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Sample records for nonpolar solvent cyclohexane

  1. Homogeneous solutions of hydrophilic enzymes in nonpolar organic solvents. New systems for fundamental studies and biocatalytic transformations.

    Science.gov (United States)

    Mozhaev, V V; Poltevsky, K G; Slepnev, V I; Badun, G A; Levashov, A V

    1991-11-04

    A typical hydrophilic enzyme, CT, can be dissolved in nonpolar organic solvents (n-octane, cyclohexane and toluene) up to microM concentrations. In the homogeneous solution obtained, the enzyme possesses catalytic activity and enormously high thermostability. It does not lose this activity even after several hours refluxing in octane (126 degrees C) or cyclohexane (81 degrees C).

  2. Structural investigation of diglycerol monolaurate reverse micelles in nonpolar oils cyclohexane and octane

    International Nuclear Information System (INIS)

    Shrestha, Lok Kumar; Aramaki, Kenji

    2009-01-01

    Structure of diglycerol monolaurate (abbreviated as C 12 G 2 ) micelles in nonpolar oils cyclohexane and n-octane as a function of compositions, temperatures, and surfactant chain length has been investigated by small-angle X-ray scattering (SAXS). The SAXS data were evaluated by the generalized indirect Fourier transformation (GIFT) method and real-space structural information of particles was achieved. Conventional poly(oxyethylene) type nonionic surfactants do not form reverse micelles in oils unless a trace water is added. However, present surfactant C 12 G 2 formed reverse micelle (RM) in cyclohexane and n-octane without addition of water at normal room temperature. A clear signature of one dimensional (1-D) micellar growth was found with increasing C 12 G 2 concentration. On the other hand, increasing temperature or hydrocarbon chain length of surfactant shorten the length of RM, which is essentially a cylinder-to-sphere type transition in the aggregate structure. Drastic changes in the structure of RM, namely, transition of ellipsoidal prolate to long rod-like micelles was observed upon changing oil from cyclohexane to octane. All the microstructural transitions were explained in terms of critical packing parameter. (author)

  3. Photophysical properties of coumarin-120: Unusual behavior in nonpolar solvents

    International Nuclear Information System (INIS)

    Pal, Haridas; Nad, Sanjukta; Kumbhakar, Manoj

    2003-01-01

    Photophysical properties of coumarin-120 (C120; 7-amino-4-methyl-1,2-benzopyrone) dye have been investigated in different solvents using steady-state and time-resolved fluorescence and picosecond laser flash photolysis (LFP) and nanosecond pulse radiolysis (PR) techniques. C120 shows unusual photophysical properties in nonpolar solvents compared to those in other solvents of moderate to higher polarities. Where the Stokes shifts (Δν-bar=ν-bar abs -ν-bar fl ), fluorescence quantum yields (Φ f ), and fluorescence lifetimes (τ f ) show more or less linear correlation with the solvent polarity function Δf={(ε-1)/(2ε+1)-(n 2 -1)/(2n 2 +1)}, all these parameters are unusually lower in nonpolar solvents. Unlike in other solvents, both Φ f and τ f in nonpolar solvents are also strongly temperature dependent. It is indicated that the excited singlet (S 1 ) state of C120 undergoes a fast activation-controlled nonradiative deexcitation in nonpolar solvents, which is absent in all other solvents. LFP and PR studies indicate that the intersystem crossing process is negligible for the present dye in all the solvents studied. Photophysical behavior of C120 in nonpolar solvent has been rationalized assuming that in these solvents the dye exists in a nonpolar structure, with its 7-NH 2 group in a pyramidal configuration. In this structure, since the 7-NH 2 group is bonded to the 1,2-benzopyrone moiety by a single bond, the former group can undergo a fast flip-flop motion, which in effect causes the fast nonradiative deexcitation of the dye excited state. In moderate to higher polarity solvents, it is indicated that the dye exists in an intramolecular charge-transfer structure, where the bond between 7-NH 2 group and the 1,2-benzopyrone moiety attains substantial double bond character. In this structure, the flip-flop motion of the 7-NH 2 group is highly restricted and thus there is no fast nonradiative deexcitation process for the excited dye

  4. Tuning of Activated Carbon for Solvent-Free Oxidation of Cyclohexane

    Directory of Open Access Journals (Sweden)

    Mohammad Sadiq

    2017-01-01

    Full Text Available Activated carbon (AC was prepared from carbonization of phosphoric acid soaked peanut shell at 380°C under inert atmosphere followed by activation with hydrogen peroxide. The AC was characterized by SEM, EDX, FTIR, TGA, and BET surface area and pore size analyzer. The potential of AC as a catalyst for solvent-free oxidation of cyclohexane to cyclohexanol and cyclohexanone (the mixture is known as KA oil in the presence of molecular oxygen at moderate temperature was investigated in a self-designed double-walled three-necked batch reactor. The effect of different reaction parameters/additive was optimized. The maximum productivity value (2.14 mmolg−1 h−1, without base, and 4.85 mmolg−1 h−1, with 0.2 mmol NaOH of the desired product was achieved under optimal reaction parameters: vol 12.5 mL, cat 0.4 g, time 14 h, oxygen flow 40 mL/min (pO2 760 Torr, stirring 1100 rpm, and temp 75°C. The AC shows recyclability for multiple runs without any significant loss in activity. Thus, the AC can be an efficient catalyst, due to low cost, ease of synthesis, easy recovery, nonleaching, and recyclability for multiple uses for the solvent-free oxidation of cyclohexane.

  5. Solvent density mode instability in non-polar solutions

    Indian Academy of Sciences (India)

    and excited states of the solute with the compressibility and solvent structure is found to have .... The organization of the rest of the paper is as follows. ...... For the ground state term, as C2 is nearly flat at qσ = q0 = 2π, we can safely ignore.

  6. Dispersing surface-modified imogolite nanotubes in polar and non-polar solvents

    Science.gov (United States)

    Li, Ming; Brant, Jonathan A.

    2018-02-01

    Furthering the development of nanocomposite structures, namely membranes for water treatment applications, requires that methods be developed to ensure nanoparticle dispersion in polar and non-polar solvents, as both are widely used in associated synthesis techniques. Here, we report on a two-step method to graft polyvinylpyrrolidone (PVP), and a one-step method for octadecylphosphonic acid (OPA), onto the outer surfaces of imogolite nanotubes. The goal of these approaches was to improve and maintain nanotube dispersion in polymer compatible polar and non-polar solvents. The PVP coating modified the imogolite surface charge from positive to weakly negative at pH ≤ 9; the OPA made it weakly positive at acidic pH values to negative at pH ≥ 7. The PVP surface coating stabilized the nanotubes through steric hindrance in polar protic, dipolar aprotic, and chloroform. In difference to the PVP, the OPA surface coating allowed the nanotubes to be dispersed in n-hexane and chloroform, but not in the polar solvents. The lack of miscibility in the polar solvents, as well as the better dispersion in n-hexane, was attributed to the stronger hydrophobicity of the OPA polymer relative to the PVP. [Figure not available: see fulltext.

  7. Highly efficient cobalt-doped carbon nitride polymers for solvent-free selective oxidation of cyclohexane

    Directory of Open Access Journals (Sweden)

    Yu Fu

    2017-04-01

    Full Text Available Selective oxidation of saturated hydrocarbons with molecular oxygen has been of great interest in catalysis, and the development of highly efficient catalysts for this process is a crucial challenge. A new kind of heterogeneous catalyst, cobalt-doped carbon nitride polymer (g-C3N4, was harnessed for the selective oxidation of cyclohexane. X-ray diffraction, Fourier transform infrared spectra and high resolution transmission electron microscope revealed that Co species were highly dispersed in g-C3N4 matrix and the characteristic structure of polymeric g-C3N4 can be retained after Co-doping, although Co-doping caused the incomplete polymerization to some extent. Ultraviolet–visible, Raman and X-ray photoelectron spectroscopy further proved the successful Co doping in g-C3N4 matrix as the form of Co(IIN bonds. For the selective oxidation of cyclohexane, Co-doping can markedly promote the catalytic performance of g-C3N4 catalyst due to the synergistic effect of Co species and g-C3N4 hybrid. Furthermore, the content of Co largely affected the activity of Co-doped g-C3N4 catalysts, among which the catalyst with 9.0 wt% Co content exhibited the highest yield (9.0% of cyclohexanone and cyclohexanol, as well as a high stability. Meanwhile, the reaction mechanism over Co-doped g-C3N4 catalysts was elaborated. Keywords: Selective oxidation of cyclohexane, Oxygen oxidant, Carbon nitride, Co-doping

  8. Wetting behavior of nonpolar nanotubes in simple dipolar liquids for varying nanotube diameter and solute-solvent interactions

    Energy Technology Data Exchange (ETDEWEB)

    Rana, Malay Kumar; Chandra, Amalendu, E-mail: amalen@iitk.ac.in [Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208016 (India)

    2015-01-21

    Atomistic simulations of model nonpolar nanotubes in a Stockmayer liquid are carried out for varying nanotube diameter and nanotube-solvent interactions to investigate solvophobic interactions in generic dipolar solvents. We have considered model armchair type single-walled nonpolar nanotubes with increasing radii from (5,5) to (12,12). The interactions between solute and solvent molecules are modeled by the well-known Lennard-Jones and repulsive Weeks-Chandler-Andersen potentials. We have investigated the density profiles and microscopic arrangement of Stockmayer molecules, orientational profiles of their dipole vectors, time dependence of their occupation, and also the translational and rotational motion of solvent molecules in confined environments of the cylindrical nanopores and also in their external peripheral regions. The present results of structural and dynamical properties of Stockmayer molecules inside and near atomistically rough nonpolar surfaces including their wetting and dewetting behavior for varying interactions provide a more generic picture of solvophobic effects experienced by simple dipolar liquids without any specific interactions such as hydrogen bonds.

  9. Potentiometric investigations of (acid+base) equilibria in (n-butylamine+acetic acid) systems in binary (acetone+cyclohexane) solvent mixtures

    International Nuclear Information System (INIS)

    Czaja, MaIgorzata; Kozak, Anna; Makowski, Mariusz; Chmurzynski, Lech

    2005-01-01

    By using the potentiometric titration method, standard equilibrium constants have been determined of acid dissociation of molecular acid, K a (HA), cationic acid, K a (BH + ), of anionic and cationic homoconjugation, K AHA - andK BHB + , respectively, and of molecular heteroconjugation, K AHB (K BHA ), in (acid+base) systems without proton transfer consisting of n-butylamine and acetic acid in binary (acetone+cyclohexane) solvent mixtures. The results have shown that both the pK a (HA) and pK a (BH + ), as well as lgK AHA - values change non-linearly as a function of composition of the solvent mixture. On the other hand, standard molecular heteroconjugation constants without proton transfer do not depend on the cyclohexane content in the mixture, i.e. on solvent polarity

  10. Potentiometric investigations of (acid+base) equilibria in (n-butylamine+acetic acid) systems in binary (acetone+cyclohexane) solvent mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Czaja, MaIgorzata [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Kozak, Anna [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Makowski, Mariusz [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Chmurzynski, Lech [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland)]. E-mail: lech@chem.univ.gda.pl

    2005-08-15

    By using the potentiometric titration method, standard equilibrium constants have been determined of acid dissociation of molecular acid, K{sub a}(HA), cationic acid, K{sub a}(BH{sup +}), of anionic and cationic homoconjugation, K{sub AHA{sup -}}andK{sub BHB{sup +}}, respectively, and of molecular heteroconjugation, K{sub AHB} (K{sub BHA}), in (acid+base) systems without proton transfer consisting of n-butylamine and acetic acid in binary (acetone+cyclohexane) solvent mixtures. The results have shown that both the pK{sub a}(HA) and pK{sub a}(BH{sup +}), as well as lgK{sub AHA{sup -}} values change non-linearly as a function of composition of the solvent mixture. On the other hand, standard molecular heteroconjugation constants without proton transfer do not depend on the cyclohexane content in the mixture, i.e. on solvent polarity.

  11. Nitrobenzene anti-parallel dimer formation in non-polar solvents

    Directory of Open Access Journals (Sweden)

    Toshiyuki Shikata

    2014-06-01

    Full Text Available We investigated the dielectric and depolarized Rayleigh scattering behaviors of nitrobenzene (NO2-Bz, which is a benzene mono-substituted with a planar molecular frame bearing the large electric dipole moment 4.0 D, in non-polar solvents solutions, such as tetrachloromethane and benzene, at up to 3 THz for the dielectric measurements and 8 THz for the scattering experiments at 20 °C. The dielectric relaxation strength of the system was substantially smaller than the proportionality to the concentration in a concentrated regime and showed a Kirkwood correlation factor markedly lower than unity; gK ∼ 0.65. This observation revealed that NO2-Bz has a tendency to form dimers, (NO2-Bz2, in anti-parallel configurations for the dipole moment with increasing concentration of the two solvents. Both the dielectric and scattering data exhibited fast and slow Debye-type relaxation modes with the characteristic time constants ∼7 and ∼50 ps in a concentrated regime (∼15 and ∼30 ps in a dilute regime, respectively. The fast mode was simply attributed to the rotational motion of the (monomeric NO2-Bz. However, the magnitude of the slow mode was proportional to the square of the concentration in the dilute regime; thus, the mode was assigned to the anti-parallel dimer, (NO2-Bz2, dissociation process, and the slow relaxation time was attributed to the anti-parallel dimer lifetime. The concentration dependencies of both the dielectric and scattering data show that the NO2-Bz molecular processes are controlled through a chemical equilibrium between monomers and anti-parallel dimers, 2NO2-Bz ↔ (NO2-Bz2, due to a strong dipole-dipole interaction between nitro groups.

  12. studies dielectric behaviour of some long chain alcohols and their mixtures with a non-polar solvent at various concentration

    International Nuclear Information System (INIS)

    Yaqub, M.; Ahmed, S.S.; Hussain, A.

    2006-01-01

    Dielectric constant, refractive index and the Kirkwood linear correlation factor of 1-propanol, 1-butanol and 1-pentanol in mixtures with carbon tetrachloride at various concentration have been measured at fixed frequency (100 KHz) at 303.15 K. For the study of dielectric properties of polar molecules in a non-polar solvent at different concentrations, polarization per unit volume and excess free-energy of mixing were evaluated at this temperature. In order to study the association of polar molecules in such a non-polar solvent, the Kirkwood correlation factor (g) between molecular pairs, which exists due to the hydrogen bond association suggesting the presence of some dimension in the liquid phase with a number of dimmers, was determined. The refractive index and dielectric constant measurements are expected to shed some light on the configuration of molecules in various mixtures, and give some idea about the specific interactions between components, which decrese with the increase in the concentration of alcohol. All the three mixtures showed different behaviour for the value of correlation factor (g) as a function of concentration. The response of 1-pentanol was broadly identical to that of small chain alcohols. The different behaviour of the correlation factor (g) was interpreted in terms of the Kirkwood-Frohlich theory, as it takes into account, explicitly, such type of short and long range interactions of a mixture of polar molecules with non-polar solvents. (author)

  13. ``Living polymers'' in organic solvents : stress relaxation in bicopper tetracarboxylate/tert-butyl cyclohexane solutions

    Science.gov (United States)

    Terech, P.; Maldivi, P.; Dammer, C.

    1994-10-01

    Viscoelastic solutions of a bicopper tetracarboxylate complex in tert-butylcyclohexane have been studied by dynamic rheology in a wide range of concentrations (0.5-1.5 % volume fraction). The zero shear viscosity, the elastic modulus, the terminal stress relaxation time and the height of the high-frequency dip, in a Cole-Cole representation of the complex elastic modulus, follow scaling laws. The related exponents are discussed in the context of the physics of “living polymers” : a term used to describe worm-like species undergoing scission/recombination reactions competing mainly with the reptation motions of the chains. The current system, made up of molecular threads (17.5 Å diameter) of Cu2(O2C-CH(C2H5)C4H9)4 in the apolar solvent, is representative of a “living polymer” where, instead of mechanisms involving transient star polymeric crosslinks, a reversible scission mechanism prevails. The dynamics in the high-frequency range evolves from a regime where reptation is the dominant relaxation mechanism to a cross-over regime where “breathing” fluctuations and Rouse motions become important. Large modifications of the stress relaxation function occur for more concentrated systems. The binary system is the first example of a “living polymer” in an organic solvent and exhibits elastic moduli (G ≈ ca. 120 Pa à φ = 1 %) which are at least 20 times larger than those found for the aqueous “living polymer” systems. Les solutions viscoélastiques d'un tétracarboxylate binucléaire de cuivre dans le tert-butylcyclohexane sont étudiées par rhéologie en mode dynamique dans une gamme étendue de concentrations (0,5 %-15,5 %). La viscosité à gradient nul, le module élastique, le temps terminal de relaxation et la hauteur du puits à haute fréquence, dans une représentation Cole-Cole du module élastique complexe, suivent des lois d'échelles. Les exposants correspondants sont discutés dans le contexte de la physique des “polymères vivants

  14. Direct Detection of the Ion Pair to Free Ions Transformation upon Complexation with an Ion Receptor in Non-Polar Solvents by using Conductometry.

    Science.gov (United States)

    Iseda, Kazuya; Kokado, Kenta; Sada, Kazuki

    2018-03-01

    In this study, we performed conductometry in various organic solvents to directly detect the transformation from tetrabutylammonium chloride ( TBACl ) ion-pair salt to the free ions through complexation with meso -octamethylcalix[4]pyrrole ( CP ), which is a well-known receptor for chloride anions. In the presence of CP , the conductivity of TBACl increases in various non-polar solvents, indicating that complexation with CP enhances the ionic dissociation of TBACl in such non-polar solvents. In other words, CP recognizes chloride as an ion-paired salt as well as a free anion in non-polar solvents. Additionally, the TBA(CP - Cl ) complex exhibited a considerably lower ion-pairing constant ( K ip ) than TBACl in non-polar solvents, resulting in enhanced conductivity. Based on these findings, we can conclude that complexation of an anion with a hydrophobic anion receptor will be useful for creating functional and stimuli-responsive soft materials in organic solvents using coulombic forces.

  15. Determination of basicity of neutral organic phosphorus extractants in nonpolar solvents by the 31P NMR method

    International Nuclear Information System (INIS)

    Yakshin, V.V.; Meshcheryakov, N.M.; Il'in, E.G.; Ignatov, M.E.; Laskorin, B.N.

