiu a identificação de: esqualeno, tetradecano, hexadecano, campesterol, estigmasterol e beta-sitosterol; os ácidos graxos hexadecanóico, 9-octadecenóico e octadecanóico (majoritários; e decanóico, eicosanóico, docosanóico e tetracosanóico (minoritários. Cumarina foi isolada do extrato em acetato de etila e identificada por técnicas de RMN.Copaifera L. is one of the most economically important plant genera in the Amazon Region, since it exudes a resin-oil named copaiba oil possessing several confirmed pharmacological properties. In spite of that, phytochemical studies of the seeds from this genus are rare. Copaifera officinalis L. was the first species in the genus Copaifera to be described. This paper describes the chemical composition of the hexane and ethyl acetate extracts of the seeds from this species. In the hexane extract, gas chromatography and mass spectrometry analyses enabled us to identify squalene, tetradecane, hexadecane, campesterol, stigmasterol and beta-sitosterol; hexadecanoic, 9-octadecenoic and octadecanoic acids (major substances; as well as decanoic, eicosanoic, docosanoic and tetracosanoic (minor substances acids. Coumarin was detected in the ethyl acetate extract, isolated and identified by NMR.

  6. Effect temperature of supercritical CO2 fluid extraction on phytochemical analysis and antioxidant activity of Zingiber officinale Roscoe

    Science.gov (United States)

    Sondari, Dewi; Irawadi, Tun Tedja; Setyaningsih, Dwi; Tursiloadi, Silvester

    2017-11-01

    at a temperature of 40 °C is Hexanal (6.04%), Butan-2-one, 4-(3-hydroxy-2-methoxyphenyl) (27.95%), [6]-Paradol (0.73%), Gingerol (8.22%), Bis (2-ethylhexyl) phthalate (1.62%), α-Citral (12.14%) and α-zingiberene (2.90%). The main component extracts of Zingiber officinale Roscoe by maceration is Hexanal (10.71%), Decanal (3.74%), Butan-2-one, 4-(3-hydroxy-2-methoxyphenyl) (38.33%), Gingerol (4.56%) and Zingiberene (0.99).

  7. Effective interactions between nanoparticles: Creating temperature-independent solvation environments for self-assembly

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Hari O. S., E-mail: cyz108802@chemistry.iitd.ac.in, E-mail: hariyadav.iitd@gmail.com; Shrivastav, Gourav; Agarwal, Manish; Chakravarty, Charusita [Department of Chemistry, Indian Institute of Technology-Delhi, New Delhi 110016 (India)

    2016-06-28

    The extent to which solvent-mediated effective interactions between nanoparticles can be predicted based on structure and associated thermodynamic estimators for bulk solvents and for solvation of single and pairs of nanoparticles is studied here. As a test of the approach, we analyse the strategy for creating temperature-independent solvent environments using a series of homologous chain fluids as solvents, as suggested by an experimental paper [M. I. Bodnarchuk et al., J. Am. Chem. Soc. 132, 11967 (2010)]. Our conclusions are based on molecular dynamics simulations of Au{sub 140}(SC{sub 10}H{sub 21}){sub 62} nanoparticles in n-alkane solvents, specifically hexane, octane, decane and dodecane, using the TraPPE-UA potential to model the alkanes and alkylthiols. The 140-atom gold core of the nanocrystal is held rigid in a truncated octahedral geometry and the gold-thiolate interaction is modeled using a Morse potential. The experimental observation was that the structural and rheological properties of n-alkane solvents are constant over a temperature range determined by equivalent solvent vapour pressures. We show that this is a consequence of the fact that long chain alkane liquids behave to a good approximation as simple liquids formed by packing of monomeric methyl/methylene units. Over the corresponding temperature range (233–361 K), the solvation environment is approximately constant at the single and pair nanoparticle levels under good solvent conditions. However, quantitative variations of the order of 10%–20% do exist in various quantities, such as molar volume of solute at infinite dilution, entropy of solvation, and onset distance for soft repulsions. In the opposite limit of a poor solvent, represented by vacuum in this study, the effective interactions between nanoparticles are no longer temperature-independent with attractive interactions increasing by up to 50% on decreasing the temperature from 361 K to 290 K, accompanied by an increase in

  8. The impact of multiphase behaviour on coke deposition in heavy oil hydroprocessing catalysts

    Science.gov (United States)

    Zhang, Xiaohui

    Coke deposition in heavy oil catalytic hydroprocessing remains a serious problem. The influence of multiphase behaviour on coke deposition is an important but unresolved question. A model heavy oil system (Athabasca vacuum bottoms (ABVB) + decane) and a commercial heavy oil hydrotreating catalyst (NiMo/gamma-Al 2O3) were employed to study the impact of multiphase behaviour on coke deposition. The model heavy oil mixture exhibits low-density liquid + vapour (L1V), high-density liquid + vapour (L2V), as well as low-density liquid + high-density liquid + vapour (L1L2V) phase behaviour at a typical hydroprocessing temperature (380°C). The L2 phase only arises for the ABVB composition range from 10 to 50 wt %. The phase behaviour undergoes transitions from V to L2V, to L1L2V, to L1V with increasing ABVB compositions at the pressure examined. The addition of hydrogen into the model heavy oil mixtures at a fixed mass ratio (0.0057:1) does not change the phase behaviour significantly, but shifts the phase regions and boundaries vertically from low pressure to high pressure. In the absence of hydrogen, the carbon content, surface area and pore volume losses for catalyst exposed to the L1 phase are greater than for the corresponding L2 phase despite a higher coke precursor concentration in L2 than in L1. By contrast, in the presence of hydrogen, the carbon content, surface area and pore volume losses for the catalyst exposed to the L2 phase are greater than for the corresponding L1 phase. The higher hydrogen concentration in L1 appears to reverse the observed results. In the presence of hydrogen, L2 was most closely associated with coke deposition, L1 less associated with coke deposition, and V least associated with coke deposition. Coke deposition is maximized in the phase regions where the L2 phase arises. This key result is inconsistent with expectation and coke deposition models where the extent of coke deposition, at otherwise fixed reaction conditions, is asserted to

  9. The manufacture and use of sludge test materials for R and D purposes in the treatment and processing of magnox based sludge

    International Nuclear Information System (INIS)

    Blackburn, D.R.; Thompson, E.J.

    2013-01-01

    Among the Intermediate Level Waste materials in store and awaiting treatment and processing in the UK are quantities of magnesium hydroxide sludge. This sludge is a product of radioactive Magnox Swarf which arose from the de-canning of used magnox fuel element rods. As the Swarf was stored underwater, a corrosion reaction occurred over the course of time between the magnox and the water resulting in a magnesium hydroxide based sludge. The differing conditions and materials present in the various storage areas means that the sludge can range in consistency from that of a slurry through to a thick clay. Sludge test materials are required to underpin and validate the research and development equipment and processes that are to be used to treat the waste material. Necessary restrictions imposed on the sampling and testing of the radioactive waste means that the available data on the properties and behaviour of the sludge is limited. The raw materials used to create the sludge test materials are based upon magnesium hydroxide so that as far as possible the chemical behaviour will be similar to that of the waste material. The most representative sludge test material is manufactured by the corrosion of non-radioactive magnox or magnesium. However, time constraints make it impractical to supply this material in sufficient quantities for full scale validation trials. An alternative is to use sludge manufactured from commercially available magnesium hydroxide. The particle shape of commercially available materials differs from corrosion product magnesium hydroxide which means that properties such as the rheological behaviour cannot be replicated. Nevertheless, valuable trial data can be obtained, giving a greater degree of confidence in the waste treatment process than would be possible if only the more representative but less available corrosion product materials were to be used. Key test material parameters used in the trials have been identified as the particle size

  10. The manufacture and use of sludge test materials for R and D purposes in the treatment and processing of magnox based sludge

    Energy Technology Data Exchange (ETDEWEB)

    Blackburn, D.R.; Thompson, E.J. [NSG Environmental Ltd, Chorley, Lancashire (United Kingdom)

    2013-07-01

    Among the Intermediate Level Waste materials in store and awaiting treatment and processing in the UK are quantities of magnesium hydroxide sludge. This sludge is a product of radioactive Magnox Swarf which arose from the de-canning of used magnox fuel element rods. As the Swarf was stored underwater, a corrosion reaction occurred over the course of time between the magnox and the water resulting in a magnesium hydroxide based sludge. The differing conditions and materials present in the various storage areas means that the sludge can range in consistency from that of a slurry through to a thick clay. Sludge test materials are required to underpin and validate the research and development equipment and processes that are to be used to treat the waste material. Necessary restrictions imposed on the sampling and testing of the radioactive waste means that the available data on the properties and behaviour of the sludge is limited. The raw materials used to create the sludge test materials are based upon magnesium hydroxide so that as far as possible the chemical behaviour will be similar to that of the waste material. The most representative sludge test material is manufactured by the corrosion of non-radioactive magnox or magnesium. However, time constraints make it impractical to supply this material in sufficient quantities for full scale validation trials. An alternative is to use sludge manufactured from commercially available magnesium hydroxide. The particle shape of commercially available materials differs from corrosion product magnesium hydroxide which means that properties such as the rheological behaviour cannot be replicated. Nevertheless, valuable trial data can be obtained, giving a greater degree of confidence in the waste treatment process than would be possible if only the more representative but less available corrosion product materials were to be used. Key test material parameters used in the trials have been identified as the particle size

  11. Mitochondria-targeted plastoquinone derivatives as tools to interrupt execution of the aging program. 1. Cationic plastoquinone derivatives: synthesis and in vitro studies.

    Science.gov (United States)

    Antonenko, Y N; Avetisyan, A V; Bakeeva, L E; Chernyak, B V; Chertkov, V A; Domnina, L V; Ivanova, O Yu; Izyumov, D S; Khailova, L S; Klishin, S S; Korshunova, G A; Lyamzaev, K G; Muntyan, M S; Nepryakhina, O K; Pashkovskaya, A A; Pletjushkina, O Yu; Pustovidko, A V; Roginsky, V A; Rokitskaya, T I; Ruuge, E K; Saprunova, V B; Severina, I I; Simonyan, R A; Skulachev, I V; Skulachev, M V; Sumbatyan, N V; Sviryaeva, I V; Tashlitsky, V N; Vassiliev, J M; Vyssokikh, M Yu; Yaguzhinsky, L S; Zamyatnin, A A; Skulachev, V P

    2008-12-01

    Synthesis of cationic plastoquinone derivatives (SkQs) containing positively charged phosphonium or rhodamine moieties connected to plastoquinone by decane or pentane linkers is described. It is shown that SkQs (i) easily penetrate through planar, mitochondrial, and outer cell membranes, (ii) at low (nanomolar) concentrations, posses strong antioxidant activity in aqueous solution, BLM, lipid micelles, liposomes, isolated mitochondria, and cells, (iii) at higher (micromolar) concentrations, show pronounced prooxidant activity, the "window" between anti- and prooxidant concentrations being very much larger than for MitoQ, a cationic ubiquinone derivative showing very much lower antioxidant activity and higher prooxidant activity, (iv) are reduced by the respiratory chain to SkQH2, the rate of oxidation of SkQH2 being lower than the rate of SkQ reduction, and (v) prevent oxidation of mitochondrial cardiolipin by OH*. In HeLa cells and human fibroblasts, SkQs operate as powerful inhibitors of the ROS-induced apoptosis and necrosis. For the two most active SkQs, namely SkQ1 and SkQR1, C(1/2) values for inhibition of the H2O2-induced apoptosis in fibroblasts appear to be as low as 1x10(-11) and 8x10(-13) M, respectively. SkQR1, a fluorescent representative of the SkQ family, specifically stains a single type of organelles in the living cell, i.e. energized mitochondria. Such specificity is explained by the fact that it is the mitochondrial matrix that is the only negatively-charged compartment inside the cell. Assuming that the Deltapsi values on the outer cell and inner mitochondrial membranes are about 60 and 180 mV, respectively, and taking into account distribution coefficient of SkQ1 between lipid and water (about 13,000 : 1), the SkQ1 concentration in the inner leaflet of the inner mitochondrial membrane should be 1.3x10(8) times higher than in the extracellular space. This explains the very high efficiency of such compounds in experiments on cell cultures. It is

  12. Effect of compositional heterogeneity on dissolution of non-ideal LNAPL mixtures

    Science.gov (United States)

    Vasudevan, M.; Johnston, C. D.; Bastow, T. P.; Lekmine, G.; Rayner, J. L.; Nambi, I. M.; Suresh Kumar, G.; Ravi Krishna, R.; Davis, G. B.