    1984-01-01

    The variant of the NMR method application is developed for quantitative description of acidic-basic properties of neutral organic phosphorus extractants, R 3 P--O (NPE), in non-polar organic solvents. For the NPE basicity determination the dependence of the chemical shift value in NMR 31 P spectra of 0.1 M NPE solutions in the dodecane on sulfuric acid acitivity in aqueous phase at 0-12 M acidity is studied. The linear equation relating NPE basicity and electronic structure of these compounds expressed through the sum: of Kabachnik reaction constants is derived. Linear dependences between the NPE basicity value in dodecane and NPE basicity in nitromethane as well as enthalpies of complexes formation with charge transport with standard acid-iodine in heptane, enthalpies of hydrogen complexes formation with phenol and water have been found

  16. Microwave-assisted extraction and accelerated solvent extraction with ethyl acetate-cyclohexane before determination of organochlorines in fish tissue by gas chromatography with electron-capture detection.

    Science.gov (United States)

    Weichbrodt, M; Vetter, W; Luckas, B

    2000-01-01

    Focused open-vessel microwave-assisted extraction (FOV-MAE), closed-vessel microwave-assisted extraction (CV-MAE), and accelerated solvent extraction (ASE) were used for extraction before determination of organochlorine compounds (polychlorinated biphenyls, DDT, toxaphene, chlordane, hexachlorobenzene, hexachlorocyclohexanes, and dieldrin) in cod liver and fish fillets. Wet samples were extracted without the time-consuming step of lyophilization or other sample-drying procedures. Extractions were performed with the solvent mixture ethyl acetate-cyclohexane (1 + 1, v/v), which allowed direct use of gel-permeation chromatography without solvent exchange. For FOV-MAE, the solvent mixture removed water from the sample matrix via azeotropic distillation. The status of water removal was controlled during extraction by measuring the temperature of the distillate. After water removal, the temperature of the distillate increased and the solvent mixture became less polar. Only the pure extraction solvent allowed quantitative extraction of the organochlorine compounds. For CV-MAE, water could not be separated during the extraction. For this reason, the extraction procedure for wet fish tissue required 2 extraction steps: the first for manual removal of coextracted water, and the second for quantitative extraction of the organochlorine compounds with the pure solvent. Therefore, CV-MAE is less convenient for samples with high water content. For ASE, water in the sample was bound with Na2SO4. The reproducibility for each technique was very good (relative standard deviation was typically <10%); the slightly varying levels were attributed to deviations during sample cleanup and the generally low levels.

  17. An absorbing microwave micro-solid-phase extraction device used in non-polar solvent microwave-assisted extraction for the determination of organophosphorus pesticides

    International Nuclear Information System (INIS)

    Wang Ziming; Zhao Xin; Xu Xu; Wu Lijie; Su Rui; Zhao Yajing; Jiang Chengfei; Zhang Hanqi; Ma Qiang; Lu Chunmei; Dong Deming

    2013-01-01

    Highlights: ► An absorbing microwave μ-SPE device packed with activated carbon was used. ► Absorbing microwave μ-SPE device was made and used to enrich the analytes. ► Absorbing microwave μ-SPE device was made and used to heat samples directly. ► MAE-μ-SPE was applied to the extraction of OPPs with non-polar solvent only. - Abstract: A single-step extraction-cleanup method, including microwave-assisted extraction (MAE) and micro-solid-phase extraction (μ-SPE), was developed for the extraction of ten organophosphorus pesticides in vegetable and fruit samples. Without adding any polar solvent, only one kind of non-polar solvent (hexane) was used as extraction solvent in the whole extraction step. Absorbing microwave μ-SPE device, was prepared by packing activated carbon with microporous polypropylene membrane envelope, and used as not only the sorbent in μ-SPE, but also the microwave absorption medium. Some experimental parameters effecting on extraction efficiency was investigated and optimized. 1.0 g of sample, 8 mL of hexane and three absorbing microwave μ-SPE devices were added in the microwave extraction vessel, the extraction was carried out under 400 W irradiation power at 60 °C for 10 min. The extracts obtained by MAE-μ-SPE were directly analyzed by GC–MS without any clean-up process. The recoveries were in the range of 93.5–104.6%, and the relative standard deviations were lower than 8.7%.

  18. An absorbing microwave micro-solid-phase extraction device used in non-polar solvent microwave-assisted extraction for the determination of organophosphorus pesticides

    Energy Technology Data Exchange (ETDEWEB)

    Wang Ziming, E-mail: wangziming@jlu.edu.cn [College of Chemistry, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); College of Environment and Resources, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Zhao Xin; Xu Xu; Wu Lijie; Su Rui; Zhao Yajing; Jiang Chengfei; Zhang Hanqi [College of Chemistry, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Ma Qiang [Chinese Academy of Inspection and Quarantine, Beijing 100123 (China); Lu Chunmei [College of Technology Center, Jilin Entry-Exit Inspection and Quarantine Bureau, Changchun 130062 (China); Dong Deming [College of Environment and Resources, Jilin University, 2699 Qianjin Street, Changchun 130012 (China)

    2013-01-14

    Highlights: Black-Right-Pointing-Pointer An absorbing microwave {mu}-SPE device packed with activated carbon was used. Black-Right-Pointing-Pointer Absorbing microwave {mu}-SPE device was made and used to enrich the analytes. Black-Right-Pointing-Pointer Absorbing microwave {mu}-SPE device was made and used to heat samples directly. Black-Right-Pointing-Pointer MAE-{mu}-SPE was applied to the extraction of OPPs with non-polar solvent only. - Abstract: A single-step extraction-cleanup method, including microwave-assisted extraction (MAE) and micro-solid-phase extraction ({mu}-SPE), was developed for the extraction of ten organophosphorus pesticides in vegetable and fruit samples. Without adding any polar solvent, only one kind of non-polar solvent (hexane) was used as extraction solvent in the whole extraction step. Absorbing microwave {mu}-SPE device, was prepared by packing activated carbon with microporous polypropylene membrane envelope, and used as not only the sorbent in {mu}-SPE, but also the microwave absorption medium. Some experimental parameters effecting on extraction efficiency was investigated and optimized. 1.0 g of sample, 8 mL of hexane and three absorbing microwave {mu}-SPE devices were added in the microwave extraction vessel, the extraction was carried out under 400 W irradiation power at 60 Degree-Sign C for 10 min. The extracts obtained by MAE-{mu}-SPE were directly analyzed by GC-MS without any clean-up process. The recoveries were in the range of 93.5-104.6%, and the relative standard deviations were lower than 8.7%.

  19. Preferential solvation of fluorenone and 4-hydroxyfluorenone in binary solvent mixtures

    International Nuclear Information System (INIS)

    Jozefowicz, Marek; Heldt, Janina R.

    2003-01-01

    Preferential solvation of fluorenone and 4-hydroxyfluorenone in binary solvent mixtures has been studied using steady-state spectroscopic measurements. This study concerns the solvent-induced shift of the absorption and fluorescence spectra of both molecules in two solvent mixtures, i.e., cyclohexane-tetrahydrofuran and cyclohexane-ethanol. The first system contains polar solute molecules, fluorenone and 4-hydroxyfluorenone, in a mixture of polar aprotic (tetrahydrofuran) and non-polar (cyclohexane) solvents. In the second solvents mixture, hydrogen bonding with solute molecules (ethanol) may occur. The results of spectroscopic measurements are analysed using theoretical models of Bakshiev, Mazurenko and Suppan which describe preferential solvation phenomena. In the case of cyclohexane-tetrahydrofuran mixtures, the deviation from linearity in the absorption and fluorescence solvatochromic shifts vs. the solution polarity is due to non-specific dipolar solvent-solute interactions. For cyclohexane-ethanol binary mixtures, both non-specific and specific (hydrogen bond and proton-relay tautomerization) interactions contribute to the observed solvatochromism

  20. An absorbing microwave micro-solid-phase extraction device used in non-polar solvent microwave-assisted extraction for the determination of organophosphorus pesticides.

    Science.gov (United States)

    Wang, Ziming; Zhao, Xin; Xu, Xu; Wu, Lijie; Su, Rui; Zhao, Yajing; Jiang, Chengfei; Zhang, Hanqi; Ma, Qiang; Lu, Chunmei; Dong, Deming

    2013-01-14

    A single-step extraction-cleanup method, including microwave-assisted extraction (MAE) and micro-solid-phase extraction (μ-SPE), was developed for the extraction of ten organophosphorus pesticides in vegetable and fruit samples. Without adding any polar solvent, only one kind of non-polar solvent (hexane) was used as extraction solvent in the whole extraction step. Absorbing microwave μ-SPE device, was prepared by packing activated carbon with microporous polypropylene membrane envelope, and used as not only the sorbent in μ-SPE, but also the microwave absorption medium. Some experimental parameters effecting on extraction efficiency was investigated and optimized. 1.0 g of sample, 8 mL of hexane and three absorbing microwave μ-SPE devices were added in the microwave extraction vessel, the extraction was carried out under 400 W irradiation power at 60°C for 10 min. The extracts obtained by MAE-μ-SPE were directly analyzed by GC-MS without any clean-up process. The recoveries were in the range of 93.5-104.6%, and the relative standard deviations were lower than 8.7%. Copyright © 2012 Elsevier B.V. All rights reserved.

  1. In silico study of amphiphilic nanotubes based on cyclic peptides in polar and non-polar solvent

    DEFF Research Database (Denmark)

    Vijayakumar, Vinodhkumar; Vijayaraj, Ramadoss; Peters, Günther H.J.

    2016-01-01

    The stability of cyclic peptide assemblies (CPs) forming a macromolecular nanotube structure was investigated in solvents of different polarity using computational methods. The stability and structure of the complexes were studied using traditional molecular dynamics (MD). Energy of dissociation ...

  2. Benzene and cyclohexane separation using 1-butyl-3-methylimidazolium thiocyanate

    Science.gov (United States)

    Gonfa, Girma; Ismail, Marhaina; Bustam, Mohamad Azmi

    2017-09-01

    Cyclohexane is mainly produced by catalytic hydrogenation of benzene. Removal of unreacted benzene from the product stream is very important in this process. However, due to their close boiling points and azeotrope formation, it is very difficult to separate cyclohexane and benzene by conventional distillation. Currently, special separation processes such as processes extractive distillation is commercially used for this separation. However, this extractive distillation suffers from process complexity and higher energy consumption due to their low extractive selectivity of molecular entrainers used. The aim of the present work is to investigate the applicability of ionic liquids as entrainer in extractive distillation of benzene and cyclohexane mixture. In this study, we investigated 1-butyl-3-methylimidazolium thiocyanate ([BMIM][SCN]) ionic liquid for separation of benzene and cyclohexane by measuring the Vapor Liquid Equilibrium data of the two components in the presence of the ionic liquid. As green and potential environmentally friendly solvents, ionic liquids have attracted increasing attention as alternative conventional entrainers in extractive distillation. Isothermal Vapor Liquid Equilibrium for the benzene + cyclohexane + [BMIM][SCN] ternary system was obtained at 353.15 K using a Head Space Gas Chromatography. The addition of [BMIM][SCN] breaks the benzene-cyclohexane azeotrope and increased the relative volatility cyclohexane to benzene in the mixture. The effect of [BMIM][SCN] on the relative volatility cyclohexane to benzene was studied at various benzene and cyclohexane compositions and solvent to feed ratios. The performance of [BMIM][SCN] was compared with typical conventional solvents, dimethylformamide (DMF) and dimethylsulfoxide (DMSO). The results show that the relative volatility of cyclohexane to benzene in the presence of [BMIM][SCN] is higher compared that of DMSO and DMF.

  3. Solvent Extraction and Characterization of Neutral Lipids in Oocystis sp

    Energy Technology Data Exchange (ETDEWEB)

    Anthony, Renil [Department of Mechanical Engineering, Ohio University, Athens, OH (United States); Stuart, Ben, E-mail: stuart@ohio.edu [Department of Civil Engineering, Ohio University, Athens, OH (United States)

    2015-01-20

    Microalgae are a favorable feedstock for bioproducts and biofuels due to their high oil content, fast growth rates, and low resource demands. Solvent lipid extraction efficiency from microalgae is dependent on algal strain and the extraction solvent. Four non-polar extraction solvents were evaluated for the recovery of neutral cellular lipids from microalgae Oocystis sp. (University of Texas at Austin LB2396). Methylene chloride, hexane, diethyl ether, and cyclohexane were selected as the extraction solvents. The lipid extracts were derivatized and analyzed using gas chromatography–mass spectroscopy. All solvent extracts contained hexadecanoic acid, linoleic acid, and linolenic acid; accounting for 70% of total lipid content with a proportional wt% composition of the three fatty acids, except for the hexane extracts that showed only hexadecanoic acid and linoleic acid. While not statistically differentiated, methylene chloride proved to be the most effective solvent for Oocystis sp. among the four solvents tested with a total average neutral lipid recovery of 0.25% of dry weight followed by diethyl ether (0.18%), cyclohexane (0.14%), and hexane (0.11%). This research presents a simple methodology to optimize the selection of lipid specific extraction solvents for the microalgal strain selected.

  4. Solvent Extraction and Characterization of Neutral Lipids in Oocystis sp.

    Directory of Open Access Journals (Sweden)

    Renil eAnthony

    2015-01-01

    Full Text Available Microalgae are a favorable feedstock for bioproducts and biofuels due to their high oil content, fast growth rates and low resource demands. Solvent lipid extraction efficiency from microalgae is dependent on algal strain and the extraction solvent. Four non-polar extraction solvents were evaluated for the recovery of neutral cellular lipids from microalgae Oocystis sp. (UTEX LB2396. Methylene chloride, hexane, diethyl ether, and cyclohexane were selected as the extraction solvents. All solvent extracts contained hexadecanoic acid, linoleic acid and linolenic acid; accounting for 70% of total lipid content with a proportional wt% composition of the three fatty acids, except for the hexane extracts that showed only hexadecanoic acid and linoleic acid. While not statistically differentiated, methylene chloride proved to be the most effective solvent for Oocystis sp. among the four solvents tested with a total average neutral lipid recovery of 0.25% of dry weight followed by diethyl ether (0.18%, cyclohexane (0.14% and hexane (0.11%. This research presents a simple methodology to optimize the selection of lipid specific extraction solvents for the microalgal strain selected.

  5. Solvent Extraction and Characterization of Neutral Lipids in Oocystis sp

    International Nuclear Information System (INIS)

    Anthony, Renil; Stuart, Ben

    2015-01-01

    Microalgae are a favorable feedstock for bioproducts and biofuels due to their high oil content, fast growth rates, and low resource demands. Solvent lipid extraction efficiency from microalgae is dependent on algal strain and the extraction solvent. Four non-polar extraction solvents were evaluated for the recovery of neutral cellular lipids from microalgae Oocystis sp. (University of Texas at Austin LB2396). Methylene chloride, hexane, diethyl ether, and cyclohexane were selected as the extraction solvents. The lipid extracts were derivatized and analyzed using gas chromatography–mass spectroscopy. All solvent extracts contained hexadecanoic acid, linoleic acid, and linolenic acid; accounting for 70% of total lipid content with a proportional wt% composition of the three fatty acids, except for the hexane extracts that showed only hexadecanoic acid and linoleic acid. While not statistically differentiated, methylene chloride proved to be the most effective solvent for Oocystis sp. among the four solvents tested with a total average neutral lipid recovery of 0.25% of dry weight followed by diethyl ether (0.18%), cyclohexane (0.14%), and hexane (0.11%). This research presents a simple methodology to optimize the selection of lipid specific extraction solvents for the microalgal strain selected.

  6. Microsolvation of the acetanilide cation (AA(+)) in a nonpolar solvent: IR spectra of AA(+)-L(n) clusters (L = He, Ar, N2; n ≤ 10).

    Science.gov (United States)

    Schmies, Matthias; Patzer, Alexander; Schütz, Markus; Miyazaki, Mitsuhiko; Fujii, Masaaki; Dopfer, Otto

    2014-05-07

    Infrared photodissociation (IRPD) spectra of mass-selected cluster ions of acetanilide (N-phenylacetamide), AA(+)-Ln, with the ligands L = He (n = 1-2), Ar (n = 1-7), and N2 (n = 1-10) are recorded in the hydride stretch (amide A, νNH, νCH) and fingerprint (amide I-III) ranges of AA(+) in its (2)A'' ground electronic state. Cold AA(+)-Ln clusters are generated in an electron impact ion source, which predominantly produces the most stable isomer of a given cluster ion. Systematic vibrational frequency shifts of the N-H stretch fundamentals (νNH) provide detailed information about the sequential microsolvation process of AA(+) in a nonpolar (L = He and Ar) and quadrupolar (L = N2) solvent. In the most stable AA(+)-Ln clusters, the first ligand forms a hydrogen bond (H-bond) with the N-H proton of trans-AA(+) (t-AA(+)), whereas further ligands bind weakly to the aromatic ring (π-stacking). There is no experimental evidence for complexes with the less stable cis-AA(+) isomer. Quantum chemical calculations at the M06-2X/aug-cc-pVTZ level confirm the cluster growth sequence derived from the IR spectra. The calculated binding energies of De(H) = 720 and 1227 cm(-1) for H-bonded and De(π) = 585 and 715 cm(-1) for π-bonded Ar and N2 ligands in t-AA(+)-L are consistent with the observed photofragmentation branching ratios of AA(+)-Ln. Comparison between charged and neutral AA((+))-L dimers indicates that ionization switches the preferred ion-ligand binding motif from π-stacking to H-bonding. Electron removal from the HOMO of AA(+) delocalized over both the aromatic ring and the amide group significantly strengthens the C[double bond, length as m-dash]O bond and weakens the N-H bond of the amide group.

  7. Bis{μ-cis-1,3-bis[(di-tert-butylphosphanyloxy]cyclohexane-κ2P:P′}bis[carbonylnickel(0] including an unknown solvent molecule

    Directory of Open Access Journals (Sweden)

    Klara J. Jonasson

    2014-05-01

    Full Text Available The title compound, [Ni2(C22H46P2O22(CO2], is located about a centre of inversion with the Ni0 atom within a distorted trigonal–planar geometry. The cyclohexyl rings are in the usual chair conformation with the 1,3-cis substituents equatorially oriented. No specific intermolecular interactions are noted in the crystal packing. A region of disordered electron density, most probably a disordered deuterobenzene solvent molecule, was treated using the SQUEEZE routine in PLATON [Spek (2009. Acta Cryst. D65, 148–155]. Its formula mass and unit-cell characteristics were not taken into account during refinement.