    2016-11-01

    The extent of dissolution of petroleum hydrocarbon fuels into groundwater depends greatly on fuel composition. Petroleum fuels can consist of thousands of compounds creating different interactions within the non-aqueous phase liquid (NAPL), thereby affecting the relative dissolution of the components and hence a groundwater plume's composition over long periods. Laboratory experiments were conducted to study the variability in the effective solubilities and activity coefficients for common constituents of gasoline fuels (benzene, toluene, p-xylene and 1,2,4-trimethylbenzene) (BTX) in matrices with an extreme range of molar volumes and chemical affinities. Four synthetic mixtures were investigated comprising BTX with the bulk of the NAPL mixtures made up of either, ethylbenzene (an aromatic like BTX with similar molar volume); 1,3,5-trimethylbenzene (an aromatic with a greater molar volume); n-hexane (an aliphatic with a low molar volume); and n-decane (an aliphatic with a high molar volume). Equilibrium solubility values for the constituents were under-predicted by Raoult's law by up to 30% (higher experimental concentrations) for the mixture with n-hexane as a filler and over-predicted by up to 12% (lower experimental concentrations) for the aromatic mixtures with ethylbenzene and 1,3,5-trimethylbenzene as fillers. Application of PP-LFER (poly-parameter linear free energy relationship) model for non-ideal mixtures also resulted in poor correlation between experimentally measured and predicted concentrations, indicating that differences in chemical affinities can be the major cause of deviation from ideal behavior. Synthetic mixtures were compared with the dissolution behavior of fresh and naturally weathered unleaded gasoline. The presence of lighter aliphatic components in the gasoline had a profound effect on estimating effective solubility due to chemical affinity differences (estimated at 0.0055 per percentage increase in the molar proportion of aliphatic) as

  13. Bioclogging Effects Relevant to In-Situ Bioremediation of Organic Contaminants

    Science.gov (United States)

    Bielefeldt, A. R.; Illangasekare, T.

    2002-05-01

    This presentation will summarize 5 years of laboratory experiments investigating the effects of biodegradation of organic contaminants on the hydrodynamic properties of saturated sand due to biomass accumulation. The contaminants studied included naphthalene, decane, diesel fuel, propylene glycol, and aircraft de-icing fluid (ADF). Most of the experiments were conducted in columns (~6 cm dia x 15 cm L). A wide range of environmental conditions were simulated including low to high organic loading (1.2 to 38,000 mg C/kg dry sand/d), various nutrient concentrations (C:N 3:1 to 5424:1), seepage velocity (0.5-11 m/d), and sand size (average diameter 0.19, 0.32, 0.49 mm). Changes in the hydraulic conductivity and dispersivity of the media over time and the biomass distribution in the sand at the end of the experiments were measured. In general, the hydraulic conductivity in the columns declined over time until a steady-state minimum was reached when the new biogrowth was balanced by endogenous decay and shear stress losses from the system. The minimum conductivity was generally 2 to 4 orders of magnitude below that of the clean sand. Dispersivity was evaluated using bromide tracer tests and monitoring the break-through curves. Dispersivity after biomass growth was always higher than that of the clean sand (up to 10x), but trends over time did not always consistently increase. Under selected conditions the dispersivity initially increased and then decreased, although never achieving a level below that of the clean sand. Final biomass concentrations in the sand at steady state ranged from 0.1 to 10 mg dry weight/g dry sand. In some experiments the biomass was evenly distributed through the sand while in others significantly more biomass was present at the column inlet. Some experiments were also conducted in larger 2-D tanks (122 cm L x 46 cm H x 6 cm W) which allowed the groundwater flow to route around local areas of bioclogging as would be likely to occur in subsurface

  14. An installation for the preparation of radioelements using the Szilard-Chalmers effect (1961); Une installation de preparation de radioelements par effet Szilard-Chalmers (1961)

    Energy Technology Data Exchange (ETDEWEB)

    Douis, M; Valade, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1961-07-01

    The obtention of high specific activities is sometimes necessary for certain applications of radioelements which cannot otherwise be used readily. This is the case for example, in medical applications where a radioisotope like As{sup 76} must not poison a patient before curing him. Similarly Cr{sup 51} should have a high specific activity for marking red blood corpuscles, since only a limited amount of chromium can be introduced into the blood stream. It seemed to be of interest to build, in the high activity laboratories at Saclay, a single block grouping all the 'Szilard' preparations and to add to it annexe departments for storage, de-canning of the irradiated products, and distribution of the final solutions. The radioelements prepared in this installation are Cr{sup 51}, As{sup 76}, Zn{sup 65}, Cu{sup 64} and Fe{sup 55} + Fe{sup 59}. In the first part we describe the installation and we then give the chemical methods used. (authors) [French] L'obtention de hautes activites specifiques est parfois necessaire pour certaines applications de radioelements qui ne peuvent, sans cela, etre couramment utilises. C'est le cas pour les applications medicales par exemple ou un radioisotope comme le {sup 76}As ne devra pas empoisonner le malade avant de le soigner. De meme, le {sup 51}Cr devra avoir une haute activite specifique pour le marquage des hematies, l'introduction de chrome dans la circulation sanguine etant limitee. Il a paru interessant de construire au laboratoire de haute activite a Saclay, un ensemble regroupant toutes les preparations 'Szilard' et d'y ajouter des zones de services generaux tels que: stockage, dessertissage de produits irradies, puis distribution de solutions finies. Les radioelements prepares dans cette installation sont le Cr{sup 51}, As{sup 76}, Zn{sup 65}, Cu{sup 64} et le Fe{sup 55} + Fe{sup 59}. Dans une premiere partie, nous decrivons l'installation et ensuite indiquons les methodes chimiques utilisees. (auteurs)

  15. A case study on identification of airborne organic compounds and time courses of their concentrations in the cabin of a new car for private use.

    Science.gov (United States)

    Yoshida, Toshiaki; Matsunaga, Ichiro

    2006-01-01

    The cabin of an automobile can be considered to be a part of the living environment because many people spend long periods of time during business, shopping, recreation or travel activities. However, little is known about the interior air contamination due to organic compounds diffusing from the interior materials used in the interior of automobiles. In the present study, the compounds in the interior air of a new car were identified, and the time courses of their concentrations were examined for over 3 years after the delivery (July, 1999). A total of 162 organic compounds, involving many aliphatic hydrocarbons and aromatic hydrocarbons, were identified. High concentrations of n-nonane (458 microg/m(3) on the day following delivery), n-decane (1301 microg/m(3)), n-undecane (1616 microg/m(3)), n-dodecane (716 microg/m(3)), n-tridecane (320 microg/m(3)), 1-hexadecene (768 microg/m(3)), ethylbenzene (361 microg/m(3)), xylene (4003 microg/m(3)) and 2,2'-azobis(isobutyronitrile) (429 microg/m(3)) were detected, and the sum of the concentrations determined for all compounds excluding formaldehyde (TVOC) was approximately 14 mg/m(3) on the day after the delivery. The concentrations of most compounds decreased with time, but increased with a rise of the interior temperature. The TVOC concentration in the next summer (July, 2000) was approximately one-tenth of the initial concentration. During the 3-year study period, the TVOC concentrations in summer exceeded the indoor guideline value (300 mug/m(3)) proposed by [Seifert B. Volatile organic compounds. In: Maroni M, Seifert B, Lindvall T, editors. Indoor air quality. A comprehensive reference book. Air quality monographs, vol. 3. Netherlands: Elsevier Science; 1995. p. 819-21]. The interior temperature and days lapsed after delivery were the main factors affecting the interior concentrations of most compounds according to multiple linear regression analysis. The results of this study offer useful fundamental data for

  16. Root treatment with rhizobacteria antagonistic to Phytophthora blight affects anthracnose occurrence, ripening, and yield of pepper fruit in the plastic house and field.

    Science.gov (United States)

    Sang, Mee Kyung; Kim, Jeong Do; Kim, Beom Seok; Kim, Ki Deok

    2011-06-01

    We previously selected rhizobacterial strains CCR04, CCR80, GSE09, ISE13, and ISE14, which were antagonistic to Phytophthora blight of pepper. In this study, we investigated the effects of root treatment of rhizobacteria on anthracnose occurrence, ripening, and yield of pepper fruit in the plastic house and field in 2008 and 2009. We also examined the effects of volatiles produced by the strains on fruit ripening and on mycelial growth and spore development of Colletotrichum acutatum and Phytophthora capsici in the laboratory, identifying the volatile compounds by gas chromatography-mass spectrometry (GC-MS). In the house tests, all strains significantly (P anthracnose incidence on pepper fruit; strains GSE09 and ISE14 consistently produced higher numbers of pepper fruit or increased the fresh weight of red fruit more than the controls in both years. In the field tests, all strains significantly (P anthracnose occurrence on either green or red pepper fruit; strain ISE14 consistently produced higher numbers or increased fresh weights of red fruit more than the controls in both years. In the laboratory tests, volatiles produced by strains GSE09 and ISE13 only stimulated maturation of pepper fruit from green (unripe) to red (ripe) fruit; the volatiles of certain strains inhibited the growth and development of C. acutatum and P. capsici. On the other hand, GC-MS analysis of volatiles of strains GSE09 and ISE13 revealed 17 distinct compounds in both strains, including decane, dodecane, 1,3-di-tert-butylbenzene, tetradecane, 2,4-di-tert-butylphenol, and hexadecane. Among these compounds, 2,4-di-tert-butylphenol only stimulated fruit ripening and inhibited growth and development of the pathogens. Taken together, strains GSE09 and ISE14 effectively reduced anthracnose occurrence and stimulated pepper fruit ripening and yield, possibly via bacterial volatiles. Therefore, these two strains could be potential agents for controlling Phytophthora blight and anthracnose, and for

  17. Viscosity of n-hexadecane, n-octadecane and n-eicosane at pressures up to 243 MPa and temperatures up to 534 K

    International Nuclear Information System (INIS)

    Baled, Hseen O.; Xing, Dazun; Katz, Harrison; Tapriyal, Deepak; Gamwo, Isaac K.; Soong, Yee; Bamgbade, Babatunde A.; Wu, Yue; Liu, Kun; McHugh, Mark A.; Enick, Robert M.