  8. A combined interfacial and in-situ polymerization strategy to construct well-defined core-shell epoxy-containing SiO2-based microcapsules with high encapsulation loading, super thermal stability and nonpolar solvent tolerance

    Directory of Open Access Journals (Sweden)

    Yin Jia

    2016-10-01

    Full Text Available SiO2-based microcapsules containing hydrophobic molecules exhibited potential applications such as extrinsic self-healing, drug delivery, due to outstanding thermal and chemical stability of SiO2. However, to construct SiO2-based microcapsules with both high encapsulation loading and long-term structural stability is still a troublesome issue, limiting their further utilization. We herein design a single-batch route, a combined interfacial and in-situ polymerization strategy, to fabricate epoxy-containing SiO2-based microcapsules with both high encapsulation loading and long-term structural stability. The final SiO2-based microcapsules preserve high encapsulation loading of 85.7 wt% by controlling exclusively hydrolysis and condensed polymerization at oil/water interface in the initial interfacial polymerization step. In the subsequent in-situ polymerization step, the initial SiO2-based microcapsules as seeds could efficiently harvest SiO2 precursors and primary SiO2 particles to finely tune the SiO2 wall thickness, thereby enhancing long-term structural stability of the final SiO2-based microcapsules including high thermal stability with almost no any weight loss until 250°C, and strong tolerance against nonpolar solvents such as CCl4 with almost unchanged core-shell structure and unchanged core weight after immersing into strong solvents for up to 5 days. These SiO2-based microcapsules are extremely suited for processing them into anticorrosive coating in the presence of nonpolar solvents for self-healing application.

  9. Cyclohexane, a potential drug of abuse with pernicious effects for the brain

    Directory of Open Access Journals (Sweden)

    Oscar eGonzalez-Perez

    2016-01-01

    Full Text Available Cyclohexane is a volatile solvent used as a harmless substitute for dangerous organic solvents in several products, such as paint thinners, gasoline and adhesives. Many of these products are used as drugs of abuse and can severely damage neural tissue and impair neurological functions. However, there is very little information on the effects of cyclohexane on the brain. In humans, cyclohexane produces headaches, sleepiness, dizziness, limb weakness, motor changes and verbal memory impairment. Recent studies in mice have demonstrated behavioral alterations, reactive gliosis, microglial reactivity and oxidative stress in the brains of cyclohexane-exposed animals. This indicates that cyclohexane may represent a potential problem for public health. Therefore, studies are needed to clarify the neurobiological effects of this volatile compound, including the cellular and molecular mechanisms of neurotoxicity, and to minimize the human health risk posed by the intentional or accidental inhalation of this potential drug of abuse.

  10. Solvent Stability Study with Thermodynamic Analysis and Superior Biocatalytic Activity of Burkholderia cepacia Lipase Immobilized on Biocompatible Hybrid Matrix of Poly(vinyl alcohol) and Hypromellose.

    Science.gov (United States)

    Badgujar, Kirtikumar C; Bhanage, Bhalchandra M

    2014-12-26

    In the present study, we have synthesized a biocompatible hybrid carrier of hypromellose (HY) and poly(vinyl alcohol) (PVA) for immobilization of Burkholderia cepacia lipase (BCL). The immobilized biocatalyst HY:PVA:BCL was subjected to determination of half-life time (τ) and deactivation rate constant (K(D)) in various organic solvents. Biocatalyst showed higher τ-value in a nonpolar solvent like cyclohexane (822 h) as compared to that of a polar solvent such as acetone (347 h), which signifies better compatibility of biocatalyst in the nonpolar solvents. Furthermore, the K(D)-value was found to be less in cyclohexane (0.843 × 10(-3)) as compared to acetone (1.997 × 10(-3)), indicating better stability in the nonpolar solvents. Immobilized-BCL (35 mg) was sufficient to achieve 99% conversion of phenethyl butyrate (natural constituent of essential oils and has wide industrial applications) using phenethyl alcohol (2 mmol) and vinyl butyrate (6 mmol) at 44 °C in 3 h. The activation energy (E(a)) was found to be lower for immobilized-BCL than crude-BCL, indicating better catalytic efficiency of immobilized lipase BCL. The immobilized-BCL reported 6-fold superior biocatalytic activity and 8 times recyclability as compared to crude-BCL. Improved catalytic activity of immobilized enzyme in nonpolar media was also supported by thermodynamic activation parameters such as enthalpy (ΔH(⧧)), entropy (ΔS(⧧)) and Gibb's free energy (ΔG(⧧)) study, which showed that phenethyl butyrate synthesis catalyzed by immobilized-BCL was feasible as compared to crude-BCL. The present work explains a thermodynamic investigation and superior biocatalytic activity for phenethyl butyrate synthesis using biocompatible immobilized HY:PVA:BCL in nonaqueous media for the first time.

  11. New biphasic solvent system based on cyclopentyl methyl ether for the purification of a non-polar synthetic peptide by pH-zone refining centrifugal partition chromatography.

    Science.gov (United States)

    Amarouche, Nassima; Boudesocque, Leslie; Borie, Nicolas; Giraud, Matthieu; Forni, Luciano; Butte, Alessandro; Edwards, Florence; Renault, Jean-Hugues

    2014-06-01

    A new type 1 ternary biphasic system composed of cyclopentyl methyl ether, dimethylformamide and water was developed, characterized and successfully used for the purification of a lipophilic, protected peptide by pH-zone refining centrifugal partition chromatography. The protected peptide is an 8-mer, key intermediate in bivalirudin (Angiomax®) synthesis and shows a very low solubility in the solvents usually used in liquid chromatography. All ionic groups, except the N-terminal end of the peptide, are protected by a benzyl group. The purification of this peptide was achieved with a purity of about 99.04% and a recovery of 94% using the new ternary biphasic system cyclopentyl methyl ether/dimethylformamide/water (49:40:11, v/v) in the descending pH-zone refining mode with triethylamine (28 mM) as the retainer and methanesulfonic acid (18 mM) as the eluter. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Colloidosomes formed by nonpolar/polar/nonpolar nanoball amphiphiles

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Hung-Yu; Sheng, Yu-Jane, E-mail: yjsheng@ntu.edu.tw, E-mail: hktsao@cc.ncu.edu.tw [Department of Chemical Engineering, National Taiwan University, Taipei 106, Taiwan (China); Tu, Sheng-Hung [Department of Chemical and Materials Engineering, National Central University, Jhongli 320, Taiwan (China); Tsao, Heng-Kwong, E-mail: yjsheng@ntu.edu.tw, E-mail: hktsao@cc.ncu.edu.tw [Department of Chemical and Materials Engineering and Department of Physics, National Central University, Jhongli 320, Taiwan (China)

    2014-08-07

    Fullerene-based amphiphiles are able to form bilayer vesicles in aqueous solution. In this study, the self-assembly behavior of polymer-tethered nanoballs (NBs) with nonpolar/polar/nonpolar (n-p-n{sup ′}) motif in a selective solvent is investigated by dissipative particle dynamics. A model NB bears two hydrophobic polymeric arms (n{sup ′}-part) tethered on an extremely hydrophobic NB (n-part) with hydrophilic patch (p-part) patterned on its surface. Dependent on the hydrophobicity and length of tethered arms, three types of aggregates are exhibited, including NB vesicle, core-shell micelle, and segmented-worm. NB vesicles are developed for a wide range of hydrophobic arm lengths. The presence of tethered arms perturbs the bilayer structure formed by NBs. The structural properties including the order parameter, membrane thickness, and area density of the inner leaflet decrease with increasing the arm length. These results indicate that for NBs with longer arms, the extent of interdigitation in the membrane rises so that the overcrowded arms in the inner corona are relaxed. The transport and mechanical properties are evaluated as well. As the arm length grows, the permeability increases significantly because the steric bulk of tethered arms loosens the packing of NBs. By contrast, the membrane tension decreases owing to the reduction of NB/solvent contacts by the polymer corona. Although fusion can reduce membrane tension, NB vesicles show strong resistance to fusion. Moreover, the size-dependent behavior observed in small liposomes is not significant for NB vesicles due to isotropic geometry of NB. Our simulation results are consistent with the experimental findings.

  13. Experimental study and thermodynamic modeling for determining the effect of non-polar solvent (hexane)/polar solvent (methanol) ratio and moisture content on the lipid extraction efficiency from Chlorella vulgaris.

    Science.gov (United States)

    Malekzadeh, Mohammad; Abedini Najafabadi, Hamed; Hakim, Maziar; Feilizadeh, Mehrzad; Vossoughi, Manouchehr; Rashtchian, Davood

    2016-02-01

    In this research, organic solvent composed of hexane and methanol was used for lipid extraction from dry and wet biomass of Chlorella vulgaris. The results indicated that lipid and fatty acid extraction yield was decreased by increasing the moisture content of biomass. However, the maximum extraction efficiency was attained by applying equivolume mixture of hexane and methanol for both dry and wet biomass. Thermodynamic modeling was employed to estimate the effect of hexane/methanol ratio and moisture content on fatty acid extraction yield. Hansen solubility parameter was used in adjusting the interaction parameters of the model, which led to decrease the number of tuning parameters from 6 to 2. The results indicated that the model can accurately estimate the fatty acid recovery with average absolute deviation percentage (AAD%) of 13.90% and 15.00% for the two cases of using 6 and 2 adjustable parameters, respectively. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. Solute-solvent interactions in chloroform solutions of halogenated symmetric double Schiff bases of 1,1'-bis(4-aminophenyl)cyclohexane at 308.15 K according to ultrasonic and viscosity data

    Science.gov (United States)

    Gangani, B. J.; Patel, J. P.; Parsania, P. H.

    2015-12-01

    The density, viscosity and ultrasonic speed (2 MHz) of chloroform solutions of halogenated symmetric double Schiff bases of 1,1'-bis(4-aminophenyl)cyclohexane were investigated at 308.15 K. Various acoustical parameters such as specific acoustical impedance ( Z), adiabatic compressibility ( Ka), Rao's molar sound function ( R m), van der Waals constant ( b), internal pressure (π), free volume ( V f), intermolecular free path length ( L f), classical absorption coefficient (α/ f 2)Cl) and viscous relaxation time (τ) were determine using ultrasonic speed ( U), viscosity (η) and density (ρ) data of Schiff bases solutions and correlated with concentration. Linear increase of Z, b, R, τ, and (α/ f 2)Cl except π (nonlinear) and linear decrease of Ka and L f except V f (nonlinear) with increasing concentration of Schiff bases suggested presence of strong molecular interactions in the solutions. The positive values of solvation number further supported strong molecular interactions in the solutions. The nature and position of halogen substituent also affected the strength of molecular interactions.

  15. Extraction of benzene and cyclohexane using [BMIM][N(CN)2] and their equilibrium modeling

    Science.gov (United States)

    Ismail, Marhaina; Bustam, M. Azmi; Man, Zakaria

    2017-12-01

    The separation of aromatic compound from aliphatic mixture is one of the essential industrial processes for an economically green process. In order to determine the separation efficiency of ionic liquid (IL) as a solvent in the separation, the ternary diagram of liquid-liquid extraction (LLE) 1-butyl-3-methylimidazolium dicyanamide [BMIM][N(CN)2] with benzene and cyclohexane was studied at T=298.15 K and atmospheric pressure. The solute distribution coefficient and solvent selectivity derived from the equilibrium data were used to evaluate if the selected ionic liquid can be considered as potential solvent for the separation of benzene from cyclohexane. The experimental tie line data was correlated using non-random two liquid model (NRTL) and Margules model. It was found that the solute distribution coefficient is (0.4430-0.0776) and selectivity of [BMIM][N(CN)2] for benzene is (53.6-13.9). The ternary diagram showed that the selected IL can perform the separation of benzene and cyclohexane as it has extractive capacity and selectivity. Therefore, [BMIM][N(CN)2] can be considered as a potential extracting solvent for the LLE of benzene and cyclohexane.

  16. (Liquid + liquid) equilibria for benzene + cyclohexane + N,N-dimethylformamide + sodium thiocyanate

    International Nuclear Information System (INIS)

    Dong, Hongxing; Yang, Xiaoguang; Yue, Guojun; Zhang, Wei; Zhang, Jin

    2013-01-01

    Graphical abstract: On the left, the figure was phase diagram about the LLE date. On the right, the figure was about the effects of mass fraction of benzene in the raffinate phase to the selectivity(S) coefficient under different salt concentration. ■, the NaSCN and DMF in ratio of 5/95; • , the NaSCN and DMF in ratio of 10/90; ▴, the NaSCN and DMF in ratio of 15/85; ★, the NaSCN and DMF in ratio of 20/80; ▾, the NaSCN and DMF in ratio of 23/77. ♦, only DMF was used extractant (the selectivity coefficient was calculated by literature 17). w 22 , refer to the mass fraction of benzene in the raffinate phase (cyclohexane-rich phase). Highlights: • (Liquid + liquid) equilibrium for quaternary system was measured. • The components include benzene, cyclohexane, N,N-dimethylformamide, sodium thiocyanate. • The (liquid + liquid) equilibrium data can be well correlated by the NRTL model. • Separation of benzene and cyclohexane by NaSCN + DMF was discussed. -- Abstract: (Liquid + liquid) equilibrium (LLE) data for benzene + cyclohexane + N,N-dimethylformamide (DMF) + sodium thiocyanate (NaSCN) were measured experimentally at atmospheric pressure and 303.15 K. The selectivity coefficients from these LLE data were calculated and compared to those previously reported in the literature for the systems (benzene + cyclohexane + DMF) and (benzene + cyclohexane + DMF + KSCN). The NRTL equation was used to correlate the experimental data. The agreement between the predicted and experimental results was good. It was found that the selectivity coefficients of DMF + NaSCN for benzene ranged from 2.45 to 11.99. Considering the relatively high extraction capacity and selectivity for benzene, DMF + NaSCN may be used as a potential extracting solvent for the separation of benzene from cyclohexane

  17. A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum-classical approximation. II. Proton transfer reaction in non-polar solvent

    Science.gov (United States)

    Kojima, H.; Yamada, A.; Okazaki, S.

    2015-05-01

    The intramolecular proton transfer reaction of malonaldehyde in neon solvent has been investigated by mixed quantum-classical molecular dynamics (QCMD) calculations and fully classical molecular dynamics (FCMD) calculations. Comparing these calculated results with those for malonaldehyde in water reported in Part I [A. Yamada, H. Kojima, and S. Okazaki, J. Chem. Phys. 141, 084509 (2014)], the solvent dependence of the reaction rate, the reaction mechanism involved, and the quantum effect therein have been investigated. With FCMD, the reaction rate in weakly interacting neon is lower than that in strongly interacting water. However, with QCMD, the order of the reaction rates is reversed. To investigate the mechanisms in detail, the reactions were categorized into three mechanisms: tunneling, thermal activation, and barrier vanishing. Then, the quantum and solvent effects were analyzed from the viewpoint of the reaction mechanism focusing on the shape of potential energy curve and its fluctuations. The higher reaction rate that was found for neon in QCMD compared with that found for water solvent arises from the tunneling reactions because of the nearly symmetric double-well shape of the potential curve in neon. The thermal activation and barrier vanishing reactions were also accelerated by the zero-point energy. The number of reactions based on these two mechanisms in water was greater than that in neon in both QCMD and FCMD because these reactions are dominated by the strength of solute-solvent interactions.

  18. The separation of benzene and cyclohexane by the batch extractive distillation

    International Nuclear Information System (INIS)

    Zhang Weijiang; Gui Xia

    2006-01-01

    The separation of the mixture is very important in environmental protection engineering and productive department. Azeotropic liquid mixture can not be separated by conventional distillation. But extractive distillation or combination of the two can be valid for them. In this paper, an experiment to separate benzene and Cyclohexane by batch extractive distillation was carried out with N,N-dimethylformide (DMF), dimethyl sulfoxide (DMSO) and their mixture as extractive solvent in this paper. The effect of operation parameter such as solvent flow rate and Reflux ratio on the separation was studied in the same operating condition. The results showed that the separation effect was improved with the increase of solvent flow rate and the Reflux ratio. All the three extractive solvent can separate benzene and cyclohexane to some extent, But the best was N,N- dimethylformide (DMF), the next was the mixture, and the last was dimethyl sulfoxide (DMSO). In the experiment the best operation condition was with N,N-dimethylformide(DMF) as extractive solvent, the solvent flow rate being 12.33ml/min, the Reflux ratio being 6. (authors)

  19. Radiolysis of triphenylarsine in a mixture of benzene and cyclohexane. [. gamma. radiation

    Energy Technology Data Exchange (ETDEWEB)

    Nazir, S B; Rai, R S [Birla Inst. of Tech. and Science, Pilani (India). Dept. of Chemistry

    1975-06-01

    A number of degassed samples of triphenylarsine were irradiated by gamma radiation in a mixture of benzene and cyclohexane. The condensable products formed were pentane, hexane, benzene and cyclohexane in cyclohexane solution containing triphenylarsine and cyclohexane in benzene in presence of triphenylarsine. When the composition of the solvent was varried by stepwise addition of benzene from 5 to 50%, the main condensable radiolytic products observed by vapour phase chromatography were hexane, : hexane and cyclohexene. No pentane was observed when benzene was present in the mixture upto 15%. However, it was detected in the presence of 20-30% benzene mixture. When the amount of benzene was 35-50% in the mixture, two isomers of hexane and hexene were also detected. A mechanism has been worked out for the formation of these compounds and protection and sensitization mechanisms have been invoked to explain the yields per 100 ev. From the kinetic analysis, it has been found out that the rate of formation of cyclohexene is much faster than rates of different products formed during gamma radiolysis and from the analysis of experimental data, sponge type protection has been postulated in this radiolytic system.

  20. Solvent wash solution

    International Nuclear Information System (INIS)

    Neace, J.C.