    2014-01-01

    Highlights: • A novel windowed Inconel rolling-ball viscometer is designed and used by our team. • Viscosity data are reported for n-hexadecane, n-octadecane, and n-eicosane at high temperatures and pressures. • The viscosity results are compared with the available literature data. • The viscosity results are modeled with the free volume theory model. - Abstract: Viscosity data are reported for n-hexadecane (C16), n-octadecane (C18), and n-eicosane (C20) at pressures between (3 and 243) MPa and temperatures between (304 and 534) K. These extreme conditions are representative of those encountered in ultra-deep petroleum formations beneath the deepwaters of the Gulf of Mexico. The measurements are taken with a novel windowed Inconel rolling-ball viscometer designed by our team that is calibrated with n-decane. A comparison of the reported viscosity values with the available literature data that cover limited pressure and temperature ranges, shows that the mean absolute percentage deviation, δ, ranges between 1.1% and 4.8%. The reported data extend the database of viscosity to the high-temperature, high-pressure region where most gaps occur in the literature data for n-hexadecane and n-octadecane. To the best of our knowledge, the results for n-eicosane are the first reported viscosity values at pressures above 2 MPa over the entire temperature range. The viscosity results are modeled with the free volume theory model in conjunction with density values obtained using the Peng–Robinson equation of state (EoS) and the PC-SAFT EoS. The δ values obtained with this model range from 2.0% to 3.5%. The data are also correlated by a non-linear surface fit as a simultaneous function of temperature and pressure that yields δ values of 0.40%, 0.43%, and 0.38% for C16, C18, and C20, respectively

  18. Excimer Formation Dynamics of Dipyrenyldecane in Structurally Different Ionic Liquids.

    Science.gov (United States)

    Yadav, Anita; Pandey, Siddharth

    2017-12-07

    Ionic liquids, being composed of ions alone, may offer alternative pathways for molecular aggregation. These pathways could be controlled by the chemical structure of the cation and the anion of the ionic liquids. Intramolecular excimer formation dynamics of a bifluorophoric probe, 1,3-bis(1-pyrenyl)decane [1Py(10)1Py], where the fluorophoric pyrene moieties are separated by a long decyl chain, is investigated in seven different ionic liquids in 10-90 °C temperature range. The long alkyl separator allows for ample interaction with the solubilizing milieu prior to the formation of the excimer. The ionic liquids are composed of two sets, one having four ionic liquids of 1-butyl-3-methylimidazolium cation ([bmim + ]) with different anions and the other having four ionic liquids of bis(trifluoromethylsulfonyl)imide anion ([Tf 2 N - ]) with different cations. The excimer-to-monomer emission intensity ratio (I E /I M ) is found to increase with increasing temperature in sigmoidal fashion. Chemical structure of the ionic liquid controls the excimer formation efficiency, as I E /I M values within ionic liquids with the same viscosities are found to be significantly different. The excited-state intensity decay kinetics of 1Py(10)1Py in ionic liquids do not adhere to a simplistic Birk's scheme, where only one excimer conformer forms after excitation. The apparent rate constants of excimer formation (k a ) in highly viscous ionic liquids are an order of magnitude lower than those reported in organic solvents. In general, the higher the viscosity of the ionic liquid, the more sensitive is the k a to the temperature with higher activation energy, E a . The trend in E a is found to be similar to that for activation energy of the viscous flow (E a,η ). Stokes-Einstein relationship is not followed in [bmim + ] ionic liquids; however, with the exception of [choline][Tf 2 N], it is found to be followed in [Tf 2 N - ] ionic liquids suggesting the cyclization dynamics of 1Py(10)1Py

  19. Controlled release of ibuprofen by meso–macroporous silica

    Energy Technology Data Exchange (ETDEWEB)

    Santamaría, E., E-mail: esthersantamaria@ub.edu; Maestro, A.; Porras, M.; Gutiérrez, J.M.; González, C.

    2014-02-15

    Structured meso–macroporous silica was successfully synthesized from an O/W emulsion using decane as a dispersed phase. Sodium silicate solution, which acts as a silica source and a poly(ethylene oxide)–poly(propylene oxide)–poly(ethylene oxide) (EO{sub 19}PO{sub 39}EO{sub 19}) denoted as P84 was used in order to stabilize the emulsion and as a mesopore template. The materials obtained were characterized through transmission electron microscopy (TEM), scanning electron microscopy (SEM), small-angle X-ray diffraction scattering (SAXS) and nitrogen adsorption–desorption isotherms. Ibuprofen (IBU) was selected as the model drug and loaded into ordered meso–macroporous materials. The effect of the materials’ properties on IBU drug loading and release was studied. The results showed that the loading of IBU increases as the macropore presence in the material is increased. The IBU adsorption process followed the Langmuir adsorption isotherm. A two-step release process, consisting of an initial fast release and then a slower release was observed. Macropores enhanced the adsorption capacity of the material; this was probably due to the fact that they allowed the drug to access internal pores. When only mesopores were present, ibuprofen was probably adsorbed on the mesopores close to the surface. Moreover, the more macropore present in the material, the slower the release behaviour observed, as the ibuprofen adsorbed in the internal pores had to diffuse along the macropore channels up to the surface of the material. The material obtained from a highly concentrated emulsion was functionalized with amino groups using two methods, the post-grafting mechanism and the co-condensation mechanism. Both routes improve IBU adsorption in the material and show good behaviour as a controlled drug delivery system. - Graphical abstract: Ibuprofen release profiles for the materials obtained from samples P84{sub m}eso (black diamonds), P84{sub 2}0% (white squares), P84{sub 5

  20. Substituting environmentally relevant flame retardants: assessment fundamentals. Vol. 1: results and summary overview; Erarbeitung von Bewertungsgrundlagen zur Substitution umweltrelevanter Flammschutzmittel. Bd. 1: Ergebnisse und zusammenfassende Uebersicht

    Energy Technology Data Exchange (ETDEWEB)

    Leisewitz, A.; Kruse, H.; Schramm, E.

    2001-04-01

    The study examines the status, trends and alternatives (substitution and reduction potentials) in the use of flame retardants in selected product sectors: construction; electronics and electrical engineering; rail vehicles; textiles/upholstery. In addition, the study characterises thirteen flame retardants in terms of material flows, applications and toxicology/ecotoxicology. Vol. I: Summary overview of flame retardant applications in Germany in 1999/2000; characterisation of 13 flame retardants in terms of substance properties and application-specific characteristics, range of applications and quantities; derivation of assessment fundamentals for flame retardants, focussing on toxicology/ecotoxicology, suitability for closed-loop substance management, and potential for substitution and reduction; summary assessment of 13 flame retardants; summary overview of flame retardant applications. Vol. II: Analysis of flame retardant applications (state of the art, trends, alternatives) in: unsaturated polyester (UP) resins (rail vehicles); polyurethane (PU) insulating foams and one component foams (OCF) (construction sector); plastics for generic uses in electronic and electrical equipment, in casings for electronic and electrical equipment and in printed circuit boards (electronics/electrical engineering); and in upholstery and mattresses (textile applications). Vol. III: Toxicological/ecotoxicological profiles of substances: Decabromodiphenyl oxide; Tetrabromobisphenol A; Bis[pentabromophenyl]ethane; Hexabromocyclodo-decane, Tris[chloropropyl]phosphate, Resorcinol-bis-diphenylphosphate; N-Hydroxymethyl-3-dimethylphosphonopropionamide, Red phosphorus, Ammonium polyphosphate, Melamin cyanurate, Aluminiumtrihydroxide, Sodium borate decahydrate, Antimony trioxide. (orig.) [German] Untersucht werden Stand, Trends und Alternativen (Substitutions- und Minderungspotentiale) beim Einsatz von Flammschutzmitteln (FSM) in ausgewaehlten Produkten aus: Baubereich, Elektrotechnik

  1. Intrinsic Anaerobic Bioremediation of Hydrocarbons in Contaminated Subsurface Plumes and Marine Sediments

    Science.gov (United States)

    Nanny, M. A.; Nanny, M. A.; Suflita, J. M.; Suflita, J. M.; Davidova, I.; Kropp, K.; Caldwell, M.; Philp, R.; Gieg, L.; Rios-Hernandez, L. A.

    2001-05-01

    In recent years, several classes of petroleum hydrocarbons contaminating subsurface and marine environments have been found susceptible to anaerobic biodegradation using novel mechanisms entirely distinct from aerobic metabolic pathways. For example, the anaerobic decay of toluene can be initiated by the addition of the aryl methyl group to the double bond of fumarate, resulting in a benzylsuccinic acid metabolite. Our work has shown that an analogous mechanism also occurs with ethylbenzene and the xylene isomers, yielding 3-phenyl-1,2-butane dicarboxylic acid and methylbenzylsuccinic acid, respectively. Moreover, these metabolites have been detected in contaminated environments. Most recently, we have identified metabolites resulting from the initial attack of H26- or D26-n-dodecane during degradation by a sulfate-reducing bacterial culture. Using GC-MS, these metabolites were identified as fatty acids that result from C-H or C-D addition across the double bond of fumarate to give dodecylsuccinic acids in which all 26 protons or deuteriums of the parent alkane were retained. Further, when this enrichment culture was challenged with hexane or decane, hexylsuccinic acid or decylsuccinic acid were identified as resulting metabolites. Similarly, the study of an ethylcyclopentane-degrading sulfate-reducing enrichment produced a metabolite, which is consistent with the addition of fumarate to the parent substrate. These novel anaerobic addition products are characterized by similar, distinctive mass spectral (MS) features (ions specific to the succinic acid portion of the molecule) that can potentially be used to probe contaminated environments for evidence of intrinsic remediation of hydrocarbons. Indeed, analyses of water extracts from two gas condensate-contaminated sites resulted in the tentative detection of alkyl- and cycloalkylsuccinic acids ranging from C3 to C9, including ethylcyclopentyl-succinic acid. In water extracts collected from an area underlying a

  2. Octadecyl functionalized core-shell magnetic silica nanoparticle as a powerful nanocomposite sorbent to extract urinary volatile organic metabolites.

    Science.gov (United States)

    Qiao, Zheng; Perestrelo, Rosa; Reyes-Gallardo, Emilia M; Lucena, R; Cárdenas, S; Rodrigues, João; Câmara, José S

    2015-05-08

    In this present study, magnetic Fe3O4@SiO2 nanoparticles (MNPs) functionalized with octadecyl groups (Fe3O4@SiO2-C18 NPs) were synthesized, characterized and employed, for the first time, as powerful nanosorbent to extract endogenous volatile organic metabolites (EVOMs) namely, hexanal, heptanal, decanal, benzaldehyde, 4-heptanone, 5-methyl-2-furfural and phenol, described as potential biomarkers of cancer, from human urine. By using co-precipitation, surface modification methods, the carbon-ferromagnetic nanocomposite was synthesized and characterized by infrared spectrum (IR) and transmission electron microscopy (TEM). By coupling with gas chromatography-mass spectrometry (GC-qMS), a reliable, sensitive and cost-effective method was validated. To test the extraction efficiency of the carbon-ferromagnetic nanocomposite toward urinary EVOMs experimental variables affecting the extraction performance, including nanosorbent amount, adsorption time, elution time, and nature of elution solvent, were investigated in detail. The extraction process was performed by dispersing Fe3O4@SiO2-C18 NPs into working solution containing targeted VOMs, and into urine samples, and then eluted with an adequate organic solvent. The eluate was collected, concentrated and analyzed by GC-qMS. Under the optimized conditions, the LODs and LOQs achieved were in the range of 9.7-57.3 and 32.4-190.9ng/mL, respectively. Calibration curves were linear (r(2)≥0. 988) over the concentration ranges from 0.25 to 250ng/mL. In addition, a satisfying reproducibility was achieved by evaluating the intra- and inter-day precisions with relative standard deviations (RSDs) less than 3 and 11%, respectively. The method also afforded satisfactory results in terms of the matrix effect (72.8-96.1%) and recoveries (accuracy) higher than 75.1% for most of the studied EVOMs. The Fe3O4@SiO2-C18 NPs-based sorbent extraction combined with GC-qMS revealed that the new nanosorbent had a strong ability to retain the

  3. Actions of 5-hydroxytryptamine and 5-HT1A receptor ligands on rat dorso-lateral septal neurones in vitro.

    Science.gov (United States)

    Van den Hooff, P; Galvan, M

    1992-08-01

    1. The actions of 5-hydroxytryptamine (5-HT) and some 5-HT1A receptor ligands on neurones in the rat dorso-lateral septal nucleus were recorded in vitro by intracellular recording techniques. 2. In the presence of tetrodotoxin (1 microM) to block any indirect effects, bath application of 5-HT (0.3-30 microM) hyperpolarized the neurones in a concentration-dependent manner and reduced membrane resistance. The hyperpolarization did not exhibit desensitization and was sometimes followed by a small depolarization. 3. The 5-HT1A receptor ligands, 8-hydroxy-2-(di-n-propylamino) tetralin (8-OH-DPAT), N,N-dipropyl-5-carboxamidotryptamine (DP-5-CT) and buspirone but not the non-selective 5-HT1 receptor agonist, 1-m-trifluoromethylphenylpiperazine (TFMPP), also hyperpolarized the neurones. 4. 5-HT, 8-OH-DPAT and DP-5-CT appeared to act as full agonists whereas buspirone behaved as a partial agonist. The estimated EC50S were: DP-5-CT 15 nM, 8-OH-DPAT 110 nM, 5-HT 3 microM and buspirone 110 nM. 5. At a concentration of 3 microM, the putative 5-HT1A receptor antagonists, spiperone, methiothepin, NAN-190 (1-(2-methoxyphenyl)-4-[4-(2-pthalimido)butyl]piperazine) and MDL 73005EF (8-[2-(2,3-dihydro-1,4-benzodioxin-2-yl-methylamino)ethyl]-8- azaspiro[4,5]decane-7,9-dione methyl sulphonate), produced a parallel rightward shift in the concentration-response curve to 5-HT with no significant reduction in the maximum response. The estimated pA2 values were: NAN-190 6.79, MDL 73005EF 6.59, spiperone 6.54 and methiothepin 6.17.6. The 5-HT2/5-HTlc receptor antagonist, ketanserin (3 microM) and the 5HT3 receptor antagonist, tropisetron (3 microM) did not antagonize the 5-HT-induced hyperpolarizations; however, ketanserin blocked the depolarization which sometimes followed the hyperpolarization.7. It is concluded that the 5-HT-induced membrane hyperpolarization of rat dorso-lateral septal neurones is mediated by 5-HTA receptors.

  4. Recent Progress in the Development of Diesel Surrogate Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, W J; Mueller, C J

    2009-12-09

    There has been much recent progress in the area of surrogate fuels for diesel. In the last few years, experiments and modeling have been performed on higher molecular weight components of relevance to diesel fuel such as n-hexadecane (n-cetane) and 2,2,4,4,6,8,8-heptamethylnonane (iso-cetane). Chemical kinetic models have been developed for all the n-alkanes up to 16 carbon atoms. Also, there has been much experimental and modeling work on lower molecular weight surrogate components such as n-decane and n-dodecane that are most relevant to jet fuel surrogates, but are also relevant to diesel surrogates where simulation of the full boiling point range is desired. For two-ring compounds, experimental work on decalin and tetralin recently has been published. For multi-component surrogate fuel mixtures, recent work on modeling of these mixtures and comparisons to real diesel fuel is reviewed. Detailed chemical kinetic models for surrogate fuels are very large in size. Significant progress also has been made in improving the mechanism reduction tools that are needed to make these large models practicable in multi-dimensional reacting flow simulations of diesel combustion. Nevertheless, major research gaps remain. In the case of iso-alkanes, there are experiments and modeling work on only one of relevance to diesel: iso-cetane. Also, the iso-alkanes in diesel are lightly branched and no detailed chemical kinetic models or experimental investigations are available for such compounds. More components are needed to fill out the iso-alkane boiling point range. For the aromatic class of compounds, there has been no new work for compounds in the boiling point range of diesel. Most of the new work has been on alkyl aromatics that are of the range C7 to C8, below the C10 to C20 range that is needed. For the chemical class of cycloalkanes, experiments and modeling on higher molecular weight components are warranted. Finally for multi-component surrogates needed to treat real

  5. Polyamide desalination membrane characterization and surface modification to enhance fouling resistance.

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Mukul M. (Univeristy of Texas at Austin, Austin, TX); Freeman, Benny D. (Univeristy of Texas at Austin, Austin, TX); Van Wagner, Elizabeth M. (Univeristy of Texas at Austin, Austin, TX); Hickner, Michael A. (Pennsylvania State University, University Park, PA); Altman, Susan Jeanne

    2010-08-01

    The market for polyamide desalination membranes is expected to continue to grow during the coming decades. Purification of alternative water sources will also be necessary to meet growing water demands. Purification of produced water, a byproduct of oil and gas production, is of interest due to its dual potential to provide water for beneficial use as well as to reduce wastewater disposal costs. However, current polyamide membranes are prone to fouling, which decreases water flux and shortens membrane lifetime. This research explored surface modification using poly(ethylene glycol) diglycidyl ether (PEGDE) to improve the fouling resistance of commercial polyamide membranes. Characterization of commercial polyamide membrane performance was a necessary first step before undertaking surface modification studies. Membrane performance was found to be sensitive to crossflow testing conditions. Concentration polarization and feed pH strongly influenced NaCl rejection, and the use of continuous feed filtration led to higher water flux and lower NaCl rejection than was observed for similar tests performed using unfiltered feed. Two commercial polyamide membranes, including one reverse osmosis and one nanofiltration membrane, were modified by grafting PEGDE to their surfaces. Two different PEG molecular weights (200 and 1000) and treatment concentrations (1% (w/w) and 15% (w/w)) were studied. Water flux decreased and NaCl rejection increased with PEGDE graft density ({micro}g/cm{sup 2}), although the largest changes were observed for low PEGDE graft densities. Surface properties including hydrophilicity, roughness and charge were minimally affected by surface modification. The fouling resistance of modified and unmodified membranes was compared in crossflow filtration studies using model foulant solutions consisting of either a charged surfactant or an oil in water emulsion containing n-decane and a charged surfactant. Several PEGDE-modified membranes demonstrated improved

  6. Multi-phase imaging of intermittency at steady state using differential imaging method by X-ray micro-tomography

    Science.gov (United States)

    Gao, Y.; Lin, Q.; Bijeljic, B.; Blunt, M. J.

    2017-12-01

    To observe intermittency in consolidated rock, we image a steady state flow of brine and decane in Bentheimer sandstone. We devise an experimental method based on X-ray differential imaging method to examine how changes in flow rate impact the pore-scale distribution of fluids during co-injection flow under dynamic flow conditions at steady state. This helps us elucidate the diverse flow regimes (connected, intermittent break-up, or continual break-up of the non-wetting phase pathways) for two capillary numbers. Also, relative permeability curves under both capillary and viscous limited conditions could be measured. We have performed imbibition sample floods using oil-brine and measured steady state relative permeability on a sandstone rock core in order to fully characterize the flow behaviour at low and high Ca. Two sets of experiments at high and low flow rates are provided to explore the time-evolution of the non-wetting phase clusters distribution under different flow conditions. The high flow rate is 0.5 mL/min, whose corresponding capillary number is 7.7×10-6. The low flow rate is 0.02 mL/min, whose capillary number is 3.1×10-7. A procedure based on using high-salinity brine as the contrast phase and applying differential imaging between the dry scan and that of the sample saturation with a 30 wt% Potassium iodide (KI) doped brine help to make sure there is no non-wetting phase in micro-pores. Then the intermittent phase in multiphase flow image at high Ca can be quantified by obtaining the differential image between the 30 wt% KI brine image and the scans that taken at each fixed fractional flow. By using the grey scale histogram distribution of the raw images at each condition, the oil proportion in the intermittent phase can be calculated. The pressure drops at each fractional flow at low and high Ca can be measured by high-precision pressure differential sensors and utilized to calculate to the relative permeability at pore scale. The relative

  7. Five Fatty Aldehyde Dehydrogenase Enzymes from Marinobacter and Acinetobacter spp. and Structural Insights into the Aldehyde Binding Pocket

    Energy Technology Data Exchange (ETDEWEB)

    Bertram, Jonathan H.; Mulliner, Kalene M.; Shi, Ke; Plunkett, Mary H.; Nixon, Peter; Serratore, Nicholas A.; Douglas, Christopher J.; Aihara, Hideki; Barney, Brett M.; Parales, Rebecca E.

    2017-04-07

    ABSTRACT

    Enzymes involved in lipid biosynthesis and metabolism play an important role in energy conversion and storage and in the function of structural components such as cell membranes. The fatty aldehyde dehydrogenase (FAldDH) plays a central function in the metabolism of lipid intermediates, oxidizing fatty aldehydes to the corresponding fatty acid and competing with pathways that would further reduce the fatty aldehydes to fatty alcohols or require the fatty aldehydes to produce alkanes. In this report, the genes for four putative FAldDH enzymes fromMarinobacter aquaeoleiVT8 and an additional enzyme fromAcinetobacter baylyiwere heterologously expressed inEscherichia coliand shown to display FAldDH activity. Five enzymes (Maqu_0438, Maqu_3316, Maqu_3410, Maqu_3572, and the enzyme reported under RefSeq accession no.WP_004927398) were found to act on aldehydes ranging from acetaldehyde to hexadecanal and also acted on the unsaturated long-chain palmitoleyl and oleyl aldehydes. A comparison of the specificities of these enzymes with various aldehydes is presented. Crystallization trials yielded diffraction-quality crystals of one particular FAldDH (Maqu_3316) fromM. aquaeoleiVT8. Crystals were independently treated with both the NAD+cofactor and the aldehyde substrate decanal, revealing specific details of the likely substrate binding pocket for this class of enzymes. A likely model for how catalysis by the enzyme is accomplished is also provided.

    IMPORTANCEThis study provides a comparison of multiple enzymes with the ability

  8. Experimental study of extent and rate of gravity drainage of oil from matrix into fractures in presence of miscible and immiscible CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Asghari, K.; Torabi, F. [Regina Univ., SK (Canada)

    2007-07-01

    The use of miscible carbon dioxide (CO{sub 2}) injection to improve oil recovery in naturally fractured reservoirs was discussed. The main production mechanism in fractured reservoirs is gravity drainage. The performance of this process is a function of a series of parameters such as fracture-matrix geometry, size, and matrix-fracture flow interaction. Both viscosity and density of oil and injected CO{sub 2} play important roles in the case of miscible CO{sub 2}. This paper presented the results of an experimental study of the effect of injecting CO{sub 2} into fractured media and its influence on the performance of gravity drainage and ultimate oil production. Both miscible and immiscible schemes for CO{sub 2} were examined in this study. In order to simulate a matrix with surrounding fractures, a steel holder was specifically designed to allow for an open space around a core of 30 cm long and 5 cm in diameter. CO{sub 2} and normal decane were used as solvent and oil, respectively. All experiments were conducted at constant temperature of 35 degrees C, and six series of experiments were carried out at 250, 500, 750, 1000, 1250, and 1500 psi. The produced oil was collected and measured continuously under the pressure and temperature conditions of the experiments. It was shown that injecting CO{sub 2} at higher pressures substantially improves the recovery factor of gravity drainage mechanism in fractured media. The injection of CO{sub 2} in fractures at pressures below minimum miscibility pressures (MMP) can recover up to 19 per cent of oil in-place (OIP). However, at miscible conditions, oil recovery can increase to more than 50 per cent of OIP. At a pressure much above MMP of CO{sub 2}, ultimate recovery may decrease due to the presence of denser fluid in fractures, which could prevent flow of fluid from matrix into fractures. It was concluded that CO{sub 2} injection in fractured reservoir may be a viable option for combined CO{sub 2} EOR and storage projects

  9. Microbial Physiology of the Conversion of Residual Oil to Methane: A Protein Prospective

    Science.gov (United States)

    Morris, Brandon E. L.; Bastida-Lopez, Felipe; von Bergen, Martin; Richnow, Hans-Hermann; Suflita, Joseph M.

    2010-05-01

    Traditional petroleum recovery techniques are unable to extract the majority of oil in most petroliferous deposits. The recovery of even a fraction of residual hydrocarbon in conventional reserves could represent a substantive energy supply. To this end, the microbial conversion of residual oil to methane has gained increasing relevance in recent years [1,2]. Worldwide demand for methane is expected to increase through 2030 [3], as it is a cleaner-burning alternative to traditional fuels [4]. To investigate the microbial physiology of hydrocarbon-decomposition and ultimate methanogenesis, we initiated a two-pronged approach. First, a model alkane-degrading sulfate-reducing bacterium, Desulfoglaeba alkanexedens, was used to interrogate the predominant metabolic pathway(s) differentially expressed during growth on either n-decane or butyrate. A total of 81 proteins were differentially expressed during bacterial growth on butyrate, while 100 proteins were unique to the alkane-grown condition. Proteins related to alkylsuccinate synthase, or the homologous 1-methyl alkylsuccinate synthase, were identified only in the presence of the hydrocarbon. Secondly, we used a newly developed stable isotope probing technique [5] targeted towards proteins to monitor the flux of carbon through a residual oil-degrading bacterial consortium enriched from a gas-condensate contaminated aquifer [1]. Combined carbon and hydrogen stable isotope fractionation identified acetoclastic methanogenesis as the dominant process in this system. Such findings agree with the previous clone library characterization of the consortium. Furthermore, hydrocarbon activation was determined to be the rate-limiting process during the net conversion of residual oil to methane. References 1. Gieg, L.M., K.E. Duncan, and J.M. Suflita, Bioenegy production via microbial conversion of residual oil to natural gas. Appl Environ Micro, 2008. 74(10): p. 3022-3029. 2. Jones, D.M., et al., Crude-oil biodegradation via

  10. The competition between mineral dust and soot ice nuclei in mixed-phase clouds (Invited)

    Science.gov (United States)

    Murray, B. J.; Atkinson, J.; Umo, N.; Browse, J.; Woodhouse, M. T.; Whale, T.; Baustian, K. J.; Carslaw, K. S.; Dobbie, S.; O'Sullivan, D.; Malkin, T. L.