    1986-01-01

    This patent describes a process for removing diluent degradation products from a solvent extraction solution comprising an admixture of an organic extractant for uranium and plutonium and a non-polar organic liquid diluent, which has been used to recover uranium and plutonium from spent nuclear fuel. Comprising combining a wash solution consisting of: (a) water; and (b) a positive amount up to about, an including, 50 volume percent of at least one highly-polar water-miscible organic solvent, based on the total volume of the water and the highly-polar organic solvent, with the solvent extraction solution after uranium and plutonium values have been stripped from the solvent extraction solution, the diluent degradation products dissolving in the highly-polar organic solvent and the extractant and diluent of the extraction solution not dissolving in the highly-polar organic solvent, and separating the highly-polar organic solvent and the extraction solution to obtain a purified extraction solution

  1. Nonpolar solvation dynamics for a nonpolar solute in room ...

    Indian Academy of Sciences (India)

    Sandipa Indra

    2018-01-30

    Jan 30, 2018 ... Keywords. Solvation dynamics; nonpolar solvation; ionic liquid; molecular dynamics; linear response theory. 1. ... J. Chem. Sci. (2018) 130:3 spectrum of the excited probe molecule for imida- .... Therefore, the solute and the RTIL ions interact only ... interval of 30 ps from a long equilibrium trajectory of dura-.

  2. [Chemical hazards when working with solvent glues].

    Science.gov (United States)

    Domański, Wojciech; Makles, Zbigniew

    2012-01-01

    Solvent glues are used in a wide variety of industries, e.g., textile, footwear and rubber. The problem of workers' exposure to solvent vapors is rarely tackled within the area of occupational safety and health in small and medium-sized enterprises. In order to assess exposure to solvents, organic solvents emitted by glues were identified in the samples of workplace air. The concentration of acetone, benzene, cyclohexane, ethylbenzene, n-hexane, methylcyclohexane, butyl acetate and toluene were determined. The obtained results evidenced the presence of cyclohexane, ethylbenzene, ethylcyclohexane, heptane, n-hexane, o-xylene, methylcyclohexane, methylcyclopentane, butyl acetate and toluene in workplace air. The concentration of those compounds in workplace air was low, usually below 0.15 of MAC. At some workstations the presence of benzene was also observed. Occupational risk was assessed at workstations where gluing took place. It showed that the risk at those workstations was medium or low.

  3. Pressure effects on electron reactions and mobility in nonpolar liquids

    International Nuclear Information System (INIS)

    Holroyd, R.A.; Nishikawa, Masaru

    2002-01-01

    High pressure studies have elucidated the mechanisms of both electron reactions and electron transport in nonpolar liquids and provided information about the partial molar volumes of ions and electrons. The very large volume changes associated with electron attachment reactions have been explained as due to electrostriction by the ions, calculated with a continuum model, but modified to include the formation of a glassy shell of solvent molecules around the ion. The mobilities of electrons in cases where the electron is trapped can now be understood by comparing the trap cavity volume with the volume of electrostriction of the solvent around the cavity. In cases where the electron is quasi-free the compressibility dependent potential fluctuations are shown to be important. The isothermal compressibility is concluded to be the single most important parameter determining the behavior of excess electrons in liquids

  4. Laser-induced partial oxidation of cyclohexane in liquid phase

    International Nuclear Information System (INIS)

    Oshima, Y.; Wu, X.W.; Koda, S.

    1995-01-01

    A laser-induced partial oxidation of cyclohexane was studied in the liquid phase. With KrF excimer laser (248 nm) irradiation to neat liquid cyclohexane in which O 2 was dissolved, cyclohexanol and cyclohexanone were obtained with very high selectivities, together with cyclohexane as a minor product. Radical recombination reactions to produce dicyclohexyl ether and bicyclohexyl also took place, while these products were not observed in the gas phase reaction. These experimental results were considered to be due not only to higher concentration of cyclohexane but to the cage effect in the liquid phase oxidation. To clarify the reaction progress including the photoabsorption process, the effects of laser intensity and O 2 pressure on product distribution were studied. (author)

  5. γIrradiation induced formation of PCB-solvent adducts in aliphatic solvents

    International Nuclear Information System (INIS)

    Lepine, F.; Milot, S.; Gagne, N.

    1990-01-01

    γIrradiation induced formation of PCB-solvent adducts was investigated as a model for PCB residues in irradiated food. Formation of cyclohexyl adducts of PCBs was found to be significant when pure PCB congeners and Aroclor mixture were irradiated in cyclohexane and cyclohexene. Reaction pathways were investigated, and the effects of oxygen and electron scavenger were studied

  6. Green solvents and technologies for oil extraction from oilseeds

    OpenAIRE

    Kumar, S. P. Jeevan; Prasad, S. Rajendra; Banerjee, Rintu; Agarwal, Dinesh K.; Kulkarni, Kalyani S.; Ramesh, K. V.

    2017-01-01

    Oilseeds are crucial for the nutritional security of the global population. The conventional technology used for oil extraction from oilseeds is by solvent extraction. In solvent extraction, n-hexane is used as a solvent for its attributes such as simple recovery, non-polar nature, low latent heat of vaporization (330?kJ/kg) and high selectivity to solvents. However, usage of hexane as a solvent has lead to several repercussions such as air pollution, toxicity and harmfulness that prompted to...

  7. Catalytic oxidation of cyclohexane to cyclohexanone and ...

    Indian Academy of Sciences (India)

    perature are grounds for further improvement, and it is still difficult to .... glass round-bottom flask with a magnetic stirrer and reflux .... larger particles of platinum up to 3·5 nm (figure 3c). ... The solvent usually determines the medium polarity and.

  8. Study of solubility of some metal cyclohexane carbonates

    International Nuclear Information System (INIS)

    Niyazov, A.N.; Amanov, K.B.; Trapeznikova, V.F.; Kul'maksimov, A.; Kolosova, N.

    1978-01-01

    The solubility of calcium, magnesium, strontium, barium, cabalt, copper and aluminium cyclohexane, carbonates (CHC) in water has been studied at 25 deg C. The salt solubility has been calculated according to the metal ion concentration in saturated solutions. It has been established, that the cobalt and rare earth cyclohexane carbonates are relatively very soluble in water and have solubility products of SP > 1x10 -5 . The solubility of CHC of multivalent metals increases with the decrease of pH values. Each salt has some ''limiting'' pH value of a solution, below which it decomposes completely and can not exist in a solution in the form of solid phase

  9. Organic solvents improve hydrocarbon desorption and biodegradation in highly contaminated weathered soils

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Rivero, M. [Tecnologico de Estudios Superiores de Ecatepec, Mexico City (Mexico); Saucedo-Casteneda, G.; Gutierrez-Rojas, M. [Autonoma Metropolitan Univ., Mexico City (Mexico). Dept. of Biotechnology

    2007-07-15

    A toluene-based microbial slurry phase system was used to remediate hydrocarbons (HC) in highly contaminated soil samples collected from a site next to a working refinery in Mexico. Initial HC concentrations of the samples were 237.2 {+-} 16,6 g kg{sup -1} in dry soil. The microbial consortium consisted of 10 different strains in a mineral solution. Non-polar solvents used in the phase system included hexane, benzene, and toluene. Polar solvents included n-butanol, acetone, and methanol. The bioavailability of the HCs was increased using both polar and nonpolar solvents in order to promote desorption from the soil and to enhance overall HC biodegradation. HC desorption was analyzed in an abiotic system. Respiration and residual HCs were examined after a period of 30 days in order to compare the effects of the 2 solvents. The biodegradation extracts were then fractionated in a silica gel column to determine if the solvents actually enhanced the biodegradation of specific HC fractions. The study showed that induced dipole interactions forces resulted when nonpolar molecules were dissolved into a nonpolar solvent. Results for desorption and solubility varied among the 6 solvents. Higher dielectric constants resulted in higher solubility and desorption of HCs for nonpolar solvents, while the opposite effect was observed for polar solvents. It was concluded that toluene produced better biodegradation results than any of the milder solvents. 34 refs., 4 tabs., 1 fig.

  10. "Inverted" Solvent Effect on Charge Transfer in the Excited State.

    Science.gov (United States)

    Nau; Pischel

    1999-10-04

    Faster in cyclohexane than in acetonitrile is the fluorescence quenching of the azoalkane 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by amines and sulfides. Although this photoreaction is induced by charge transfer (CT; see picture) and exciplexes are formed, the increase in the dipole moment of the exciplex is not large enough to offset the solvent stabilization of the excited reactants, and an "inverted" solvent effect results.

  11. Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model

    Science.gov (United States)

    Diaz-Rodriguez, Sebastian; Bozada, Samantha M.; Phifer, Jeremy R.; Paluch, Andrew S.

    2016-11-01

    We present blind predictions using the solubility parameter based method MOSCED submitted for the SAMPL5 challenge on calculating cyclohexane/water distribution coefficients at 298 K. Reference data to parameterize MOSCED was generated with knowledge only of chemical structure by performing solvation free energy calculations using electronic structure calculations in the SMD continuum solvent. To maintain simplicity and use only a single method, we approximate the distribution coefficient with the partition coefficient of the neutral species. Over the final SAMPL5 set of 53 compounds, we achieved an average unsigned error of 2.2± 0.2 log units (ranking 15 out of 62 entries), the correlation coefficient ( R) was 0.6± 0.1 (ranking 35), and 72± 6 % of the predictions had the correct sign (ranking 30). While used here to predict cyclohexane/water distribution coefficients at 298 K, MOSCED is broadly applicable, allowing one to predict temperature dependent infinite dilution activity coefficients in any solvent for which parameters exist, and provides a means by which an excess Gibbs free energy model may be parameterized to predict composition dependent phase-equilibrium.

  12. Prediction of non-polar gas solubilities in water, alcohols and aqueous alcohol solutions by the modified ASOG method

    Energy Technology Data Exchange (ETDEWEB)

    Tochigi, K.; Kojima, K.

    1982-07-01

    This study evaluated a technique for predicting gas solubilities based on a modified ASOG group-contribution method, considering water, alcohols, and aqueous alcohol solutions as the solvents. The nonpolar gaseous solutes considered were oxygen, nitrogen, hydrogen, carbon dioxide, argon, methane, ethane, ethylene, propane, and butane. Gas solubilities were correlated and predicted for a partial gas pressure of 1 atm and a temperature range of 50/sup 0/-100/sup 0/F (10/sup 0/-40/sup 0/C) in pure solvents, and then predicted for the same pressure and temperature range in mixed solvents using only the solubility data for the pure solvents. The deviations between the observed and predicted solubilities averaged 6.0% in pure systems and 10.2% in mixed solvents.

  13. 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.

  14. Double Solvent for Extracting Rare Earth Concentrate

    International Nuclear Information System (INIS)

    Bintarti, AN; Bambang EHB

    2007-01-01

    An extraction process to rare earth concentrate which contain elements were yttrium (Y), lanthanum (La), cerium (Ce), neodymium (Nd), samarium (Sm), gadolinium (Gd) and dysprosium (Dy) which were dissolved in to nitric acid has been done. The experiment of the extraction by double solvent in batch to mix 10 ml of the feed with 10 ml solvent contained the pair of solvent was TBP and TOA, D2EHPA and TOA, TBP and D2EHPA in cyclohexane as tinner. It was selected a right pairs of solvent for doing variation such as the acidity of the feed from 2 - 6 M and the time of stirring from 5 - 25 minutes gave the good relatively extraction condition to Dy element such as using 10 % volume of TOA in D2EHPA and cyclohexane, the acidity of the feed 3 M and the time stirring 15 minutes produced coefficient distribution to dysprosium = 0.586 and separation factor Dy-Ce = ∼ (unlimited); Dy-Nd = 4.651. (author)

  15. Origins of protein denatured state compactness and hydrophobic clustering in aqueous urea: inferences from nonpolar potentials of mean force.

    Science.gov (United States)

    Shimizu, Seishi; Chan, Hue Sun

    2002-12-01

    Free energies of pairwise hydrophobic association are simulated in aqueous solutions of urea at concentrations ranging from 0-8 M. Consistent with the expectation that hydrophobic interactions are weakened by urea, the association of relatively large nonpolar solutes is destabilized by urea. However, the association of two small methane-sized nonpolar solutes in water has the opposite tendency of being slightly strengthened by the addition of urea. Such size effects and the dependence of urea-induced stability changes on the configuration of nonpolar solutes are not predicted by solvent accessible surface area approaches based on energetic parameters derived from bulk-phase solubilities of model compounds. Thus, to understand hydrophobic interactions in proteins, it is not sufficient to rely solely on transfer experiment data that effectively characterize a single nonpolar solute in an aqueous environment but not the solvent-mediated interactions among two or more nonpolar solutes. We find that the m-values for the rate of change of two-methane association free energy with respect to urea concentration is a dramatically nonmonotonic function of the spatial separation between the two methanes, with a distance-dependent profile similar to the corresponding two-methane heat capacity of association in pure water. Our results rationalize the persistence of residual hydrophobic contacts in some proteins at high urea concentrations and explain why the heat capacity signature (DeltaC(P)) of a compact denatured state can be similar to DeltaC(P) values calculated by assuming an open random-coil-like unfolded state. Copyright 2002 Wiley-Liss, Inc.

  16. Oxidation of cyclohexane catalyzed by metal-ion-exchanged zeolites.

    Science.gov (United States)

    Sökmen, Ilkay; Sevin, Fatma

    2003-08-01

    The ion-exchange rates and capacities of the zeolite NaY for the Cu(II), Co(II), and Pb(II) metal ions were investigated. Ion-exchange equilibria were achieved in approximately 72 h for all the metal ions. The maximum ion exchange of metal ions into the zeolite was found to be 120 mg Pb(II), 110 mg Cu(II), and 100 mg Co(II) per gram of zeolite NaY. It is observed that the exchange capacity of a zeolite varies with the exchanged metal ion and the amount of metal ions exchanged into zeolite decreases in the sequence Pb(II) > Cu(II) > Co(II). Application of the metal-ion-exchanged zeolites in oxidation of cyclohexane in liquid phase with visible light was examined and it is observed that the order of reactivity of the zeolites for the conversion of cyclohexane to cyclohexanone and cyclohexanol is CuY > CoY > PbY. It is found that conversion increases by increase of the empty active sites of a zeolite and the formation of cyclohexanol is favored initially, but the cyclohexanol is subsequently converted to cyclohexanone.

  17. EDITORIAL: Non-polar and semipolar nitride semiconductors Non-polar and semipolar nitride semiconductors

    Science.gov (United States)

    Han, Jung; Kneissl, Michael

    2012-02-01

    Throughout the history of group-III-nitride materials and devices, scientific breakthroughs and technological advances have gone hand-in-hand. In the late 1980s and early 1990s, the discovery of the nucleation of smooth (0001) GaN films on c-plane sapphire and the activation of p-dopants in GaN led very quickly to the realization of high-brightness blue and green LEDs, followed by the first demonstration of GaN-based violet laser diodes in the mid 1990s. Today, blue InGaN LEDs boast record external quantum efficiencies exceeding 80% and the emission wavelength of the InGaN-based laser diode has been pushed into the green spectral range. Although these tremenduous advances have already spurred multi-billion dollar industries, there are still a number of scientific questions and technological issues that are unanswered. One key challenge is related to the polar nature of the III-nitride wurtzite crystal. Until a decade ago all research activities had almost exclusively concentrated on (0001)-oriented polar GaN layers and heterostructures. Although the device characteristics seem excellent, the strong polarization fields at GaN heterointerfaces can lead to a significant deterioration of the device performance. Triggered by the first demonstration non-polar GaN quantum wells grown on LiAlO2 by Waltereit and colleagues in 2000, impressive advances in the area of non-polar and semipolar nitride semiconductors and devices have been achieved. Today, a large variety of heterostructures free of polarization fields and exhibiting exceptional electronic and optical properties have been demonstrated, and the fundamental understanding of polar, semipolar and non-polar nitrides has made significant leaps forward. The contributions in this Semiconductor Science and Technology special issue on non-polar and semipolar nitride semiconductors provide an impressive and up-to-date cross-section of all areas of research and device physics in this field. The articles cover a wide range of

  18. Synthesis and Evaluation of Nanostructured Gold-Iron Oxide Catalysts for the Oxidative Dehydrogenation of Cyclohexane

    Science.gov (United States)

    Wu, Peng

    Shape-controlled iron oxide and gold-iron oxide catalysts with a cubic inverse spinel structure were studied in this thesis for the oxidative dehydrogenation of cyclohexane. The structure of iron oxide and gold-iron oxide catalysts has no major impact on their oxidative dehydrogenation activity. However, the product selectivity is influenced. Both cyclohexene and benzene are formed on bare iron oxide nanoshapes, while benzene is the only dehydrogenation product in the presence of gold. The selectivity of benzene over CO2 depends strongly on the stability of the iron oxide support and the gold-support interaction. The highest benzene yield has been observed on gold-iron oxide octahedra. {111}-bound nanooctahedra are highly stable in reaction conditions at 300 °C, while {100}-bound nanocubes start to sinter above 250 °C. The highest benzene yield has been observed on gold-iron oxide nanooctahedra, which are likely to have gold atoms, and few-atom gold clusters strongly-bound on their surface. Cationic gold appears to be the active site for benzene formation. An all-organic method to prepare Au-FeOx nano-catalysts is needed due to the inconvenience of the half-organic, half-inorganic synthesis process discussed above. Several methods from the literature to prepare gold-iron oxide nanocomposites completely in organic solvents were reviewed and followed. FeOx Au synthesis procedures in literatures are initially designed for a Au content of over 70%. This approach was tried here to prepare composites with a much lower Au content (2-5 atom. %). Heat treatment is required to bond Au and FeOx NPs in the organic-phase syntheses. Au-FeOx-4 was obtained as a selective catalyst for the ODH of cyclohexane. A Audelta+ peak is observed in the UV-Vis spectrum of sample Au-FeOx-4. This different Au delta+ form may be cationic Au nano-clusters interacting with the FeOx support. It has been demonstrated that cationic gold is responsible for dehydrogenation behavior. Furthermore, the

  19. Energetics of cyclohexane isomers: a density-functional study

    International Nuclear Information System (INIS)

    Lee, Chang Yol

    1999-01-01

    The binding energies and the geometric structures of conformational isomers of cyclohexane (C 6 H 12 ) are determined from the density-functional theory combined with ultrasoft pseudopotentials and gradient-corrected nonlocal exchange-correlation functionals. The ground-state chair conformation is found to have a binding energy of 99.457 eV, and the metastable twist-boat conformation has 99.161 eV. The chair conformation converts to another conformation via a half-chair conformation with an energy barrier of 0.507 eV whereas the twist-boat conformation converts to another twist-boat conformation via a boat conformation with a much smaller energy barrier of 0.015 eV

  20. Variation in Scent Compounds of Oil-Bearing Rose (Rosa damascena Mill. Produced by Headspace Solid Phase Microextraction, Hydrodistillation and Solvent Extraction

    Directory of Open Access Journals (Sweden)

    Sabri Erbaş

    2016-03-01

    Full Text Available In this research, rose oil and rose water were hydro-distilled from the fresh oil-bearing rose flowers (Rosa damascena Mill. using Clevenger-type apparatus. Rose concretes were extracted from the fresh rose flowers by using non-polar solvents, e.g. diethyl ether, petroleum ether, cyclo-hexane, chloroform and n-hexane, and subsequently by evaporation of the solvents under vacuum. Absolutes were produced from the concretes with ethyl alcohol extraction at -20°C, leaving behind the wax and other paraffinic substances. Scent compounds of all these products detected by gas chromatography (GC-FID/GC-MS were compared with the natural scent compounds of fresh rose flower detected by using headspace solid phase microextraction (HS-SPME with carboxen/polydimethylsiloxane (CAR/PDMS fiber. A total of 46 compounds analysis were identified by HS-SPME-GC-MS in the fresh flower, and a total of 15 compounds were identified by GC-MS in the hydrodistilled rose oil. While main compounds in rose oil were geraniol (35.4%, citronellol (31.6%, and nerol (15.3%, major compound in fresh rose flower, rose water and residue water was phenylethyl alcohol (43.2, 35.6 and 98.2%, respectively. While the highest concrete yield (0.7% was obtained from diethyl ether extraction, the highest absolute yield (70.9% was obtained from the n-hexane concrete. The diethyl ether concrete gave the highest productivity of absolute, as 249.7 kg of fresh rose flowers was needed to produce 1 kg of absolute.