    2013-12-01

    The amount of ice present in mixed-phase clouds, which contain both supercooled liquid water droplets and ice particles, affects cloud extent, lifetime, particle size and radiative properties. The freezing of cloud droplets can be catalysed by the presence of aerosol particles known as ice nuclei. In this talk our recent laboratory and global aerosol modelling work on mineral dust and soot ice nuclei will be presented. We have performed immersion mode experiments to quantify ice nucleation by the individual minerals which make up desert mineral dusts and have shown that the feldspar component, rather than the clay component, is most important for ice nucleation (Atkinson et al. 2013). Experiments with well-characterised soot generated with eugenol, an intermediate in biomass burning, and n-decane show soot has a significant ice nucleation activity in mixed-phase cloud conditions. Our results for soot are in good agreement with previous results for acetylene soot (DeMott, 1990), but extend the efficiency to much higher temperatures. We then use a global aerosol model (GLOMAP) to map the distribution of soot and feldspar particles on a global basis. We show that below about -15oC that dust and soot together can explain most observed ice nuclei in the Earth's atmosphere, while at warmer temperatures other ice nuclei types are needed. We show that in some regions soot is the most important ice nuclei (below -15oC), while in others feldspar dust dominates. Our results suggest that there is a strong anthropogenic contribution to the ice nuclei population, since a large proportion of soot aerosol in the atmosphere results from human activities. Atkinson, J. D., Murray, B. J., Woodhouse, M. T., Carslaw, K. S., Whale, T. F., Baustian, K. J., Dobbie, S., O'Sullivan, D., and Malkin, T. L.: The importance of feldspar for ice nucleation by mineral dust in mixed-phase clouds, Nature, 10.1038/nature12278, (2013). Demott, P. J. 1990. An Exploratory-Study of Ice Nucleation by Soot

  11. Pharmacological, neurochemical, and behavioral profile of JB-788, a new 5-HT1A agonist.

    Science.gov (United States)

    Picard, M; Morisset, S; Cloix, J F; Bizot, J C; Guerin, M; Beneteau, V; Guillaumet, G; Hevor, T K

    2010-09-01

    A novel pyridine derivative, 8-{4-[(6-methoxy-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-3-ylmethyl)-amino]-butyl}-8-aza-spiro[4.5]decane-7,9-dione hydrochloride, termed JB-788, was designed to selectively target 5-HT(1A) receptors. In the present study, the pharmacological profile of JB-788 was characterized in vitro using radioligands binding tests and in vivo using neurochemical and behavioural experiments. JB-788 bound tightly to human 5-HT(1A) receptor expressed in human embryonic kidney 293 (HEK-293) cells with a K(i) value of 0.8 nM. Its binding affinity is in the same range as that observed for the (+/-)8-OH-DPAT, a reference 5HT(1A) agonist compound. Notably, JB-788 only bound weakly to 5-HT(1B) or 5-HT(2A) receptors and moreover the drug displayed only weak or indetectable binding to muscarinic, alpha(2), beta(1) and beta(2) adrenergic receptors, or dopaminergic D(1) receptors. JB-788 was found to display substantial binding affinity for dopaminergic D(2) receptors and, to a lesser extend to alpha(1) adrenoreceptors. JB-788 dose-dependently decreased forskolin-induced cAMP accumulation in HEK cells expressing human 5-HT(1A), thus acting as a potent 5-HT(1A) receptor agonist (E(max.) 75%, EC(50) 3.5 nM). JB-788 did not exhibit any D(2) receptor agonism but progressively inhibited the effects of quinpirole, a D(2) receptor agonist, in the cAMP accumulation test with a K(i) value of 250 nM. JB-788 induced a weak change in cAMP levels in mouse brain but, like some antipsychotics, transiently increased glycogen contents in various brain regions. Behavioral effects were investigated in mice using the elevated plus-maze. JB-788 was found to increase the time duration spent by animals in anxiogenic situations. Locomotor hyperactivity induced by methamphetamine in mouse, a model of antipsychotic activity, was dose-dependently inhibited by JB-788. Altogether, these results suggest that JB-788 displays pharmacological properties, which could be of interest in the area

  12. Controlled release of ibuprofen by meso–macroporous silica

    International Nuclear Information System (INIS)

    Santamaría, E.; Maestro, A.; Porras, M.; Gutiérrez, J.M.; González, C.

    2014-01-01

    Structured meso–macroporous silica was successfully synthesized from an O/W emulsion using decane as a dispersed phase. Sodium silicate solution, which acts as a silica source and a poly(ethylene oxide)–poly(propylene oxide)–poly(ethylene oxide) (EO 19 PO 39 EO 19 ) denoted as P84 was used in order to stabilize the emulsion and as a mesopore template. The materials obtained were characterized through transmission electron microscopy (TEM), scanning electron microscopy (SEM), small-angle X-ray diffraction scattering (SAXS) and nitrogen adsorption–desorption isotherms. Ibuprofen (IBU) was selected as the model drug and loaded into ordered meso–macroporous materials. The effect of the materials’ properties on IBU drug loading and release was studied. The results showed that the loading of IBU increases as the macropore presence in the material is increased. The IBU adsorption process followed the Langmuir adsorption isotherm. A two-step release process, consisting of an initial fast release and then a slower release was observed. Macropores enhanced the adsorption capacity of the material; this was probably due to the fact that they allowed the drug to access internal pores. When only mesopores were present, ibuprofen was probably adsorbed on the mesopores close to the surface. Moreover, the more macropore present in the material, the slower the release behaviour observed, as the ibuprofen adsorbed in the internal pores had to diffuse along the macropore channels up to the surface of the material. The material obtained from a highly concentrated emulsion was functionalized with amino groups using two methods, the post-grafting mechanism and the co-condensation mechanism. Both routes improve IBU adsorption in the material and show good behaviour as a controlled drug delivery system. - Graphical abstract: Ibuprofen release profiles for the materials obtained from samples P84 m eso (black diamonds), P84 2 0% (white squares), P84 5 0% (black triangles), P84 7

  13. The development of a high-throughput gradient array apparatus for the study of porous polymer networks.

    Energy Technology Data Exchange (ETDEWEB)

    Majumdar, Partha (North Dakota State University, Fargo, ND); Lee, Elizabeth (North Dakota State University, Fargo, ND); Chisholm, Bret J. (North Dakota State University, Fargo, ND); Dirk, Shawn M.; Weisz, Michael (North Dakota State University, Fargo, ND); Bahr, James (North Dakota State University, Fargo, ND); Schiele, Kris (North Dakota State University, Fargo, ND)

    2010-01-01

    , and poragen composition. A total of 16 different porous composites were produced and characterized using SEM. In general, the results showed that pore morphology and the distribution of metal particles was dependent on multiple factors. For example, the use of silver nanoparticles did not significantly affect pore morphology for composites derived from decanol as the poragen, but exceptionally large pores were obtained with the use of decane as the poragen. With regard to the effect of metal particle size, silver nanoparticles were essentially exclusively dispered in the polymer matrix while silver microparticles were found in pores. For nickel particles, both nanoparticles and microparticles were largely dispersed in the polymer matrix and not in the pores.

  14. The variation of molybdenum isotopes within the weathering system of the black shales

    Science.gov (United States)

    Jianming, Z.

    2016-12-01

    Jian-Ming Zhu 1,2, De-Can Tan 2, Liang Liang 2, Wang Jing21 State Key Laboratory of Geological Processes and Mineral Resources, China University of Geosciences, Beijing, 100083, China 2 State Key Laboratory of Environmental Geochemistry, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang, 550002, China Molybdenum (Mo) stable isotopes have been developed as a tracer to indicate the evolution of the atmospheric and oceanic oxygenation related with continent weathering, and to reveal the extent of ancient oceanic euxinia. Molybdenum isotopic variation within the weathering system of basalts has been studied, and was presented the whole trend with heavier isotopes preferentially removed during weathering processes. However, there are few researches to study the variation of Mo isotopes during black shale weathering, especiall on the behavoir of Mo isotopes within the perfect shales' profiles. Here, the weathering profiles of Mo and selenium(Se)-rich carbonaceous rocks in Enshi southwest Hubei Province were selected. The Mo isotopes was measured on Nu Plasma II's MC-ICP-MS using 97Mo-100Mo double spike, and δ98/95Mo was reported relative to NIST 3134. A comprehensive set of Mo isotopic composition and concentration data from the unweathered, weakly and intensely weathered rocks were collected. The δ98/95Mo in fresh shales (220±248 mg/kg Mo, 1SD, n=41) from Shadi and Yutangba drill cores varies from 0.41‰ to 0.99‰ with an average of 0.67±0.16‰, while the strongly weathered shales (19.9±5.8 mg/kg Mo, 1SD, n=5) from Shadi profiles are isotopically heavier with average δ98/95Mo values of 1.03±0.10‰ (1SD, n=5). The Locally altered shales exposed in a quarry at Yutangba are highly enriched in Mo, varing from 31 to 2377 mg/kg with an average of 428 ±605mg/kg (1SD, n=24), approximately 2 times greater than that in fresh shales samples. These rocks are presented a significant variation in δ98/95Mo values varing from -0.24 ‰ to -3.99 ‰ with

  15. Cultural and wild plant species as bio indicators and phyto-remedies of PHC contaminated soils in Russia

    International Nuclear Information System (INIS)

    Breus, I.; Larionova, N.; Semenova, E.; Breus, V.

    2005-01-01

    experiments: plant seed germination degree and energy, root and seedling length and biomass. Leached chernozem was contaminated by kerosene (KS) and 1-methyl-naphthalene (1-MeN). In experiments with 1-MeN the effect of aged contamination was also studied. Then experiments in vegetation vessels upon contamination of leached chernozem by kerosene and by mixture of 1-methyl-naphthalene and tri-decane were carried out. In the vegetation experiments with kerosene the phyto-remediation effect was also studied. At the first stage plant seed germination degree and germination energy in laboratory experiments on PHC-contaminated soil were determined. Upon soil contamination with 1% of kerosene the germination of majority of plants did not decrease significantly (it was 70-100%) with the exception of amaranth (60%). Upon 5% of kerosene 19 sensitive species could be used for bio-indication (germination less than 70%), including amaranth, fescue, timothy, sedge, oats, rastoropsha, kostrez, pease, mustard, colza e.a. Upon 10 and 15% of kerosene 15 species (with germination less than 70%) were bio-indicative. On the other hand some species as flax, sunflower and certain leguminosae had germination of 70% and more even upon 10 and 15% of soil contamination by kerosene. So, for the majority of the studied plants the germination parameters can be used for bio-indication only at the high levels of soil contamination by kerosene (more than 5%). For the majority of investigated plants the decrease of seed germination energy in experiments was observed. In experiments with 1-methyl-naphthalene 9 cultural species were investigated. In comparison to kerosene 1-methyl-naphthalene was much more toxic for all plant seeds at all studied contaminant levels. The ageing of contamination significantly lowered the phyto-toxicity (in relation to plant seed germination) of leached chernozem contaminated with 1-methyl-naphthalene. In special vegetative experiments we have proved not only the indirect influence

  16. Cultural and wild plant species as bio indicators and phyto-remedies of PHC contaminated soils in Russia

    Energy Technology Data Exchange (ETDEWEB)

    Breus, I.; Larionova, N.; Semenova, E.; Breus, V. [Kazan State Univ., Dept. of Geography and Geoecology (Russian Federation)