  1. Selective nonspecific solvation under dielectric saturation and fluorescence spectra of dye solutions in binary solvents.

    Science.gov (United States)

    Bakhshiev, N G; Kiselev, M B

    1991-09-01

    The influence of selective nonspecific solvation on the fluorescence spectra of three substitutedN-methylphthalimides in a binary solvent system consisting of a nonpolar (n-heptane) and a polar (pyridine) component has been studied under conditions close to dielectric saturation. The substantially nonlinearity of the effect is confirmation that the spectral shifts of fluorescence bands depend on the number of polar solvent molecules involved in solvating the dye molecule. The measured fluorescence spectral shifts determined by substituting one nonpolar solvent molecula with a polar one in the proximity of the dye molecule agree quantitatively with the forecasts of the previously proposed semiempirical theory which describes this nonlinear solvation phenomenon.

  2. Solvent jet desorption capillary photoionization-mass spectrometry.

    Science.gov (United States)

    Haapala, Markus; Teppo, Jaakko; Ollikainen, Elisa; Kiiski, Iiro; Vaikkinen, Anu; Kauppila, Tiina J; Kostiainen, Risto

    2015-03-17

    A new ambient mass spectrometry method, solvent jet desorption capillary photoionization (DCPI), is described. The method uses a solvent jet generated by a coaxial nebulizer operated at ambient conditions with nitrogen as nebulizer gas. The solvent jet is directed onto a sample surface, from which analytes are extracted into the solvent and ejected from the surface in secondary droplets formed in collisions between the jet and the sample surface. The secondary droplets are directed into the heated capillary photoionization (CPI) device, where the droplets are vaporized and the gaseous analytes are ionized by 10 eV photons generated by a vacuum ultraviolet (VUV) krypton discharge lamp. As the CPI device is directly connected to the extended capillary inlet of the MS, high ion transfer efficiency to the vacuum of MS is achieved. The solvent jet DCPI provides several advantages: high sensitivity for nonpolar and polar compounds with limit of detection down to low fmol levels, capability of analyzing small and large molecules, and good spatial resolution (250 μm). Two ionization mechanisms are involved in DCPI: atmospheric pressure photoionization, capable of ionizing polar and nonpolar compounds, and solvent assisted inlet ionization capable of ionizing larger molecules like peptides. The feasibility of DCPI was successfully tested in the analysis of polar and nonpolar compounds in sage leaves and chili pepper.

  3. Removal of Cyclohexane from a Contaminated Air Stream Using a Dense Phase Membrane Bioreactor

    National Research Council Canada - National Science Library

    Roberts, Michael G

    2005-01-01

    The purpose of this research was to determine the ability of a dense phase membrane bioreactor to remove cyclohexane, a volatile organic compound in JP-8 jet fuel, from a contaminated air stream using...

  4. Solvent extraction

    Energy Technology Data Exchange (ETDEWEB)

    Coombs, D.M.; Latimer, E.G.

    1988-01-05

    It is an object of this invention to provide for the demetallization and general upgrading of heavy oil via a solvent extracton process, and to improve the efficiency of solvent extraction operations. The yield and demetallization of product oil form heavy high-metal content oil is maximized by solvent extractions which employ either or all of the following techniques: premixing of a minor amount of the solvent with feed and using countercurrent flow for the remaining solvent; use of certain solvent/free ratios; use of segmental baffle tray extraction column internals and the proper extraction column residence time. The solvent premix/countercurrent flow feature of the invention substantially improves extractions where temperatures and pressures above the critical point of the solvent are used. By using this technique, a greater yield of extract oil can be obtained at the same metals content or a lower metals-containing extract oil product can be obtained at the same yield. Furthermore, the premixing of part of the solvent with the feed before countercurrent extraction gives high extract oil yields and high quality demetallization. The solvent/feed ratio features of the invention substanially lower the captial and operating costs for such processes while not suffering a loss in selectivity for metals rejection. The column internals and rsidence time features of the invention further improve the extractor metals rejection at a constant yield or allow for an increase in extract oil yield at a constant extract oil metals content. 13 figs., 3 tabs.

  5. Nonhazardous solvent composition and method for cleaning metal surfaces

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  6. Anaerobic degradation of cyclohexane by sulfate-reducing bacteria from hydrocarbon-contaminated marine sediments

    Directory of Open Access Journals (Sweden)

    Ulrike eJaekel

    2015-02-01

    Full Text Available The fate of cyclohexane, often used as a model compound for the biodegradation of cyclic alkanes due to its abundance in crude oils, in anoxic marine sediments has been poorly investigated. In the present study, we obtained an enrichment culture of cyclohexane-degrading sulfate-reducing bacteria from hydrocarbon-contaminated intertidal marine sediments. Microscopic analyses showed an apparent dominance by oval cells of 1.5×0.8 m. Analysis of a 16S rRNA gene library, followed by whole-cell hybridization with group- and sequence-specific oligonucleotide probes showed that these cells belonged to a single phylotype, and were accounting for more than 80% of the total cell number. The dominant phylotype, affiliated with the Desulfosarcina-Desulfococcus cluster of the Deltaproteobacteria, is proposed to be responsible for the degradation of cyclohexane. Quantitative growth experiments showed that cyclohexane degradation was coupled with the stoichiometric reduction of sulfate to sulfide. Substrate response tests corroborated with hybridization with a sequence-specific oligonucleotide probe suggested that the dominant phylotype apparently was able to degrade other cyclic and n-alkanes, including the gaseous alkanes propane and n-butane. Based on GC-MS analyses of culture extracts cyclohexylsuccinate was identified as a metabolite, indicating an activation of cyclohexane by addition to fumarate. Other metabolites detected were 3-cyclohexylpropionate and cyclohexanecarboxylate providing evidence that the overall degradation pathway of cyclohexane under anoxic conditions is analogous to that of n-alkanes.

  7. Rate for energy transfer from excited cyclohexane to nitrous oxide in the liquid phase

    International Nuclear Information System (INIS)

    Wada, T.; Hatano, Y.

    1975-01-01

    Pure liquid cyclohexane and cyclohexane solutions of nitrous oxide have been photolyzed at 163 nm. The quantum yield of the product hydrogen in the photolysis of pure cyclohexane is found to be 1.0. The addition of nitrous oxide results in the reduction in the yield of hydrogen and in the formation of nitrogen. The decrement of the hydrogen yield is approximately equal to the increment of the nitrogen yield. About 40 percent of the hydrogen yield in pure cyclohexane is found to be produced through a path which is not affected by the addition of nitrous oxide. The effect of the addition of nitrous oxide is attributed to energy transfer from excited cyclohexane to nitrous oxide with the rate constant of k = 1.0 x 10 11 M -1 sec -1 (at 15 0 C). This value is about a factor of 10 larger than that expected as for diffusion-controlled rate. A contribution of the energy transfer process to the formation of nitrogen in the radiolysis of cyclohexane solutions of nitrous oxide has also been discussed. (auth)

  8. Solvent-extraction methods applied to the chemical analysis of uranium. III. Study of the extraction with inert solvents

    International Nuclear Information System (INIS)

    Vera Palomino, J.; Palomares Delgado, F.; Petrement Eguiluz, J. C.

    1964-01-01

    The extraction of uranium on the trace level is studied by using tributylphosphate as active agent under conditions aiming the attainment of quantitative extraction by means of a single step process using a number of salting-out agents and keeping inside the general lines as reported in two precedent papers. Two inert solvents were investigated, benzene and cyclohexane, which allowed to derive the corresponding empirical equations describing the extraction process and the results obtained were compared with those previously reported for solvents which, like ethyl acetate and methylisobuthylketone, favour to a more or less extend the extraction of uranium. (Author) 4 refs

  9. An Equation of State for the Thermodynamic Properties of Cyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yong, E-mail: Yong.Zhou2@honeywell.com; Liu, Jun [Honeywell Integrated Technology China Co. Ltd., 430 Li Bing Road, Zhangjiang Hi-Tech Park, Shanghai 201203 (China); Penoncello, Steven G. [Center for Applied Thermodynamic Studies, College of Engineering, University of Idaho, Moscow, Idaho 83844 (United States); Lemmon, Eric W. [Applied Chemicals and Materials Division, National Institute of Standards and Technology, 325 Broadway, Boulder, Colorado 80305 (United States)

    2014-12-15

    An equation of state for cyclohexane has been developed using the Helmholtz energy as the fundamental property with independent variables of density and temperature. Multi-property fitting technology was used to fit the equation of state to data for pρT, heat capacities, sound speeds, virial coefficients, vapor pressures, and saturated densities. The equation of state was developed to conform to the Maxwell criteria for two-phase vapor-liquid equilibrium states, and is valid from the triple-point temperature to 700 K, with pressures up to 250 MPa and densities up to 10.3 mol dm{sup −3}. In general, the uncertainties (k = 2, indicating a level of confidence of 95%) in density for the equation of state are 0.1% (liquid and vapor) up to 500 K, and 0.2% above 500 K, with higher uncertainties within the critical region. Between 283 and 473 K with pressures lower than 30 MPa, the uncertainty is as low as 0.03% in density in the liquid phase. The uncertainties in the speed of sound are 0.2% between 283 and 323 K in the liquid, and 1% elsewhere. Other uncertainties are 0.05% in vapor pressure and 2% in heat capacities. The behavior of the equation of state is reasonable within the region of validity and at higher and lower temperatures and pressures. A detailed analysis has been performed in this article.

  10. Thermophysical properties of binary blends of cyclohexane with some esters

    Directory of Open Access Journals (Sweden)

    Pradhan Rajendra

    2017-01-01

    Full Text Available From the densities (ρ and viscosities (η measured for three binary blends consisting of methyl acetate (MA, ethyl acetate (EA and methyl salicylate (MS over the entire composition range with cyclohexane (CH at 298.15–318.15 K under atmospheric pressure, the excess molar volumes (VEm and excess viscosities (ηE were derived. In addition, the excess isentropic compressibilities (KEs excess intermolecular free lengths (LEf and excess molar refractions (R Em were derived from measured ultrasonic speeds of sound (u and refractive indices (nD for the binary blends at 298.15 K. Various derived properties are discussed in terms of molecular interactions and structural effects. Partial molar volumes ( 0 Vm,1 and 0 Vm,2 and excess partial molar volumes ( 0,E Vm,1 and 0,E Vm,2 at infinite dilution are also discussed in terms of volume changes in the blends. Furthermore, the excess molar volumes (V Em and viscosities (η of the blends were correlated with the Prigogine–Flory–Paterson (PFP theory and the Peng–Robinson Equation of State (PR-EOS.

  11. Thermodynamic study of the transfer of acetanilide and phenacetin from water to different organic solvents.

    Science.gov (United States)

    Baena, Yolima; Pinzón, Jorge A; Barbosa, Helber J; Martínez, Fleming

    2005-06-01

    The molar (K(C)(o/w)) and rational (K(X)(o/w)) partition coefficients in the octanol/buffer, i-propyl myristate/buffer, chloroform/buffer, and cyclohexane/buffer systems were determined for acetanilide and phenacetin at 25.0, 30.0, 35.0, and 40.0 degrees C. In all cases except for cyclohexane, the K(C)(o/w) and K(X)(o/w) values were greater than unity. This demonstrates that these two drugs have predominantly lipophilic behavior. Gibbs and van't Hoff thermodynamic analyses have revealed that the transfer of these drugs from water to organic solvents is spontaneous and that it is mainly driven enthalpically for i-propyl myristate and chloroform, and entropy-driven for octanol and cyclohexane.

  12. Deasphalting solvents

    International Nuclear Information System (INIS)

    Carrillo, J. A; Caceres, J; Vela, G; Bueno, H

    1996-01-01

    This paper describes how the deasphalted oil (DMO) or demetalized oil (DMO) quality (CCR, Ni, V end asphaltenes contents) changes with: DAO or DMO yield, solvent/feed ratio, type of vacuum reside (from paraffinic to blends with vis breaking bottoms), extraction temperature and extraction solvent (propane, propylene, n-butane and I butane)

  13. Efficiency droop in nonpolar InGaN quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Schade, Lukas; Schwarz, Ulrich [Fraunhofer Institut fuer Angewandte Festkoerperphysik (IAF), Freiburg im Breisgau (Germany); Institut fuer Mikrosystemtechnik (IMTEK), Universitaet Freiburg, Freiburg im Breisgau (Germany); Wernicke, Tim; Rass, Jens; Ploch, Simon [Institut fuer Festkoerperphysik, Technische Universitaet Berlin (Germany); Weyers, Markus [Ferdinand-Braun-Institut (FBH), Berlin (Germany); Kneissl, Michael [Institut fuer Festkoerperphysik, Technische Universitaet Berlin (Germany); Ferdinand-Braun-Institut (FBH), Berlin (Germany)

    2012-07-01

    InGaN quantum wells (QWs) exhibit a decline of the internal efficiency at high charge carrier excitation. This has been observed for polar as well as for semipolar and nonpolar oriented QWs. Polar stands for the (0001) growth direction with strong piezoelectric fields. Due to the vanishing fields, the orthogonal growth directions (a or m) are called nonpolar, while all directions between are merged as semipolar orientations. In contrast to the polar and many semipolar QWs, nonpolar InGaN QWs provide a special property: optical polarization of the radiative transitions, which is a result of the anisotropic strain within pseudomorphic grown nonpolar QWs. Using this property, the broadened effective emission can be resolved into two fundamental transitions. They are spectrally separated by a defined energy which corresponds to the energy distance of the valence subbands. We studied nonpolar InGaN/InGaN Multi-QWs grown on low defect density GaN substrates with a setup for confocal microscopy. To reach high excitation densities of charge carriers, we use either a combination of an UV laser and highly focusing objectives or an electric pulse generator. The emission is spectrally analysed and compared to established models.

  14. Tridodecylamine, an efficient charge control agent in non-polar media for electrophoretic inks application

    Science.gov (United States)

    Noel, Amélie; Mirbel, Déborah; Cloutet, Eric; Fleury, Guillaume; Schatz, Christophe; Navarro, Christophe; Hadziioannou, Georges; CyrilBrochon

    2018-01-01

    In order to obtain efficient electrophoretic inks, Tridodecylamine (Dod3N), has been studied as charge control agent (CCA) in a non-polar paraffin solvent (Isopar G) for various inorganic pigments (TiO2 and Fe2O3). All hydrophobic mineral oxides, i.e. treated with octyltrimethoxysilane (C8) or dodecyltrimethoxysilane (C12), were found to be negatively charged in presence of Dod3N. The electrophoretic mobilities of inorganic pigments seemed to be strongly dependent of their isoelectric point (IEP) and also of the concentration of dod3N with an optimum range between 10 and 20 mM depending on the pigments. Finally, an electrophoretic ink constituted of hydrophobic mineral oxides in presence of Dod3N was tested in a device. Its efficiency as charge control agent to negatively charge hydrophobic particles was confirmed through good optical properties and fast response time (220 ms at 200 kV m-1).

  15. Nanospikes functionalization as a universal strategy to disperse hydrophilic particles in non-polar media

    Science.gov (United States)

    Hang, Tian; Chen, Hui-Jiuan; Wang, Ji; Lin, Di-an; Wu, Jiangming; Liu, Di; Cao, Yuhong; Yang, Chengduan; Liu, Chenglin; Xiao, Shuai; Gu, Meilin; Pan, Shuolin; Wu, Mei X.; Xie, Xi

    2018-05-01

    Dispersion of hydrophilic particles in non-polar media has many important applications yet remains difficult. Surfactant or amphiphilic functionalization was conventionally applied to disperse particles but is highly dependent on the particle/solvent system and may induce unfavorable effects and impact particle hydrophilic nature. Recently 2 μm size polystyrene microbeads coated with ZnO nanospikes have been reported to display anomalous dispersity in phobic media without using surfactant or amphiphilic functionalization. However, due to the lack of understanding whether this phenomenon was applicable to a wider range of conditions, little application has been derived from it. Here the anomalous dispersity phenomenons of hydrophilic microparticles covered with nanospikes were systematically assessed at various conditions including different particle sizes, material compositions, particle morphologies, solvent hydrophobicities, and surface polar groups. Microparticles were functionalized with nanospikes through hydrothermal route, followed by dispersity test in hydrophobic media. The results suggest nanospikes consistently prevent particle aggregation in various particle or solvent conditions, indicating the universal applicability of the anomalous dispersion phenomenons. This work provides insight on the anomalous dispersity of hydrophilic particles in various systems and offers potential application to use this method for surfactant-free dispersions.

  16. Solvent substitution

    International Nuclear Information System (INIS)

    1990-01-01

    The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general ''Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated

  17. Solvent substitution

    Energy Technology Data Exchange (ETDEWEB)

    1990-01-01

    The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated.