    2005-07-01

    experiments: plant seed germination degree and energy, root and seedling length and biomass. Leached chernozem was contaminated by kerosene (KS) and 1-methyl-naphthalene (1-MeN). In experiments with 1-MeN the effect of aged contamination was also studied. Then experiments in vegetation vessels upon contamination of leached chernozem by kerosene and by mixture of 1-methyl-naphthalene and tri-decane were carried out. In the vegetation experiments with kerosene the phyto-remediation effect was also studied. At the first stage plant seed germination degree and germination energy in laboratory experiments on PHC-contaminated soil were determined. Upon soil contamination with 1% of kerosene the germination of majority of plants did not decrease significantly (it was 70-100%) with the exception of amaranth (60%). Upon 5% of kerosene 19 sensitive species could be used for bio-indication (germination less than 70%), including amaranth, fescue, timothy, sedge, oats, rastoropsha, kostrez, pease, mustard, colza e.a. Upon 10 and 15% of kerosene 15 species (with germination less than 70%) were bio-indicative. On the other hand some species as flax, sunflower and certain leguminosae had germination of 70% and more even upon 10 and 15% of soil contamination by kerosene. So, for the majority of the studied plants the germination parameters can be used for bio-indication only at the high levels of soil contamination by kerosene (more than 5%). For the majority of investigated plants the decrease of seed germination energy in experiments was observed. In experiments with 1-methyl-naphthalene 9 cultural species were investigated. In comparison to kerosene 1-methyl-naphthalene was much more toxic for all plant seeds at all studied contaminant levels. The ageing of contamination significantly lowered the phyto-toxicity (in relation to plant seed germination) of leached chernozem contaminated with 1-methyl-naphthalene. In special vegetative experiments we have proved not only the indirect influence

  17. 3d Simulation of Di Diesel Combustion and Pollutant Formation Using a Two-Component Reference Fuel Simulation 3D de la combustion et de la formation des polluants dans un moteur Diesel à injection directe en utilisant un carburant de référence à deux composants

    Directory of Open Access Journals (Sweden)

    Barths H.

    2006-12-01

    Full Text Available By separating the fluid dynamic calculation from that of the chemistry, the unsteady flamelet model allows the use of comprehensive chemical mechanisms, which include several hundred reactions. This is necessary to describe the different processes that occur in a DI Diesel engine such as autoignition, the burnout in the partially premixed phase, the transition to diffusive burning, and formation of pollutants like NOx and soot. The highly nonlinear reaction rates need not to be simplified, and the complete structure of the combustion process is preserved. Using the Representative Interactive Flamelet (RIF model, the one-dimensional unsteady set of partial differential equations is solved online with the 3D CFD code. The flamelet solution is coupled to the flow and mixture field by several time dependent parameters (enthalpy, pressure, scalar dissipation rate. In return, the flamelet code yields the species concentrations, which are then used by the 3D CFD code to compute the temperature field and the density. The density is needed in the 3D CFD code for the solution of the turbulent flow and mixture field. Pollutant formation in a Volkswagen DI 1900 Diesel engine is investigated experimentally. The engine is fueled with Diesel and two reference fuels. One reference fuel is pure n-decane. The second is a two-component fuel consisting of 70% (liquid volume n-decane and of 30% (liquid volume alpha-methylnaphthalene (Idea-fuel. The experimental results show good agreement for the whole combustion cycle (ignition delay, maximum pressures, torque and pollutant formation between the two-component reference fuel and Diesel. The simulations are performed for both reference fuels and are compared to the experimental data. Nine different flamelet calculations are performed for each simulation to account for the variability of the scalar dissipation rate, and its effect on ignition is discussed. Pollutant formation (NOx and soot is predicted for both

  18. Automatic analysis and reduction of reaction mechanisms for complex fuel combustion

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, Daniel

    2001-05-01

    This work concentrates on automatic procedures for simplifying chemical models for realistic fuels using skeletal mechanism construction and Quasi Steady-State Approximation (QSSA) applied to detailed reaction mechanisms. To automate the selection of species for removal or approximation, different indices for species ranking have thus been proposed. Reaction flow rates are combined with sensitivity information for targeting a certain quantity, and used to determine a level of redundancy for automatic skeletal mechanism construction by exclusion of redundant species. For QSSA reduction, a measure of species lifetime can be used for species ranking as-is, weighted by concentrations or molecular transport timescales, and/or combined with species sensitivity. Maximum values of the indices are accumulated over ranges of parameters, (e.g. fuel-air ratio and octane number), and species with low accumulated index values are selected for removal or steady-state approximation. In the case of QSSA, a model with a certain degree of reduction is automatically implemented as FORTRAN code by setting a certain index limit. The code calculates source terms of explicitly handled species from reaction rates and the steady-state concentrations by internal iteration. Homogeneous-reactor and one-dimensional laminar-flame models were used as test cases. A staged combustor fuelled by ethylene with monomethylamine addition is modelled by two homogeneous reactors in sequence, i.e. a PSR (Perfectly Stirred Reactor) followed by a PFR (Plug Flow Reactor). A modified PFR model was applied for simulation of a Homogeneous Charge Compression Ignition (HCCI) engine fuelled with four-component natural gas, whereas a two-zone model was required for a knocking Spark Ignition (SI) engine powered by Primary Reference Fuel (PRF). Finally, a laminar one-dimensional model was used to simulate premixed flames burning methane and an aeroturbine kerosene surrogate consisting of n-decane and toluene. In

  19. Miscibility Evaluation Of The Next Generation Solvent With Polymers Currently Used At DWPF, MCU, And Saltstone

    Energy Technology Data Exchange (ETDEWEB)

    Fondeur, F. F.

    2013-04-17

    will not impact decontamination or immobilization operations at Savannah River Site (SRS). Some applications have zero tolerance for dimensional changes such as the operation of valves while other applications a finite dimensional change improves the function of the application such as seals and gaskets. Additional considerations are required before using the conclusions from this work to judge outcomes in field applications. Decane, a component of Isopar L that is most likely to interact with the polymers, mildly interacted with the elastomers and the propylene based polymers but their degree of swelling is at most 10% and the confined geometry that they are typically placed in indicate this is not significant. In addition, it was found that Vellumoid may leach protein into the NGS solvent. Since Vellumoid is used at the mixer in Saltstone where it sees minimum quantities of solvent, this leaching has no effect on the extraction process at MCU or the immobilization process at saltstone. No significant interaction is expected between MaxCalix and the polymers and elastomers used at MCU, DWPF, and Saltstone. Overall, minimal and insignificant interactions are expected on extraction and immobilization operations when MCU switches from CSSX to NGS solvent. It is expected that contacting NGS will not accelerate the aging rate of polymers and elastomers under radiation and heat. This is due to the minimal interaction between NGS and the polymers and the confined geometries for these polymers. SRNL recommends the use of the HSP method (for screening) and some testing to evaluate the impact of other organic such as alcohols, glycolate, and their byproducts on the polymers used throughout the site.

  20. Use of Soybean Lecithin in Shape Controlled Synthesis of Gold Nanoparticles

    Science.gov (United States)

    Ayres, Benjamin Robert

    by high performance liquid chromatography and liquid chromatography-mass spectrometry. However, re-spike of these components into growth solutions did not enhance the growth of gold nanoprisms. Upon separating the shapes of the gold nanoparticles using gel electrophoresis, addition of KCN to the separated gold nanoparticles allowed us to extract the culpable ligands for shape control. Analysis of these ligands by mass spectrometry elucidated the identity of PA and upon re-spike of the PA into a growth solution of PC95, the growth of a near-infrared plasmon absorption was seen. The stability of these gold nanoparticles was tested with and without the addition of decane thiol and it was concluded that addition of the thiol allowed for improved stability of the gold nanoparticles towards cyanide. It was determined that at a concentration of 2 μM decanethiol, spherical gold nanoparticles remained stable to cyanide at the expense of the prismatic gold nanoparticles. However, at 5 μM decanethiol, both spherical and prismatic gold nanoparticles retained stability to cyanide in aqueous conditions.

  1. Volatile organic compounds at swine facilities: a critical review.

    Science.gov (United States)

    Ni, Ji-Qin; Robarge, Wayne P; Xiao, Changhe; Heber, Albert J

    2012-10-01

    Volatile organic compounds (VOCs) are regulated aerial pollutants that have environmental and health concerns. Swine operations produce and emit a complex mixture of VOCs with a wide range of molecular weights and a variety of physicochemical properties. Significant progress has been made in this area since the first experiment on VOCs at a swine facility in the early 1960s. A total of 47 research institutions in 15 North American, European, and Asian countries contributed to an increasing number of scientific publications. Nearly half of the research papers were published by U.S. institutions. Investigated major VOC sources included air inside swine barns, in headspaces of manure storages and composts, in open atmosphere above swine wastewater, and surrounding swine farms. They also included liquid swine manure and wastewater, and dusts inside and outside swine barns. Most of the sample analyses have been focusing on identification of VOC compounds and their relationship with odors. More than 500 VOCs have been identified. About 60% and 10% of the studies contributed to the quantification of VOC concentrations and emissions, respectively. The largest numbers of VOC compounds with reported concentrations in a single experimental study were 82 in air, 36 in manure, and 34 in dust samples. The relatively abundant VOC compounds that were quantified in at least two independent studies included acetic acid, butanoic acid (butyric acid), dimethyl disulfide, dimethyl sulfide, iso-valeric, p-cresol, propionic acid, skatole, trimethyl amine, and valeric acid in air. They included acetic acid, p-cresol, iso-butyric acid, butyric acid, indole, phenol, propionic acid, iso-valeric acid, and skatole in manure. In dust samples, they were acetic acid, propionic acid, butyric acid, valeric acid, p-cresol, hexanal, and decanal. Swine facility VOCs were preferentially bound to smaller-size dusts. Identification and quantification of VOCs were restricted by using instruments based on

  2. Aging as Evolution-Facilitating Program and a Biochemical Approach to Switch It Off

    Science.gov (United States)

    Skulachev, Vladimir P.

    A concept is presented considering aging of living organisms as a final step of their ontogenetic program. It is assumed that such an aging program was invented by biological evolution to facilitate the evolutionary process. Indications are summarized suggesting that controlled production of toxic forms of oxygen (so called reactive oxygen species) by respiring intracellular organelles (mitochondria) is an obligatory component of the aging program. First results of a research project devoted to an attempt to interrupt aging program by antioxidants specifically addressed to mitochondria have been described. Within the framework of the project, antioxidants of a new type (SkQ) were synthesized. SkQs are composed of (i) plastoquinone (an antioxidant moiety), (ii) a penetrating cation, and (iii) a decane or pentane linker. Using planar bilayer phospholipid membranes, we selected SkQ derivatives of the highest penetrability, namely plastoquinonyl decyl triphenylphosphonium (SkQ1), plastoquinonyl decyl rhodamine 19 (SkQR1), and methylplastoquinonyl decyl triphenylphosphonium (SkQ3). Anti- and prooxidant properties of these substances and also of ubiquinonyl-decyl-triphenylphosphonium (MitoQ) were tested in isolated mitochondria. Micromolar concentrations of cationic quinones are found to be very strong prooxidants, but in the lower (sub-micromolar) concentrations they display antioxidant activity which decreases in the series SkQ1 = SkQR1 > SkQ3 > MitoQ. Thus, the window between the anti- and prooxidant effects is the smallest for MitoQ and the largest for SkQ1 and SkQR1. SkQ1 is rapidly reduced by complex III of the mitochondrial respiratory chain, i.e. it is a rechargeable antioxidant. Extremely low concentrations of SkQ1 and SkQR1 completely arrest the H2O2-induced apoptosis in human fibroblasts and HeLa cells (for SkQ1, C 1/2 = 8 · 10-9M). Higher concentrations of SkQ1 are required to block necrosis initiated by reactive oxygen species (ROS). In mice, SkQ1

  3. Experiments on Nitrogen Oxide Production of Droplet Arrays Burning under Microgravity Conditions

    Science.gov (United States)

    Moesl, Klaus; Sattelmayer, Thomas; Kikuchi, Masao; Yamamoto, Shin; Yoda, Shinichi

    . One droplet array consisted of five droplets (for sounding rocket) and 9 -17 droplets (for drop tower) of the hydrocarbon n-decane (C10 H22 ). While keeping the pressure at 1.0 bar (+/-20 mbar), the combustion chamber temperature and the fuel vaporization time were varied in the range of 300 -500 K and 0.5 -18 s, respectively. Consequently, the total amount of fuel, the local equivalence ratio Φ along the droplet array, and the dimensionless droplet spacing S/d0 , with d0 being the initial droplet diameter, were adapted. Ignition was initiated by a hot-wire igniter from one end of the droplet array. Representative gas samples were collected from every single combustion sequence after flame extinction and stored in specially treated gas sampling cylinders for their succeeding analysis on ground. Visual observation of the combustion process, as well as temperature and pressure logging, supported the scientific interpretation of the gas analysis. With an increase of the preheating temperature, NOX emissions increase due to a higher effec-tive flame temperatures. However, with an increasing pre-vaporization, NOX emissions become lower due to the dropping number and the dropping size of burning droplets, acting as hot spots. A correction for the effect of the preheating temperature was developed. It reveals the effect of pre-vaporization and shows that the NOX emissions are almost independent of it for near-stoichiometric operation. At overall lean conditions the NOX emissions drop non-linearly with the degree of vaporization. Up to now, this leads to the conclusion that a high degree of vaporization is required in order to achieve substantial NOX abatement.