  18. Green solvents and technologies for oil extraction from oilseeds.

    Science.gov (United States)

    Kumar, S P Jeevan; Prasad, S Rajendra; Banerjee, Rintu; Agarwal, Dinesh K; Kulkarni, Kalyani S; Ramesh, K V

    2017-01-01

    Oilseeds are crucial for the nutritional security of the global population. The conventional technology used for oil extraction from oilseeds is by solvent extraction. In solvent extraction, n -hexane is used as a solvent for its attributes such as simple recovery, non-polar nature, low latent heat of vaporization (330 kJ/kg) and high selectivity to solvents. However, usage of hexane as a solvent has lead to several repercussions such as air pollution, toxicity and harmfulness that prompted to look for alternative options. To circumvent the problem, green solvents could be a promising approach to replace solvent extraction. In this review, green solvents and technology like aqueous assisted enzyme extraction are better solution for oil extraction from oilseeds. Enzyme mediated extraction is eco-friendly, can obtain higher yields, cost-effective and aids in obtaining co-products without any damage. Enzyme technology has great potential for oil extraction in oilseed industry. Similarly, green solvents such as terpenes and ionic liquids have tremendous solvent properties that enable to extract the oil in eco-friendly manner. These green solvents and technologies are considered green owing to the attributes of energy reduction, eco-friendliness, non-toxicity and non-harmfulness. Hence, the review is mainly focussed on the prospects and challenges of green solvents and technology as the best option to replace the conventional methods without compromising the quality of the extracted products.

  19. Inhibition of Ps Formation in Benzene and Cyclohexane by CH3CI and CH3Br

    DEFF Research Database (Denmark)

    Wikander, G.; Mogensen, O. E.; Pedersen, Niels Jørgen

    1983-01-01

    Positron-annihilation lifetime spectra have been measured for mixtures of CH3Cl and CH3Br in cyclohexane and of CH3Cl in benzene. The ortho-positronium (Ps) yield decreased monotonically from 38% and 43% in cyclohexane and benzene respectively to 11% in pure CH3Cl and 6% in pure CH3Br. The strength......− anions to form Ps. while it forms a bound state with the halides. X−. CH3Cl was a roughly three times weaker Ps inhibitor in benzene than in cyclohexane, which shows that CH3Cl− does not dechlorinate in times comparable to or shorter than 400–500 ps in benzene. An improved model for the explanation of Ps...

  20. Long-Wavelength Phonon Scattering in Nonpolar Semiconductors

    DEFF Research Database (Denmark)

    Lawætz, Peter

    1969-01-01

    The long-wavelength acoustic- and optical-phonon scattering of carriers in nonpolar semiconductors is considered from a general point of view. The deformation-potential approximation is defined and it is shown that long-range electrostatic forces give a nontrivial correction to the scattering...... of the very-short-range nature of interactions in a covalent semiconductor....

  1. Two complementary reversed-phase separations for comprehensive coverage of the semipolar and nonpolar metabolome.

    Science.gov (United States)

    Naser, Fuad J; Mahieu, Nathaniel G; Wang, Lingjue; Spalding, Jonathan L; Johnson, Stephen L; Patti, Gary J

    2018-02-01

    Although it is common in untargeted metabolomics to apply reversed-phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) methods that have been systematically optimized for lipids and central carbon metabolites, here we show that these established protocols provide poor coverage of semipolar metabolites because of inadequate retention. Our objective was to develop an RPLC approach that improved detection of these metabolites without sacrificing lipid coverage. We initially evaluated columns recently released by Waters under the CORTECS line by analyzing 47 small-molecule standards that evenly span the nonpolar and semipolar ranges. An RPLC method commonly used in untargeted metabolomics was considered a benchmarking reference. We found that highly nonpolar and semipolar metabolites cannot be reliably profiled with any single method because of retention and solubility limitations of the injection solvent. Instead, we optimized a multiplexed approach using the CORTECS T3 column to analyze semipolar compounds and the CORTECS C 8 column to analyze lipids. Strikingly, we determined that combining these methods allowed detection of 41 of the total 47 standards, whereas our reference RPLC method detected only 10 of the 47 standards. We then applied credentialing to compare method performance at the comprehensive scale. The tandem method showed more than a fivefold increase in credentialing coverage relative to our RPLC benchmark. Our results demonstrate that comprehensive coverage of metabolites amenable to reversed-phase separation necessitates two reconstitution solvents and chromatographic methods. Thus, we suggest complementing HILIC methods with a dual T3 and C 8 RPLC approach to increase coverage of semipolar metabolites and lipids for untargeted metabolomics. Graphical abstract Analysis of semipolar and nonpolar metabolites necessitates two reversed-phase chromatography (RPLC) methods, which extend metabolome coverage more

  2. (Liquid + liquid) equilibria of {benzene + cyclohexane + two ionic liquids} at different temperature and atmospheric pressure

    International Nuclear Information System (INIS)

    Sakal, Salem A.; Shen, Chong; Li, Chun-xi

    2012-01-01

    Highlights: ► (Liquid + liquid) equilibrium for two quaternary and two ternary systems were measured. ► The components include cyclohexane, benzene, [MIM][BF4], [MIM][ClO4] and [MMIM][DMP]. ► The (liquid + liquid) equilibrium data can be well correlated by the NRTL model. ► Separation of benzene and cyclohexane by pure ILs and their mixtures were discussed. - Abstract: (Liquid + liquid) equilibrium data of the following ternary and quaternary systems at different temperatures and mass fractions of ionic liquids (ILs) were measured at atmospheric pressure, i.e., {cyclohexane + benzene + 1,3-dimethylimidazolium dimethylphosphate ([MMIM][DMP])} at 298.2 K, {cyclohexane + benzene + 1-methylimidazolium tetrafluoroborate ([MIM][BF 4 ])} at 338.2 K, {cyclohexane + benzene + [MIM][BF 4 ] + [MMIM][DMP]} at (298.2 and 313.2) K, and {cyclohexane + benzene + 1-methylimidazolium perchlorate [MIM][ClO 4 ] + [MMIM][DMP]} at 298.2 K. The results indicate that both selectivity and distribution factor of the IL mixture for benzene are lower than that of pure IL [MMIM][DMP] at a specified condition, and decrease with the increase of the mass fraction of [MIM][BF 4 ] or [MIM][ClO 4 ] in its mixture of [MMIM][DMP] and the mole fraction of benzene. The extremely high selectivity of [MIM][BF 4 ] and [MIM][ClO 4 ] for aromatic compounds as predicted by the COSMOS-RS model is not justified by the present experimental results, and on the contrary, they show a relatively lower selectivity and extraction capacity for benzene than [MMIM][DMP].

  3. Effect of L-cysteine on the oxidation of cyclohexane catalyzed by manganeseporphyrin.

    Science.gov (United States)

    Zhou, Wei-You; Tian, Peng; Chen, Yong; He, Ming-Yang; Chen, Qun; Chen, Zai Xin

    2015-06-01

    Effect of L-cysteine as the cocatalyst on the oxidation of cyclohexane by tert-butylhydroperoxide (TBHP) catalyzed by manganese tetraphenylporphyrin (MnTPP) has been investigated. The results showed that L-cysteine could moderately improve the catalytic activity of MnTPP and significantly increase the selectivity of cyclohexanol. Different from imidazole and pyridine, the L-cysteine may perform dual roles in the catalytic oxidation of cyclohexane. Besides as the axial ligand for MnTPP, the L-cysteine could also react with cyclohexyl peroxide formed as the intermediate to produce alcohol as the main product. Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. Selective oxidation of benzene and cyclohexane using amorphous microporous mixed oxides; Selektive Oxidation von Benzol und Cyclohexan mit amorphen mikroporoesen Mischoxiden

    Energy Technology Data Exchange (ETDEWEB)

    Stoeckmann, M.

    2000-07-01

    Phenol was to be produced by direct oxidation of benzene with environment-friendly oxidants like hydrogen peroxide, oxygen, or ozone. Catalysts were amorphous microporous mixed oxides whose properties can be selected directly in the sol-gel synthesis process. Apart from benzene, also cyclohexane was oxidized with ozone using AMM catalysts in order to get more information on the potential of ozone as oxidant in heterogeneously catalyzed reactions. [German] Ziel dieser Arbeit war die Herstellung von Phenol durch die Direktoxidation von Benzol mit umweltfreundlichen Oxidationsmitteln wie Wasserstoffperoxid, Sauerstoff oder Ozon. Als Katalysatoren dienten amorphe mikroporoese Mischoxide, da deren Eigenschaften direkt in der Synthese durch den Sol-Gel-Prozess gezielt eingestellt werden koennen. Neben Benzol wurde auch Cyclohexan mit Ozon unter der Verwendung von AMM-Katalysatoren oxidiert, um das Potential von Ozon als Oxiationsmittel in heterogen katalysierten Reaktionen naeher zu untersuchen. (orig.)

  5. cis-[1,4-Bis(diphenylphosphanylbutane-κ2P,P′]dichlorido(cyclohexane-1,2-diamine-κ2N,N′ruthenium(II dichloromethane monosolvate

    Directory of Open Access Journals (Sweden)

    Ismail Warad

    2012-05-01

    Full Text Available In the title compound, [RuCl2(C6H14N2(C28H28P2]·CH2Cl2, the RuII ion is coordinated in a slightly distorted octahedral environment, formed by two cis-oriented chloride ligands, two cis P atoms of a 1,4-bis(diphenylphosphanylbutane ligand and two cis-chelating N atoms of a bidentate cyclohexane-1,2-diamine ligand. In the crystal, pairs of molecules form inversion dimers via N—H...Cl hydrogen bonds. In addition, intramolecular N—H...Cl and weak C—H...Cl, C—H...N, N—H...π and C—H...π hydrogen bonds are observed. One of the Cl atoms of the solvent molecule is disordered over two sites with refined occupancies of 0.62 (1 and 0.38 (1.

  6. Solvent substitutes

    International Nuclear Information System (INIS)

    Evanoff, S.P.

    1995-01-01

    The environmental and industrial hygiene regulations promulgated since 1980, most notably the Superfund Amendments and Reauthorization Act (SARA), the Hazardous and Solid Waste Amendments to the Resources Conservation and Recovery Act (RCRA), and the Clean Air Act Amendments of 1990, have brought about an increased emphasis on user exposure, hazardous waste generation, and air emissions. As a result, industry is performing a fundamental reassessment of cleaning solvents, processes, and procedures. The more progressive organizations have made their goal the elimination of solvents that may pose significant potential human health and environmental hazards. This chapter discusses solvent cleaning in metal-finishing, metal-manufacturing, and industrial maintenance applications; precision cleaning; and electronics manufacturing. Nonmetallic cleaning, adhesives, coatings, inks, and aerosols also will be addressed, but in a more cursory manner

  7. Radiation destruction of vitamin A in lipid solvents

    International Nuclear Information System (INIS)

    Snauwaert, F.; Maes, E.; Tobback, P.; Bhushan, B.

    1978-01-01

    The radiation response of vitamin A alcohol and its acetate derivative was compared in different lipid solvents. In all the solvents vitamin A alcohol exhibited a much higher radiation sensitivity than its ester counterpart. The nature of the solvent and the initial concentration was found to have a great influence on the extent of radiation degradation of vitamin A alcohol. In contrast to a high radiolability in non-polar solvents, vitamin A alcohol exhibited a remarkable stability in isopropanol. In addition, in isopropanol the G(-) relationship with radiation dose showed a reverse trend to that observed for other solvents. A thin-layer chromatographic procedure was developed for separation of the radiation degradation products. (author)

  8. Liquid crystalline phases in suspensions of pigments in non-polar solvents

    Science.gov (United States)

    Klein, Susanne; Richardson, Robert M.; Eremin, Alexey

    We will discuss colloid suspensions of pigments and compare their electro-optic properties with those of traditional dyed low molecular weight liquid crystal systems. There are several potential advantages of colloidal suspensions over low molecular weight liquid crystal systems: a very high contrast because of the high orientational order parameter of suspensions of rod shaped nano-particles, the excellent light fastness of pigments as compared to dyes and high colour saturations resulting from the high loading of the colour stuff. Although a weak `single-particle' electro-optic response can be observed in dilute suspensions, the response is very much enhanced when the concentration of the particles is sufficient to lead to a nematic phase. Excellent stability of suspensions is beneficial for experimental observation and reproducibility, but it is a fundamental necessity for display applications. We therefore discuss a method to achieve long term stability of dispersed pigments and the reasons for its success. Small angle X-ray scattering was used to determine the orientational order parameter of the suspensions as a function of concentration and the dynamic response to an applied electric field. Optical properties were investigated for a wide range of pigment concentrations. Electro-optical phenomena, such as field-induced birefringence and switching, were characterised. In addition, mixtures of pigment suspensions with small amounts of ferrofluids show promise as future magneto-optical materials.

  9. (Liquid + liquid) equilibria for ternary mixtures of (water + propionic acid + organic solvent) at T = 303.2 K

    International Nuclear Information System (INIS)

    Ghanadzadeh, H.; Ghanadzadeh Gilani, A.; Bahrpaima, Kh.; Sariri, R.

    2010-01-01

    Experimental tie-line results and phase diagrams were obtained for the ternary systems of {water + propionic acid + organic solvent (cyclohexane, toluene, and methylcyclohexane)} at T = 303.2 K and atmospheric pressure. The organic solvents were two cycloaliphatic hydrocarbons (i.e., cyclohexane and methylcyclohexane) and an aromatic hydrocarbon (toluene). The experimental tie-lines values were also compared with those calculated by the UNIQUAC and NRTL models. The consistency of the values of the experimental tie-lines was determined through the Othmer-Tobias and Hands plots. Distribution coefficients and separation factors were evaluated over the immiscibility regions and a comparison of the extracting capabilities of the solvents was made with respect to distribution coefficients and separation factors. The Kamlet LSER model was applied to correlate distribution coefficients and separation factors in these ternary systems. The LSER model values showed a good regression to the experimental results.

  10. Spectroscopic and DFT study of solvent effects on the electronic absorption spectra of sulfamethoxazole in neat and binary solvent mixtures

    Science.gov (United States)

    Almandoz, M. C.; Sancho, M. I.; Blanco, S. E.

    2014-01-01

    The solvatochromic behavior of sulfamethoxazole (SMX) was investigated using UV-vis spectroscopy and DFT methods in neat and binary solvent mixtures. The spectral shifts of this solute were correlated with the Kamlet and Taft parameters (α, β and π*). Multiple lineal regression analysis indicates that both specific hydrogen-bond interaction and non specific dipolar interaction play an important role in the position of the absorption maxima in neat solvents. The simulated absorption spectra using TD-DFT methods were in good agreement with the experimental ones. Binary mixtures consist of cyclohexane (Cy)-ethanol (EtOH), acetonitrile (ACN)-dimethylsulfoxide (DMSO), ACN-dimethylformamide (DMF), and aqueous mixtures containing as co-solvents DMSO, ACN, EtOH and MeOH. Index of preferential solvation was calculated as a function of solvent composition and non-ideal characteristics are observed in all binary mixtures. In ACN-DMSO and ACN-DMF mixtures, the results show that the solvents with higher polarity and hydrogen bond donor ability interact preferentially with the solute. In binary mixtures containing water, the SMX molecules are solvated by the organic co-solvent (DMSO or EtOH) over the whole composition range. Synergistic effect is observed in the case of ACN-H2O and MeOH-H2O, indicating that at certain concentrations solvents interact to form association complexes, which should be more polar than the individual solvents of the mixture.

  11. Synthesis of tetrahydrokhusitone. Annulation of the cyclohexane ring by free radical and carbanionic sequence of reactions

    Directory of Open Access Journals (Sweden)

    ZIVORAD CEKOVIC

    2003-05-01

    Full Text Available The synthesis of norcadinane sesquiterpene tetrahydrokhusitone 1 has been achieved by a new method for annulation of cyclohexane ring involving a sequence of free radical d-alkylation of the non-activated carbon atom and intramolecular carbanionic alkylation. (–-Menthol was used as the starting compound.

  12. Cyclohexane selective photocatalytic oxidation by anatase TiO2: influence of particle size and crystallinity

    NARCIS (Netherlands)

    Carneiro, J.T.; Carneiro, Joana T.; Almeida, A.R.; Almeida, Ana R.; Moulijn, Jacob A.; Mul, Guido

    2010-01-01

    A systematic study is presented on the effect of crystallite size of Anatase (Hombikat, Sachtleben), varied by calcination at different temperatures up to 800 °C, on photocatalytic activity in cyclohexane selective oxidation. Two different reactors were used to test the materials: a top illumination

  13. The effect of Au on TiO2 catalyzed selective photocatalytic oxidation of cyclohexane

    NARCIS (Netherlands)

    Carneiro, J.T.; Carneiro, Joana T.; Savenije, Tom J.; Moulijn, Jacob A.; Mul, Guido

    2011-01-01

    Gold does not induce visible light activity of anatase Hombikat UV100 in the selective photo-oxidation of cyclohexane, as can be concluded from in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) measurements. Extremely small conductance values measured at 530 nm in Time

  14. How Gold Deposition Affects Anatase Performance in the Photo-catalytic Oxidation of Cyclohexane

    NARCIS (Netherlands)

    Carneiro, J.T.; Carneiro, Joana T.; Yang, Chieh-Chao; Moma, John A.; Moulijn, Jacob A.; Mul, Guido

    2009-01-01

    Gold deposition on Hombikat UV100 was found to negatively affect the activity of this Anatase catalyst in selective photo-oxidation of cyclohexane. By ammonia TPD and DRIFT spectroscopy it was determined that the Au deposition procedure leads to a significant decrease in OH-group density (mol m−2

  15. Efficient Aerobic Oxidation of Cyclohexane to KA Oil Catalyzed by Pt ...

    Indian Academy of Sciences (India)

    127, No. 7, July 2015, pp. 1167–1172. c Indian Academy of Sciences. ... The catalyst was used for the partial oxidation of cyclohexane in a Parr type reactor. It was found that Pt-Sn supported on MWCNTs can act as an efficient catalyst for the partial ... version ratio with high selectivity for KA oil in a liquid ... These gases.

  16. Benzimidazoles as benzamide replacements within cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists.

    Science.gov (United States)

    Cherney, Robert J; Mo, Ruowei; Meyer, Dayton T; Pechulis, Anthony D; Guaciaro, Michael A; Lo, Yvonne C; Yang, Gengjie; Miller, Persymphonie B; Scherle, Peggy A; Zhao, Qihong; Cvijic, Mary Ellen; Barrish, Joel C; Decicco, Carl P; Carter, Percy H

    2012-10-01

    We describe the design, synthesis, and evaluation of benzimidazoles as benzamide replacements within a series of trisubstituted cyclohexane CCR2 antagonists. 7-Trifluoromethylbenzimidazoles displayed potent binding and functional antagonism of CCR2 while being selective over CCR3. These benzimidazoles were also incorporated into lactam-containing antagonists, thus completely eliminating the customary bis-amide. Copyright © 2012 Elsevier Ltd. All rights reserved.

  17. SOLUTION THERMODYNAMICS OF TRICLOSAN AND TRICLOCARBAN IN SOME VOLATILE ORGANIC SOLVENTS

    OpenAIRE

    DELGADO, Daniel R.; R. HOLGUIN, Andres; MARTÍNEZ, Fleming

    2012-01-01

    Thermodynamic functions of Gibbs energy, enthalpy, and entropy for the solution processes of the antimicrobial drugs Triclosan and Triclocarban in five volatile organic solvents were calculated from solubility values at temperatures from 293.15 to 313.15 K. Triclosan and Triclocarban solubility was determined in acetone, acetonitrile (AcCN), ethyl acetate (AcOEt), methanol (MetOH), and cyclohexane (CH). The excess of Gibbs energy and the activity coefficients of the solutes were also calculat...

  18. Studying the response of CR-39 to radon in non-polar liquids above water by Monte Carlo simulation and measurement

    International Nuclear Information System (INIS)

    Rezaie, Mohammad Reza; Sohrabi, Mehdi; Negarestani, Ali

    2013-01-01

    The application of CR-39 has been extensive for measurement of radon and progeny in air of dwellings, but limited as regards to measurements of radon in water. In this paper, a new method is introduced for efficient measurement of radon in water by registering alpha particle tracks in a CR-39 detector placed in a non-polar medium such as cyclohexane, hexane and olive oil when each mixed with water, then separated and fixed above water, as a two-phase media. The method introduced here is however different from the widely used liquid - liquid extraction technique by liquid scintillation spectrometry since it is a passive detection method (CR-39) in a non-polar liquid with enhanced absorption of radon in the liquid, it has a capability for long sample counting to decrease the minimum detection limit (MDL), it does not require sophisticated low light counting systems, and it has the potential for simultaneous measurements of large number of samples for large-scale applications. It also has a low cost and is readily available. A new Monte Carlo calculation of energy-distance travelled by alphas from radon and progeny in a medium was also investigated. The sensitivity of CR-39 detector to radon and progeny in water was determined under two conditions; in a single-phase and two-phase media. In a single-phase medium, CR-39 is directly placed either in air, water, cyclohexane, hexane or olive oil. When CR-39 is placed directly in water, its sensitivity is (2.4 ± 0.1) × 10 −4 (track/cm 2 )/(Bq.d/m 3 ). In the two-phase media, CR-39 is placed either in cyclohexane, hexane or olive oil when each is fixed above water. The sensitivities in the two-phase media are significantly enhanced and are respectively (1.98 ± 0.10) × 10 −2 , (2.8 ± 0.15) × 10 −2 and (2.86 ± 0.15) × 10 −2 (track/cm 2 )/(Bq.d/m 3 ). The sensitivies are about 76, 82 and 110 times more than that of when CR-39 is directly placed in water. The new method is a novel alternative for radon

  19. Charging and Screening in Nonpolar Solutions of Nonionizable Surfactants

    Science.gov (United States)

    Behrens, Sven

    2010-03-01

    Nonpolar liquids do not easily accommodate electric charges, but surfactant additives are often found to dramatically increase the solution conductivity and promote surface charging of suspended colloid particles. Such surfactant-mediated electrostatic effects have been associated with equilibrium charge fluctuations among reverse surfactant micelles and in some cases with the statistically rare ionization of individual surfactant molecules. Here we present experimental evidence that even surfactants without any ionizable group can mediate charging and charge screening in nonpolar oils, and that they can do so at surfactant concentrations well below the critical micelle concentration (cmc). Precision conductometry, light scattering, and Karl-Fischer titration of sorbitan oleate solutions in hexane, paired with electrophoretic mobility measurements on suspended polymer particles, reveal a distinctly electrostatic action of the surfactant. We interpret our observations in terms of a charge fluctuation model and argue that the observed charging processes are likely facilitated, but not limited, by the presence of ionizable impurities.

  20. Nanoencapsulation of Fullerenes in Organic Structures with Nonpolar Cavities

    International Nuclear Information System (INIS)

    Murthy, C. N.

    2005-01-01

    The formation of supramolecular structures, assemblies, and arrays held together by weak intermolecular interactions and non-covalent binding mimicking natural processes has been used in applications being anticipated in nanotechnology, biotechnology and the emerging field of nanomedicine. Encapsulation of C 60 fullerene by cyclic molecules like cyclodextrins and calixarenes has potential for a number of applications. Similarly, biomolecules like lysozyme also have been shown to encapsulate C 60 fullerene. This poster article reports the recent trends and the results obtained in the nanoencapsulation of fullerenes by biomolecules containing nonpolar cavities. Lysozyme was chosen as the model biomolecule and it was observed that there is no covalent bond formed between the bimolecule and the C 60 fullerene. This was confirmed from fluorescence energy transfer studies. UV-Vis studies further supported this observation that it is possible to selectively remove the C 60 fullerene from the nonpolar cavity. This behavior has potential in biomedical applications

  1. Stability studies of colloidal silica dispersions in binary solvent mixtures

    International Nuclear Information System (INIS)

    Bean, Keith Howard

    1997-01-01

    A series of monodispersed colloidal silica dispersions, of varying radii, has been prepared. These particles are hydrophilic in nature due to the presence of surface silanol groups. Some of the particles have been rendered hydrophobic by terminally grafting n-alkyl (C 18 ) chains to the surface. The stability of dispersions of these various particles has been studied in binary mixtures of liquids, namely (i) ethanol and cyclohexane, and (ii) benzene and n-heptane. The ethanol - cyclohexane systems have been studied using a variety of techniques. Adsorption excess isotherms have been established and electrophoretic mobility measurements have been made. The predicted stability of the dispersions from D.V.L.O. calculations is compared to the observed stability. The hydrophilic silica particles behave as predicted by the calculations, with the zeta potential decreasing and the van der Waals attraction increasing with increasing cyclohexane concentration. The hydrophobic particles behave differently than expected, and the stability as a function of solvent mixture composition does not show a uniform trend. The effect of varying the coverage of C 18 chains on the surface and the effect of trace water in the systems has also been investigated. Organophilic silica dispersions in benzene - n-heptane solvent mixtures show weak aggregation and phase separation into a diffuse 'gas-like' phase and a more concentrated 'liquid-like' phase, analogous to molecular condensation processes. Calculations of the van der Waals potential as a function of solvent mixture composition show good agreement with the observed stability. Determination of the number of particles in each phase at equilibrium allows the energy of flocculation to be determined using a simple thermodynamic relationship. Finally, the addition of an AB block copolymer to organophilic silica particles in benzene n-heptane solvent mixtures has been shown to have a marked effect on the dispersion stability. This stability

  2. Densities, viscosities, and isobaric heat capacities of the system (1-butanol + cyclohexane) at high pressures

    International Nuclear Information System (INIS)

    Torín-Ollarves, Geraldine A.; Martín, M. Carmen; Chamorro, César R.; Segovia, José J.

    2014-01-01

    Highlights: • The densities of cyclohexane and its mixtures with 1-butanol were measured. • The excess molar volumes were calculated and correlated. • The viscosities were measured at atmospheric pressure. • The isobaric heat capacities were measured at p = (0.1 to 25) MPa at T = (293.15 and 313.15) K. • A positive deviation from the ideal behavior is observed. - Abstract: The cyclohexane and the system of 1-butanol + cyclohexane have been characterized using densities, viscosities and isobaric heat capacities measurements. For that, the densities were measured in a high-pressure vibrating tube densimeter at five temperatures from (293.15 to 333.15) K and pressures up to 100 MPa. The measurements were correlated with the empirical Tamman–Tait equation. Moreover, the isobaric heat capacities of the binary system were measured in a high-pressure automated flow calorimeter at T = (293.15 and 313.15) K and pressures up to 25 MPa for pure cyclohexane and in admixture with 1-butanol. The excess molar heat capacities were assessed for the mixture and a positive deviation from the ideality was obtained, except for a small part in the region rich in alkanol. The viscosity measurements were carried out, at the calorimeter conditions, for correcting the experimental values of isobaric heat capacities due to friction along the tube. The viscosity was measured at atmospheric pressure in a Stabinger Anton Paar SVM 3000 viscometer in the temperature range of (293.15 to 333.15) K for cyclohexane and the mixtures. At high pressure, the viscosities were estimated using Lucas method

  3. Photonic Crystal Polarizing and Non-Polarizing Beam Splitters

    International Nuclear Information System (INIS)

    Chun-Ying, Guan; Jin-Hui, Shi; Li-Boo, Yuan

    2008-01-01

    A polarizing beam splitter (PBS) and a non-polarizing beam splitter (NPBS) based on a photonic crystal (PC) directional coupler are demonstrated. The photonic crystal directional coupler consists of a hexagonal lattice of dielectric pillars in air and has a complete photonic band gap. The photonic band structure and the band gap map are calculated using the plane wave expansion (PWE) method. The splitting properties of the splitter are investigated numerically using the finite difference time domain (FDTD) method

  4. The influence of molecular architecture and solvent type on the size and structure of poly(benzyl ether) dendrimers by SANS

    NARCIS (Netherlands)

    Evmenenko, G.; Bauer, B.J.; Kleppinger, R.; Forier, B.; Dehaen, W.; Amis, E.J.; Mischenko, N.; Reynaers, H.

    2001-01-01

    The size of poly(benzyl ether) dendrimers with different molecular architectures was measured by small angle neutron scattering (SANS). Both polar and non-polar solvents were used to measure the effect of solvent type. The radius of gyration (Rg) of all of the dendrimers follows a scaling law of Rg

  5. Self-Assembly of Block and Graft Copolymers in Organic Solvents: An Overview of Recent Advances

    Directory of Open Access Journals (Sweden)

    Leonard Ionut Atanase

    2018-01-01

    Full Text Available This review is an attempt to update the recent advances in the self-assembly of amphiphilic block and graft copolymers. Their micellization behavior is highlighted for linear AB, ABC triblock terpolymers, and graft structures in non-aqueous selective polar and non-polar solvents, including solvent mixtures and ionic liquids. The micellar characteristics, such as particle size, aggregation number, and morphology, are examined as a function of the copolymers’ architecture and molecular characteristics.

  6. Breaking the polar-nonpolar division in solvation free energy prediction.

    Science.gov (United States)

    Wang, Bao; Wang, Chengzhang; Wu, Kedi; Wei, Guo-Wei

    2018-02-05

    Implicit solvent models divide solvation free energies into polar and nonpolar additive contributions, whereas polar and nonpolar interactions are inseparable and nonadditive. We present a feature functional theory (FFT) framework to break this ad hoc division. The essential ideas of FFT are as follows: (i) representability assumption: there exists a microscopic feature vector that can uniquely characterize and distinguish one molecule from another; (ii) feature-function relationship assumption: the macroscopic features, including solvation free energy, of a molecule is a functional of microscopic feature vectors; and (iii) similarity assumption: molecules with similar microscopic features have similar macroscopic properties, such as solvation free energies. Based on these assumptions, solvation free energy prediction is carried out in the following protocol. First, we construct a molecular microscopic feature vector that is efficient in characterizing the solvation process using quantum mechanics and Poisson-Boltzmann theory. Microscopic feature vectors are combined with macroscopic features, that is, physical observable, to form extended feature vectors. Additionally, we partition a solvation dataset into queries according to molecular compositions. Moreover, for each target molecule, we adopt a machine learning algorithm for its nearest neighbor search, based on the selected microscopic feature vectors. Finally, from the extended feature vectors of obtained nearest neighbors, we construct a functional of solvation free energy, which is employed to predict the solvation free energy of the target molecule. The proposed FFT model has been extensively validated via a large dataset of 668 molecules. The leave-one-out test gives an optimal root-mean-square error (RMSE) of 1.05 kcal/mol. FFT predictions of SAMPL0, SAMPL1, SAMPL2, SAMPL3, and SAMPL4 challenge sets deliver the RMSEs of 0.61, 1.86, 1.64, 0.86, and 1.14 kcal/mol, respectively. Using a test set of 94

  7. Polibutadieno alto-cis: estudo viscosimétrico em tolueno e ciclo-hexano High-cis polybutadiene: viscometric study in toluene and cyclohexane

    Directory of Open Access Journals (Sweden)

    Ivana L. Mello

    2006-03-01

    toluene and cyclohexane solutions, at 30 °C, were carried out on high-cis polybutadiene synthesized with neodymium catalysts. Six different equations were employed to calculate intrinsic viscosity values and viscometric constants: Huggins; Kraemer; Martin and Schulz-Blaschke, by graphic extrapolation; and Solomon-Ciuta; Deb-Chanterjee; and again Schulz-Blaschke, by single point determination. The values obtained for intrinsic viscosity in both solvents and also the molecular weight (in toluene, calculated by applying Mark-Houwink-Sakurada equation, were compared in order to verify the validity of single point determination, which was confirmed. Solomon-Ciuta equation seemed to be suitable for toluene solutions whereas the Deb-Chanterjee equation was adequate for cyclohexane solutions. End-to-end distances of polymeric chains were also determined by applying Flory equation. Based on the higher values of intrinsic viscosity and end-to-end distance of polymeric chains for all samples in toluene, the latter was found to be better solvent than cyclohexane for polybutadiene.

  8. Aggregation Number in Water/n-Hexanol Molecular Clusters Formed in Cyclohexane at Different Water/n-Hexanol/Cyclohexane Compositions Calculated by Titration 1H NMR.

    Science.gov (United States)

    Flores, Mario E; Shibue, Toshimichi; Sugimura, Natsuhiko; Nishide, Hiroyuki; Moreno-Villoslada, Ignacio

    2017-11-09

    Upon titration of n-hexanol/cyclohexane mixtures of different molar compositions with water, water/n-hexanol clusters are formed in cyclohexane. Here, we develop a new method to estimate the water and n-hexanol aggregation numbers in the clusters that combines integration analysis in one-dimensional 1 H NMR spectra, diffusion coefficients calculated by diffusion-ordered NMR spectroscopy, and further application of the Stokes-Einstein equation to calculate the hydrodynamic volume of the clusters. Aggregation numbers of 5-15 molecules of n-hexanol per cluster in the absence of water were observed in the whole range of n-hexanol/cyclohexane molar fractions studied. After saturation with water, aggregation numbers of 6-13 n-hexanol and 0.5-5 water molecules per cluster were found. O-H and O-O atom distances related to hydrogen bonds between donor/acceptor molecules were theoretically calculated using density functional theory. The results show that at low n-hexanol molar fractions, where a robust hydrogen-bond network is held between n-hexanol molecules, addition of water makes the intermolecular O-O atom distance shorter, reinforcing molecular association in the clusters, whereas at high n-hexanol molar fractions, where dipole-dipole interactions dominate, addition of water makes the intermolecular O-O atom distance longer, weakening the cluster structure. This correlates with experimental NMR results, which show an increase in the size and aggregation number in the clusters upon addition of water at low n-hexanol molar fractions, and a decrease of these magnitudes at high n-hexanol molar fractions. In addition, water produces an increase in the proton exchange rate between donor/acceptor molecules at all n-hexanol molar fractions.

  9. Phospholipid electrospun nanofibers: effect of solvents and co-axial processing on morphology and fiber diameter

    DEFF Research Database (Denmark)

    Jørgensen, Lars; Qvortrup, Klaus; Chronakis, Ioannis S.

    2015-01-01

    Asolectin phospholipid nano-microfibers were prepared using electrospinning processing. The asolectin fibers were studied by scanning electron microscopy, and the fiber morphology was found to be strongly dependent on the phospholipid concentration and the solvents used. The solvents studied were...... chloroform : dimethylformamide (CHCl3 : DMF, 3 : 2 v/v), isooctane, cyclohexane and limonene, producing phospholipid fibers with average diameters in the range of 2.57 +/- 0.59 mu m, similar to 3-8 mu m, similar to 4-5 mu m and 14.3 +/- 2.7 mu m, respectively. The diameter of asolectin electrospun fibers...... solvent and the inner needle contains the asolectin solution in CHCl3: DMF, a substantial reduction in the average fiber diameter was observed. In particular, the average diameter of the fibers when DMF (a solvent with a high dielectric constant) was used as a sheath solvent was reduced by a factor...

  10. Synthesis of SERS active Au nanowires in different noncoordinating solvents

    Energy Technology Data Exchange (ETDEWEB)

    Hou Xiaomiao; Zhang Xiaoling, E-mail: zhangxl@bit.edu.cn [Key Laboratory of Cluster Science of Ministry of Education, Beijing Institute of Technology, Department of Chemistry, School of Science (China); Fang Yan, E-mail: fangyan@mail.cnu.edu.cn [Beijing Key Laboratory for Nano-Photonics and Nano-Structure (NPNS), Capital Normal University (China); Chen Shutang; Li Na; Zhou Qi [Key Laboratory of Cluster Science of Ministry of Education, Beijing Institute of Technology, Department of Chemistry, School of Science (China)

    2011-06-15

    Au nanowires with length up to micrometers were synthesized through a simple and one-pot solution growth method. HAuCl{sub 4} was reduced in a micellar structure formed by 1-octadecylamine and oleic acid in hexane, heptane, toluene and chloroform, respectively. As the non-polarity of noncoordinating solvents can affect the nucleation and growth rates of Au nanostructures, Au nanowires with different diameters could be obtained by changing the noncoordinating solvents in the synthetic process. The influences of the solvents on the morphology of Au nanowires were systematically studied. When using hexane as reaction solvent, the product turned to be high portion of Au nanowires with more uniform size than the others. Furthermore, surface-enhanced Raman scattering (SERS) spectrum of 2-thionaphthol was obtained on the Au nanowire-modified substrate, indicating that the as-synthesized Au nanowires have potential for highly sensitive optical detection application.

  11. Facile synthesis of the cyclohexane fragment of enacloxins, a series of antibiotics isolated from Frateuria sp. W-315.

    Science.gov (United States)

    Saito, Aki; Igarashi, Wataru; Furukawa, Hiroyuki; Yamada, Teiko; Kuwahara, Shigefumi; Kiyota, Hiromasa

    2014-01-01

    An efficient and good yield synthesis of the cyclohexane moiety of enacyloxins, a series of antibiotics isolated from Frateuria sp. W-315, was achieved from d-quinic acid using a successive Barton-McCombie deoxygenation.