  4. Study of the interactions between uranium and organic compounds in the hydrothermal systems

    International Nuclear Information System (INIS)

    Salze, David

    2008-01-01

    Formers studies on the relations between organic matter and uranium have shown that these interactions go since the complexation and the transport of uranium in organics fluids until its reduction by the organic matter leading to the uranium-bearing mineral precipitation. An experimental study of these reactions to 200 deg. C and 500 bars between experimental compounds (pure organic compounds) such as the n-alkanes (n-pentane, n-hexane, n-heptane, n-octane, n-nonane, n-decane, n-dodecane, n-tetradecane and n-hexadecane), an n-alkene hydrocarbon (n-dec-1-ene), cycles (butyl-cyclohexane and cyclo-hexane) and the aromatic ones (butyl-benzene and naphthalene), and hexavalent uranium oxides was undertaken. These experiments allowed to show a progressive oxidation of n-alkanes starting from made up C6. The increasing size of the aliphatic chains and the increase in the time of setting in interaction are major factors of the increase in the environment oxidizing capacity in interaction with uranium on the organic compound. The determination of the oxidation step of uranium oxides after experiment made it possible to determine that in aqueous environment the aliphatic model compounds are reducers more powerful than the aromatic compounds. An organic matter from lake or marine origin generally has an aliphatic fraction larger than the organic matter of continental origin and thus will be more likely to reduce uranium. A natural example, the uranium deposits in the sandstones from Arlit, the tectono-lithologic type, was selected in order to apply the results obtained in the experimental part. They are located in fluviatile sandstones rich in organic matter of continental origin (type III) deposited in the paleo-channels. Former authors considered that only this organic matter of type III was responsible for the reduction of U (VI) in U (IV). Work which was undertaken in the present study shows that migrated oils of probable marine origin strongly contributed to the genesis

  5. Bimolecular encounters and re-encounters (cage effect) of a spin-labeled analogue of cholestane in a series of n-alkanes: effect of anisotropic exchange integral.

    Science.gov (United States)

    Vandenberg, Andrew D; Bales, Barney L; Salikhov, K M; Peric, Miroslav

    2012-12-27

    Electron paramagnetic resonance (EPR) spectra of the nitroxide spin probe 3β-doxyl-5α-cholestane (CSL) are studied as functions of the molar concentration, c, and the temperature, T, in a series of n-alkanes. The results are compared with a similar study of a much smaller spin probe, perdeuterated 2,2,6,6-tetramethyl-4-oxopiperidine-1-oxyl (pDT). The Heisenberg spin exchange (HSE) rate constants, K(ex), of CSL are similar in hexane, octane, and decane and are about one-half of those for pDT in the same solvents. They are also about one-half of the Stokes-Einstein-Perrin prediction. This reduction in HSE efficiency is attributed to an effective steric factor, f(eff), which was evaluated by comparing the results with the Stokes-Einstein-Perrin prediction or with pDT, and it is equal to 0.49 ± 0.03, independent of temperature. The unpaired spin density in CSL is localized near one end of the long molecule, so the exchange integral, J, leading to HSE, is expected to be large in some collisions and small in others; thus, J is modeled by an ideal distribution of values of J = J(0) with probability f and J = 0 with probability (1 - f). Because of rotational and translation diffusion during contact and between re-encounters of the probe, the effective steric factor is predicted to be f(eff) = f(1/2). Estimating the fraction of the surface of CSL with rich spin density yields a theoretical estimate of f(eff) = 0.59 ± 0.08, in satisfactory agreement with experiment. HSE is well described by simple hydrodynamic theory, with only a small dependence on solvent-probe relative sizes at the same value of T/η, where η is the viscosity of the solvent. This result is probably due to a fortuitous interplay between long- and short-range effects that describe diffusion processes over relatively large distances. In contrast, dipole-dipole interactions (DD) as measured by the line broadening, B(dip), and the mean time between re-encounters within the cage, τ(RE), vary significantly

  6. Physical properties, evaporation and combustion characteristics of nanofluid-type fuels

    Science.gov (United States)

    Tanvir, Saad

    Nanofluids are liquids with stable suspension of nanoparticles. Limited studies in the past have shown that both energetic and catalytic nanoparticles once mixed with traditional liquid fuels can be advantageous in combustion applications, e.g., increased energy density and shortened ignition delay. Contradictions in existing literature, scarcity of experimental data and lack of understanding on how the added nanoparticles affect the physical properties as well as combustion characteristics of the resulting fuel motivated us to launch a detailed experimental and theoretical investigation. The surface tension of ethanol and n-decane based nanofluid fuels containing suspended nanoparticles were measured using the pendant drop method by solving the Young-Laplace equation. The results show that surface tension increases both with particle concentration (above a critical concentration) and particle size. This is because the Van der Waals forces between particles at the liquid/gas interface increases surface free energy that overcomes any electrostatic repulsion between the particles and increases surface tension. This present work also reports experimental analysis of the latent heat of vaporization ( Hfg) of nanofluids. Results show that the addition of Ag and Fe nanoparticles in water results is a substantial reduction in Hfg. On the contrary Al addition slightly increases Hfg. Similar observations are made for ethanol based nanofluids. Molecular dynamics simulations showed that the strength of bonding between particles and the fluid molecules is the governing factor in the variation of Hfg upon particle addition. The thermal conductivity was measured using KD2-Pro from Decagon Devices based on the transient line heat source method. The rheological properties of the ethanol and ethanol/nanoparticles suspensions are measured using a StresstechRTM rotational rheometer. Both properties increased with increasing particle concentration. Trends are found to be consistent

  7. Cost Effective Surfactant Formulations for Improved Oil Recovery in Carbonate Reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    William A. Goddard; Yongchun Tang; Patrick Shuler; Mario Blanco; Yongfu Wu

    2007-09-30

    power is pre-treated to make the surface oil-wet. The next step is to add the pre-treated powder to a test tube and add a candidate aqueous surfactant formulation; the greater the percentage of the calcite that now sinks to the bottom rather than floats, the more effective the surfactant is in changing the solids to become now preferentially water-wet. Results from the screening test generally are consistent with surfactant oil recovery performance reported in the literature. The second effort is a more fundamental study. It considers the effect of chemical structures of different naphthenic acids (NA) dissolved in decane as model oils that render calcite surfaces oil-wet to a different degree. NAs are common to crude oil and are at least partially responsible for the frequent observation that carbonate reservoirs are oil-wet. Because pure NA compounds are used, trends in wetting behavior can be related to NA molecular structure as measured by solid adsorption, contact angle and our novel, simple flotation test with calcite. Experiments with different surfactants and NA-treated calcite powder provide information about mechanisms responsible for sought after reversal to a water-wet state. Key findings include: (1) more hydrophobic NA's are more prone to induce oil-wetting, and (2) recovery of the model oil from limestone core was better with cationic surfactants, but one nonionic surfactant, Igepal CO-530, also had favorable results. This portion of the project included theoretical calculations to investigate key basic properties of several NAs such as their acidic strength and their relative water/oil solubility, and relate this to their chemical structure. The third category of this project focused on the recovery of a light crude oil from West Texas (McElroy Field) from a carbonate rock (limestone outcrop). For this effort, the first item was to establish a suite of surfactants that would be compatible with the McElroy Field brine. Those were examined further for

  8. Configuration de piégeage dans un milieu poreux à saturation résiduelle en huile Configuration of Trapping in a Porous Medium with Residual Oil Saturation

    Directory of Open Access Journals (Sweden)

    Sylvestre L.

    2006-11-01

    ainsi, d'une part, situer le comportement du milieu poreux par rapport aux deux états de référence précédemment définis et d'autre part, nous avons pu estimer la fraction du volume poreux en écoulement, la composition des zones stagnantes et leur taille moyenne, en fonction de la saturation en huile. L'analyse critique de ces résultats nous permet de conclure que, si certains comportements sont vraisemblablement caractéristiques de notre mode opératoire expérimental et du milieu poreux étudié, la technique mise au point (traçage et interprétation par un modèle PDE pourrait être utilisée avec succès dans le cas de milieux poreux réels. This article analyzes the hydrodynamics and spatial distribution of liquid phases in a porous medium with residual oil saturation. Experiments were performed in a porous medium made up of glass beads piled up in a column. Water drive was used to achieve decane saturations of up to 30% pore volume. The sweep water was traced during each experiment by a dyestuff that was insoluble in oil. The distribution curves of the tracer residence time, obtained upon issuing from the medium, were analyzed by a chromatographic model of the piston-dispersion type with exchange (PDE. This model covers all the pores in which the sweeping phase is flowing as well as the stagnant sections containing trapped water and oil. In the first phase an analysis of equations led to a definition, in the form of adimensional variables, of the penetrability of the porous medium and of the time constants respectively characterizing flow in the mobile phase and diffusion in stagnant zones. An examination of the influence of these variables on the flows transferred led to a definition of the state of distribution equilibrium of the solute between the stagnant and mobile phases. Two reference situations were chosen: (i equilibrium almost reached, and (ii negligible penetration of stagnant zones. On these bases, correlations were established between the

  9. SOL-Gel microspheres and nanospheres for controlled release applications

    International Nuclear Information System (INIS)

    Barbe, C.; Beyer, R.; Kong, L.; Blackford, M.; Trautman, R.; Bartlett, J.

    2002-01-01

    We present a novel approach to the synthesis of inorganic sol-gel microspheres for encapsulating organic and bioactive molecules, and controlling their subsequent release kinetics. The bioactive species are incorporated, at ambient temperature, into the inorganic particles using an emulsion gelation process. Independent control of the release rate (by adapting the nanostructure of the internal pore network to the physico-chemical properties of the bioactive molecules) and particle size (by tailoring the emulsion chemistry) is demonstrated. Sol-gel chemistry has been shown to be a flexible technique for producing inorganic silica matrices with tailored microstructures, which can be used for the encapsulation and controlled release of organic and bioactive molecules. The present paper extends this concept by combining sol-gel chemistry with an emulsion approach for producing inorganic particles with controlled dimensions, and demonstrates how the particle size and microstructure can be independently controlled. Sol-Gel Chemistry and Encapsulation of Model Compounds. A stock solution of 4-(2-hydroxy-l-naphthylazo) benzene sulfonic acid (Orange II) was produced by dissolving Orange II in water (0.1 wt%), and adjusting the pH to the required value. Sol-gel solutions were subsequently prepared by mixing the aqueous solution with tetramethylorthosilicate (TMOS) and methanol (MeOH), to achieve H 2 O:TMOS (W] and MeOH:TMOS mole ratios (D) of four. The resulting solution was stirred and left to age at ambient temperature for one day. A transparent emulsion was prepared by mixing selected surfactants and organic solvents. The surfactants used included sorbitan monooleate, sorbitan monolaurate and bis-2-ethylhexylsulfo-succinate (AOT), while the organic phase was typically chosen from the group consisting of kerosene, hexane, heptane, octane, decane, dodecane and cyclohexane. The sol-gel solution was added to the emulsion, and the resulting mixture was stirred at 500 rpm for

  10. Peripheral and spinal 5-HT receptors participate in the pronociceptive and antinociceptive effects of fluoxetine in rats.

    Science.gov (United States)

    Cervantes-Durán, C; Rocha-González, H I; Granados-Soto, V

    2013-11-12

    The role of 5-HT receptors in fluoxetine-induced nociception and antinociception in rats was assessed. Formalin produced a typical pattern of flinching and licking/lifting behaviors. Local peripheral ipsilateral, but not contralateral, pre-treatment with fluoxetine (0.3-3 nmol/paw) increased in a dose-dependent fashion 0.5% formalin-induced nociception. In contrast, intrathecal pretreatment with fluoxetine (0.3-3 nmol/rat) prevented nociception induced by formalin. The peripheral pronociceptive effect of fluoxetine was prevented by the 5-HT2A (ketanserin, 3-10 pmol/paw), 5-HT2B (3-(2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl)-2,4(1H,3H)-quinazolinedione(+) tartrate, RS-127445, 3-10 pmol/paw), 5-HT2C (8-[5-(2,4-dimethoxy-5-(4-trifluoromethylphenylsulphonamido) phenyl-5-oxopentyl]1,3,8-triazaspiro[4.5] decane-2,4-dione hydrochloride, RS-102221, 3-10 pmol/paw), 5-HT3 (ondansetron, 3-10 nmol/paw), 5-HT4 ([1-[2-methylsulphonylamino ethyl]-4-piperidinyl]methyl 1-methyl-1H-indole-3-carboxylate, GR-113808, 3-100 fmol/paw), 5-HT6 (4-iodo-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]benzene-sulfonamide hydrochloride, SB-258585, 3-10 pmol/paw) and 5-HT7 ((R)-3-(2-(2-(4-methylpiperidin-1-yl) ethyl) pyrrolidine-1-sulfonyl) phenol hydrochloride, SB-269970, 0.3-1 nmol/paw), but not by the 5-HT1A (N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-2-pyridinylcyclohexanecarboxamide maleate, WAY-100635, 0.3-1 nmol/paw), 5-HT1B/1D (N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1'-biphenyl-4-carboxamide hydrochloride hydrate, GR-127935, 0.3-1 nmol/paw), 5-HT1B (1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydrospiro[furo[2,3-f]indole-3,4'-piperidine hydrochloride, SB-224289, 0.3-1 nmol/paw), 5-HT1D (4-(3-chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol hydrochloride, BRL-15572, 0.3-1nmol/paw) nor 5-HT5A ((N-[2-(dimethylamino)ethyl]-N-[[4'-[[(2-phenylethyl)amino]methyl][1,1'-biphenyl]-4

  11. RD and D steering of a geological disposal programme in poorly indurated clays - ONDRAF/NIRAS example

    International Nuclear Information System (INIS)

    Van Geet, M.; Capouet, M.; Depaus, C.; Lalieux, P.

    2012-01-01

    Document available in extended abstract form only. For more than thirty years, Belgium has been investigating clay formations for its potential suitability to host a geological disposal. The R and D programme initiated as early as 1974 by the Belgian Nuclear Research Centre (SCK.CEN) at Mol was pursued from the early 1980's under ONDRAF/NIRAS' responsibility. These studies quickly focused on the Boom Clay formation at Mol-Dessel, in northeastern Belgium, as a potential host formation for a geological repository. The state of scientific and technical research on the possible disposal of high-and intermediate level radioactive waste (B and C waste) in clay layers was presented in decanal safety assessment reports and internationally reviewed. Over time, geological disposal in Boom Clay has progressively become the reference solution of ONDRAF/NIRAS for the long-term management of category B and C wastes, geological disposal in Ypresian Clays being considered as an alternative solution. The national and international peer review of the second Safety and Feasibility interim report (SAFIR 2) acknowledged in 2001 the maturity of the Belgian scientific program and endorsed ONDRAF/NIRAS conclusion to pursue the RD and D program on poorly indurated clays. Consequently, the NEA International Review Team urged ONDRAF/NIRAS to move on to the implementation phase while pursuing RD and D necessary to reduce the remaining uncertainties. This major step required ONDRAF/NIRAS to develop the frame and tools to embed its national program in a societal dialogue and in a stepwise decision-making plan with key milestones stretching over the next decades towards the licensing process. To serve these ends, ONDRAF/NIRAS has reassessed the organization of its geological disposal program. A strategy had to be set out to frame and formalize the stepwise and iterative development of a geological disposal in a coherent and integrating manner. Indeed, firstly, the maturity of the program had led

  12. NOx Reduction Technology in Diesel Engine Exhaust by the Plasmatron

    International Nuclear Information System (INIS)

    Joa, Sang Beom

    2008-02-01

    completeness of the partial fuel oxidation reaction up to 100%. Nitrogen was found to be the most effective gas for the synthesis gas production by a plasmatron. The preliminary experiments of introducing the reformation products into a diesel engine resulted in ∼25% NOx cut in the exhaust gas flow. A simulation experiment with the pure hydrogen addition to the inlet of a diesel engine showed that both components of the synthesis gas H 2 and CO fed into the engine play significant role in cutting NOx content in the engine's emission. The selective catalytic reduction (SCR) with propylene and decane as reductants in the presence of excess air over (Fe, Co-Pt)/ZSM-5 catalyst was conducted to remove NOx from Diesel exhaust gases. The SO 2 effect and deactivation test over above catalyst were also executed. ZSM-5 supported Co, Pt, Fe mixed oxide catalyst showed about 80% of conversion in the presence of NO. However, the activity was decreased when the catalyst was wash coated onto the ceramic monolith. We found that the deNOx activity over the catalyst was strongly depended on the amount of reductant. Therefore, the amount reductant and how to feed the reductant into the system should be considered as important factors to remove NOx. In order to develop the high removal NOx activity at low temperature and maintain the stable activity at the real exhaust gases condition, metallosilicate and Pt/ZSM-5 catalysts have been used. In case of metallosilicate catalyst, the deNOx activity was low at the oxidation atmospheric condition. When the Pt was ion-exchanged with ZSM-5, the H-form of ZSM-5 catalyst showed high deNOx activity. The effect of reductant type on deNOx activity exhibited that the olefin system provided more higher activity than octane system. The methane conversion observed in the presence of NO and excess O 2 over alumina supported Pt catalyst. In order to improve the activity and durability, the Co metal ion was added. The result showed that the Co-Pt catalyst gave

  13. Combustion Chemistry of Biodiesel for the Use in Urban Transport Buses: Experiment and Modeling

    Science.gov (United States)

    Omidvarborna, Hamid

    , while root mean square errors (RMSEs) were in acceptable ranges. The ANN study confirmed that ANN can provide an accurate and simple approach in the analysis of complex and multivariate problems, especially for idle engine NOx emissions. Finally, in the last part of the modeling study, a biodiesel surrogate has been proposed and main pathways have been derived to present a simple model for NOx formation in biodiesel combustion via stochastic simulation algorithm (SSA). The main reaction pathways are obtained by simplifying the previously derived skeletal mechanisms, including saturated methyl decenoate (MD), unsaturated methyl 5-decanoate (MD5D), and n-decane (ND). ND is added to match the energy content and the C/H/O ratio of actual biodiesel fuel. The predicted results are in good agreement with a limited number of experimental data at LTC conditions for three different biodiesel fuels consisting of various ratios of unsaturated and saturated methyl esters. The SSA model shows the potential to predict NOx emission concentrations, when the peak combustion temperature increases through the addition of ULSD to biodiesel. The SSA method demonstrates the possibility of reducing the computational complexity in biodiesel emissions modeling. Based on these findings, it can be concluded that both alternative renewable fuels (biodiesel blends) as well as the LTC condition are suitable choices for existing diesel engines to improve the sustainability of fuel and to reduce environmental emissions.

  14. Measurements and Application of Partition Coefficients of Compounds Suitable for Tracing Gas Injected Into Oil Reservoirs Mesures et applications des coefficients de partage de composants utilisables comme gaz traceurs injectés dans des réservoirs de pétrole

    Directory of Open Access Journals (Sweden)

    Dugstad O.

    2006-11-01

    connaissance de ce phénomène est importante pour une interprétation optimale des essais de traceurs réalisés in-situ. Cette ségrégation est quantifiée à l'aide du coefficient de partage. On présente un modèle mono-dimensionnel permettant de prévoir la vitesse d'écoulement du traceur en fonction du coefficient de saturation, du coefficient de partage et de la fraction écoulée lors de l'injection discontinue d'un traceur dans un milieu poreux. On a étudié deux traceurs chimiques, le perfluorométhylcyclopentane (PMCP et le perfluorométhylcyclohexane (PMCH, ainsi qu'un composé radioactif, de l'éthane marqué au 14C. Les deux composés chimiques sont nouveaux comme traceurs appliqués aux réservoirs; la littérature disponible ne fait état d'aucun résultat in-situ qui aurait été obtenu avec ces substances. Les hydrocarbures fluorés sont intéressants comme traceurs potentiels du fait de leur stabilité, y compris dans les conditions caractéristiques des réservoirs, et de leur très faible seuil de détection lorsqu'ils sont analysés par chromatographie en phase gazeuse associée à un détecteur à capture d'électrons. La meilleure sensibilité à la détection est obtenue pour les composés cycliques polyfluorés comportant une ou plusieurs chaînes latérales, ce qui est le cas pour le PMCP et le PLCH. Notre groupe a récemment utilisé avec succès ses deux composés comme traceurs dans un réservoir de la mer du Nord. Le PMCP, le PMCH et l'éthane marqué au 14C ont été étudiés à l'aide d'essais dynamiques. Le milieu poreux utilisé est un tube de 6 m de long, d'un diamètre intérieur, de 0,5 cm rempli de sable d'Ottawa. On rince le tube jusqu'à l'obtention de decane puis on injecte une quantité finie de traceur dans le gaz vecteur, juste à l'amont de l'entrée du tube mince. Les figures 4 et 5 donnent les courbes de réponse types de traceur dans le gaz effluent. Les figures montrent que le traceur de référence, du méthane marqué au

  15. Davis Pond freshwater prediversion biomonitoring study: freshwater fisheries and eagles

    Science.gov (United States)

    Jenkins, Jill A.; Bourgeois, E. Beth; Jeske, Clint W.

    2008-01-01

    between species, site, and age or the interaction among these variables. There was an interaction between fish species and n-decane (an AH) in that mullet and largemouth bass had significantly higher levels than did catfish (P= 0.0175). When general linear means were used to investigate associations of inorganic contaminants among fish species, site, and age or any interactions among these variables, no significant results were noted for arsenic, cadmium, lead, beryllium, boron, molybdenum, or nickel. The range of mercury in fish in this study was 0.04–0.14 μg/g ww (0.14– 0.48 μg/g dry weight [dw]), with the most elevated levels detected in predatory largemouth bass at the sampling point farthest downstream from the structure and within the marsh area. Mercury was positively correlated with fish age (P= 0.0152), where levels were estimated to increase 0.0253 parts per million (ppm) dw per year. In the Mississippi River, catfish showed significantly higher levels of mercury than did mullet or largemouth bass (P= 0.00167). Among fish species, mullet displayed the highest levels in fish of aluminum, barium, manganese, and iron, all considered to have low toxicity in hydrologic systems. An interaction between fish and site was seen with aluminum (P= 0.0031), where concentrations in mullet were significantly higher in the Mississippi River than at the other sites, as was also seen with barium (P= 0.0009), chromium (P= blood cells (WBCs) in whole blood, and condition factor. Few significant differences were noted with any of the biomarkers between sites, and there were no relationships between species and sites. For improved use of biomarker assessments, an increase in fish sample size would be useful for postdiversion sampling, as would comparisons of fish of the same sex and reproductive condition. During the current study, success for eagle nests in the diversion area and reference sites was similar as determined by numbers of nestlings fledged. When temperatures were