  12. Assessing the attractive/repulsive force balance in axial cyclohexane C-Hax ···Yax contacts: A combined computational analysis in monosubstituted cyclohexanes.

    Science.gov (United States)

    Silva Lopez, Carlos; Nieto Faza, Olalla; De Proft, Frank; Kolocouris, Antonios

    2016-11-15

    The interactions of axial substituents in monosubstituted cyclohexane rings are studied in this work using an array of different computational techniques. Additionally, the anomalous axial preference for some bulky substituents is related to stabilizing dispersion interactions. We find that the C-H ax ···Y ax contacts for various substituents with distances ranging from 2 to ∼5 Å may include attractive dispersion forces that can affect the conformational equilibrium; these forces co-exist with Pauli repulsive forces effected by Y ax group due to van der Waals sphere penetration. At distances between 2 and 3 Å stabilizing electron transfer interactions were calculated and the combination of natural bond orbital and QTAIM analysis showed that, in certain cases, Y ax  =  t Bu, C ax -O or C ax  = O or S ax  = O or C ax  = S this interaction can be characterized as an improper H-bond. DFT-D3 and non-covalent interactions calculations (NCIs) in cyclohexane derivatives with Y ax  = SiOR 3 including H Yax ···H cy surfaces at distances ranging between 4 and 6 Å suggest that dispersion has a clear effect on the experimentally observed stabilization of the axial conformer. NCIs computed from the reduced density gradient help to visually identify and analyze these interactions. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  13. Exciplex fluorescence emission from simple organic intramolecular constructs in non-polar and highly polar media as model systems for DNA-assembled exciplex detectors.

    Science.gov (United States)

    Bichenkova, Elena V; Sardarian, Ali R; Wilton, Amanda N; Bonnet, Pascal; Bryce, Richard A; Douglas, Kenneth T

    2006-01-21

    Organic intramolecular exciplexes, N-(4-dimethylaminobenzyl)-N-(1-pyrenemethyl)amine (1) and N'-4-dimethylaminonaphthyl-N-(1-pyrenemethyl)amine (2), were used as model systems to reveal major factors affecting their exciplex fluorescence, and thus lay the basis for developing emissive target-assembled exciplexes for DNA-mounted systems in solution. These models with an aromatic pyrenyl hydrocarbon moiety as an electron acceptor appropriately connected to an aromatic dimethylamino electron donor component (N,N-dimethylaminophenyl or N,N-dimethylaminonaphthyl) showed strong intramolecular exciplex emission in both non-polar and highly polar solvents. The effect of dielectric constant on the maximum wavelength for exciplex emission was studied, and emission was observed for 1 and 2 over the full range of solvent from non-polar hydrocarbons up to N-methylformamide with a dielectric constant of 182. Quantum yields were determined for these intramolecular exciplexes in a range of solvents relative to that for Hoechst 33,258. Conformational analysis of 1 was performed both computationally and via qualitative 2D NMR using (1)H-NOESY experiments. The results obtained indicated the contribution of pre-folded conformation(s) to the ground state of 1 conducive to exciplex emission. This research provides the initial background for design of self-assembled, DNA-mounted exciplexes and underpins further development of exciplex-based hybridisation bioassays.

  14. Fundamental Flame Velocities of Pure Hydrocarbons I : Alkanes, Alkenes, Alkynes Benzene, and Cyclohexane

    Science.gov (United States)

    Gerstein, Melvin; Levine, Oscar; Wong, Edgar L

    1950-01-01

    The flame velocities of 37 pure hydrocarbons including normal and branched alkanes, alkenes, and alkynes; as well as benzene and cyclohexane, together with the experimental technique employed are presented. The normal alkanes have about the same flame velocity from ethane through heptane with methane being about 16 percent lower. Unsaturation increases the flame velocity in the order of alkanes, alkenes, and alkynes. Branching reduces the flame velocity.

  15. Radiation chemistry of a mixture of benzene and cyclohexane in presence of triphenyl stibine

    Energy Technology Data Exchange (ETDEWEB)

    Nazir, S B; Rai, R S [Birla Inst. of Tech. and Science, Pilani (India). Dept. of Chemistry

    1976-08-01

    Following previously reported work (Peterson et al. J. Phys. Chem.; 71: 4506 (1967)) on the radiolysis of triphenyl stibine in benzene from which it was concluded that the energy is absorbed by benzene and excited benzene molecules transfer their energy to the metal phenyl which does not decompose due to quenching and since benzene is a protective agent for cyclohexane against ..gamma.. radiation, a system consisting of benzene, cyclohexane and triphenyl stibine has been used to study the energy transfer processes and the nature of protection. It was found that /sup 60/C0 ..gamma.. radiolysis of cyclohexane in presence of 1 x 10/sup -2/M triphenyl stibine formed two isomers of pentane and hexane and hexene, methylcyclopentane, benzene and cyclohexene. G values of these products, except those of hexene and methylcyclopentane are negligible. All products except these two are eliminated in the radiolysis of this system in presence of benzene. G values of these products are reduced considerably. The mechanism of formation of these compounds and a sponge type protection have been postulated to explain the results.

  16. Extraction separation of toluene/cyclohexane with hollow fiber supported ionic liquid membrane

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Fan; Sun, Wei; Liu, Junteng; Zhang, Weidong; Ren, Zhongqi [Beijing University of Chemical Technology, Beijing (China)

    2014-06-15

    A supported liquid membrane with ionic liquid was used for the separation of toluene/cyclohexane. The interactions of ionic liquid with toluene and cyclohexane were calculated and experimentally studied by quantum chemical calculation and liquid-liquid extraction process. The results showed [BPy][BF{sub 4}] have stronger interaction with toluene than that with cyclohexane. The selectivity of SILM processes was larger than 10 at the temperature of 323 K and the flow rate of 13.5 mL·min{sup -1} on both shell side and lumen side. Due to the higher viscosity of IL, SILM process had good long-term stability. As the effects of mass transfer driving force of SILM process, the flux and removal efficiency increased with increase of initial toluene concentration, while the selectivity decreased because of the competitive transport. Base on the resistance in-series model and experimental results, the mass transfer resistance was mainly lay liquid membrane phase. The influence of flow rates on both sides was slight. The higher temperature could enhance the mass transfer performance significantly. The removal efficiency increased from 28.2% to 45.1% with the increasing of operation temperature from 298 K to 323 K.

  17. Heterogeneous biomimetic catalysis using iron porphyrin for cyclohexane oxidation promoted by chitosan

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Guan, E-mail: huangg66@126.com; Liu, Yao; Cai, Jing Li; Chen, Xiang Feng; Zhao, Shu Kai; Guo, Yong An; Wei, Su Juan; Li, Xu

    2017-04-30

    Graphical abstract: A biomimetic catalyst of iron-tetrakis(4-sulfonatophenyl)porphyrin immobilized on powdered chitosan achieves efficient cyclohexane oxidation with high ketone and alcohol yields. - Highlights: • Fe (TPPS)/pd-CTS is an excellent catalyst for cyclohexane oxidation. • Amino ligation alters the electron cloud density around the iron cation. • Amino coordination likely reduces the activation energy of Fe (TPPS). • The catalyst achieved 22.9 mol% yields of cyclohexanone and cyclohexanol. - Abstract: This study investigates how ligands modulate metalloporphyrin activity with the goal of producing a practical biomimetic catalyst for use in the chemical industry. We immobilized iron porphyrinate [iron-tetrakis-(4-sulfonatophenyl)-porphyrin; Fe(III) (TPPS)] on powdered chitosan (pd-CTS) to form an immobilized catalyst Fe(III) (TPPS)/pd-CTS, which was characterized using modern spectroscopic techniques and used for catalytic oxidation of cyclohexane with O{sub 2}. Amino coordination to iron porphyrin in Fe(III) (TPPS)/pd-CTS altered the electron cloud density around the iron cation, probably by reducing the activation energy of Fe(III) (TPPS) and raising the reactivity of the iron ion catalytic center, thereby improving the catalytic efficiency. One milligram of Fe(III) (TPPS) catalyst can be reused three times for the oxidation reaction to yield an average of 22.9 mol% of cyclohexanone and cyclohexanol.

  18. Parameterization of an empirical model for the prediction of n-octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients.

    Science.gov (United States)

    Zerara, Mohamed; Brickmann, Jürgen; Kretschmer, Robert; Exner, Thomas E

    2009-02-01

    Quantitative information of solvation and transfer free energies is often needed for the understanding of many physicochemical processes, e.g the molecular recognition phenomena, the transport and diffusion processes through biological membranes and the tertiary structure of proteins. Recently, a concept for the localization and quantification of hydrophobicity has been introduced (Jäger et al. J Chem Inf Comput Sci 43:237-247, 2003). This model is based on the assumptions that the overall hydrophobicity can be obtained as a superposition of fragment contributions. To date, all predictive models for the logP have been parameterized for n-octanol/water (logP(oct)) solvent while very few models with poor predictive abilities are available for other solvents. In this work, we propose a parameterization of an empirical model for n-octanol/water, alkane/water (logP(alk)) and cyclohexane/water (logP(cyc)) systems. Comparison of both logP(alk) and logP(cyc) with the logarithms of brain/blood ratios (logBB) for a set of structurally diverse compounds revealed a high correlation showing their superiority over the logP(oct) measure in this context.

  19. Solvent extraction of thorium(IV) with dibutyldithiophosphoric acid in various organic solvents

    International Nuclear Information System (INIS)

    Curtui, M.; Haiduc, I.

    1994-01-01

    The extraction of thorium(IV) from perchlorate solutions with di-n-butyldithiophosphoric acid (HBudtp) in various organic solvents occurs through an ion exchange mechanism. The extracted species in the organic phase is an eight-coordinate complex Th(Budtp) 4 . The higher values of the distribution ratio obtained in HBudtp-benzene-water system than in HBudtp-n-butanol-water system are explained by higher solubility of the complex species in nonpolar solvents. The position of the extraction curves in the pH-range lower than 0.7 reduces the complexation of thorium(IV) with Budtp - in the aqueous phase and also the hydrolysis process. (author) 8 refs.; 4 figs.; 1 tab

  20. Electrophoretic Retardation of Colloidal Particles in Nonpolar Liquids

    Directory of Open Access Journals (Sweden)

    Filip Strubbe

    2013-04-01

    Full Text Available We have measured the electrophoretic mobility of single, optically trapped colloidal particles, while gradually depleting the co-ions and counterions in the liquid around the particle by applying a dc voltage. This is achieved in a nonpolar liquid, where charged reverse micelles act as co-ions and counterions. By increasing the dc voltage, the mobility first increases when the concentrations of co-ions and counterions near the particle start to decrease. At sufficiently high dc voltage (around 2 V, the mobility reaches a saturation value when the co-ions and counterions are fully separated. The increase in mobility is larger when the equilibrium ionic strength is higher. The dependence of the experimental data on the equilibrium ionic strength and on the applied voltage is in good agreement with the standard theory of electrophoretic retardation, assuming that the bare particle charge remains constant. This method is useful for studying the electrophoretic retardation effect and charging mechanisms for nonpolar colloids, and it sheds light on previously unexplained particle acceleration in electronic ink devices.

  1. Product study of 1-adamantyl and 1-bicyclo[2.2.2]octyl radicals in hydrocarbon solvents. An unusually large hydrogen isotope effect

    International Nuclear Information System (INIS)

    Engel, P.S.; Chae, W.K.; Baughman, S.A.; Marschke, G.E.; Lewis, E.S.; Timberlake, J.W.; Luedtke, A.E.

    1983-01-01

    1-Adamantyl (ada.) and 1-bicyclo[2.2.2]octyl (bo.) radicals have been generated by photolysis of the corresponding azoalkanes in various hydrocarbon solvents. Both radicals abstract hydrogen readily from saturated hydrocarbons and they add to aromatic rings much faster than tert-butyl. does. Despite its reactivity, ada. is remarkably selective in hydrogen atom abstraction, preferring a benzylic hydrogen 25:1 over a cyclohexane hydrogen. The effect of solvent viscosity indicates that formation of the radical dimers biada and bibo occurs in the solvent cage. The most striking result of this work is a deuterium isotope effect of 25 for hydrogen transfer from cyclohexane to ada. at 65 0 C. Steric compression in the transition state is postulated to cause an unusually large tunnel correction and hence a large k/sub H//k/sub D/. 6 tables

  2. Biotransformation of citrinin to decarboxycitrinin using an organic solvent-tolerant marine bacterium, Moraxella sp. (MB1)

    Digital Repository Service at National Institute of Oceanography (India)

    PrabhaDevi; Naik, C.G.; Rodrigues, C.

    and Bhosle, 2003), are reported to grow in media containing various amounts of organic solvents (cyclohexane, p-xylene, 1-octanol, toluene, 1-heptanol, benzene etc.). These bacteria have mechanisms available to cope with the deleterious effects..., when compared to their chemical counterparts, offer the advantages of high selectivity and mild operating conditions. For example esterases are being increasingly recognized as useful for stereospecific manipulation of esters (Cornec et al., 1998...

  3. Bioremediation potential of a newly isolate solvent tolerant strain Bacillus thermophilus PS11

    Directory of Open Access Journals (Sweden)

    PAYEL SARKAR

    2012-01-01

    Full Text Available The increased generation of solvent waste has been stated as one of the most critical environmental problems. Though microbial bioremediation has been widely used for waste treatment but their application in solvent waste treatment is limited since the solvents have toxic effects on the microbial cells. A solvent tolerant strain of Bacillus thermophilus PS11 was isolated from soil by cyclohexane enrichment. Transmission electron micrograph of PS11 showed convoluted cell membrane and accumulation of solvents in the cytoplasm, indicating the adaptation of the bacterial strain to the solvent after 48h of incubation. The strain was also capable of growing in presence of wide range of other hydrophobic solvents with log P-values below 3.5. The isolate could uptake 50 ng/ml of uranium in its initial 12h of growth, exhibiting both solvent tolerance and metal resistance property. This combination of solvent tolerance and metal resistance will make the isolated Bacillus thermophilus PS11 a potential tool for metal bioremediation in solvent rich wastewaters.

  4. Determination and correlation of solubility and thermodynamic properties of pyraclostrobin in pure and binary solvents

    International Nuclear Information System (INIS)

    Yang, Peng; Du, Shichao; Qin, Yujia; Zhao, Kaifei; Li, Kangli; Hou, Baohong; Gong, Junbo

    2016-01-01

    Highlights: • The solubility data of pyraclostrobin in pure and binary solvents were determined and correlated. • The theory of solubility parameter was used to explain the cosolvency in binary solvents. • A modified mixing rule was proposed to calculate the solubility parameter of binary solvents. • The dissolution thermodynamic properties were calculated and discussed. - Abstract: The solubility of pyraclostrobin in five pure solvents and two binary solvent mixtures was measured from 283.15 K to 308.15 K using a static analytical method. Solubility in five pure solvents was well correlated by the modified Apelblat equation and Wilson model. While the CNIBS/R–K model was applied to correlate the solubility in two binary solvent mixtures, the correlation showed good agreement with experimental results. The solubility of pyraclostrobin reaches its maximum value at a certain cyclohexane mole fraction in the two binary solvent mixtures. The solubility parameter of pyraclostrobin was calculated by the Fedors method and a new modified mixing rule with preferable applicability was proposed to determine the solubility parameter of solvents. Then the co-solvency in the binary solvent mixtures can be explained based on the obtained solubility parameters. In a addition, the dissolution thermodynamic properties were calculated from the experimental values using the Wilson model.

  5. Effect of Solvents on the Product Distribution and Reaction Rate of a Buchwald-Hartwig Amination Reaction

    DEFF Research Database (Denmark)

    Christensen, H.; Kiil, Søren; Dam-Johansen, Kim

    2006-01-01

    The Buchwald-Hartwig amination reaction between p-bromotoluene and piperazine in the presence of the homogeneous catalytic system Pd(dba)(2)/(+/-)-BINAP and the base NaO-t-Bu was investigated in two different classes of solvents: aprotic, nonpolar and aprotic, polar. The reaction was carried out...... solvent for the Buchwald-Hartwig amination reaction under the conditions applied was m-xylene....

  6. Molecular design for nonpolar chiral-axial quadratic nonlinear optics

    Science.gov (United States)

    Wiggers, Gregory A.

    In this thesis the hyperpolarizability of various multi-dimensional molecules is studied theoretically/computationally, with particular focus on the second-rank Kleinman-disallowed (KD) component of the hyperpolarizability. This component, which transforms as a second-rank traceless symmetric tensor, could be utilized in certain chiral-axial molecular alignment schemes to produce a bulk response. Nonpolar chiral-axial systems have been proposed in contrast to polar media, which utilize the vector component of the molecular hyperpolarizability and require parallel alignment of the molecular dipoles. Such parallel alignment of dipoles must be "frozen in" in order to overcome the natural tendency for dipoles to align anti-parallel. This limits the density of chromophores that can be loaded into a polar material. Nonpolar materials do not have such limits in theory. The two geometric classes of molecules that can most easily be incorporated into nonpolar chiral-uniaxial materials are propeller-shaped (C3 or D3 symmetry) and Λ-shaped (C2v symmetry). This work describes efforts to design molecules within these classes that would be suitable for bulk NLO materials. The sum-over-states (SOS) expression is used to model the molecular hyperpolarizability, and quantum chemical calculations, along with linear absorption data (when available) provide the necessary parameters to evaluate truncated forms of the SOS expression. A host of chemical and geometric modifications will be considered in order to elucidate important structure/function relationships. Also, the SOS model will be tested in some cases when experimental measurements (via Kleinman-disallowed hyper-Rayleigh scattering) are available. While a majority of this work focuses on multi-dimensional molecules, a small section deals with the question of optimizing the hyperpolarizability of a one-dimensional system. It is suggested that the recently-proposed idea of "modulated conjugation" as a means for improving

  7. A Correlation between the Activity of Candida antarctica Lipase B and Differences in Binding Free Energies of Organic Solvent and Substrate

    DEFF Research Database (Denmark)

    Banik, Sindrila Dutta; Nordblad, Mathias; Woodley, John

    2016-01-01

    in an inhibitory effect which is also confirmed by the binding free energies for the solvent and substrate molecules estimated from the simulations. Consequently, the catalytic activity of CALB decreases in polar solvents. This effect is significant, and CALB is over 10 orders of magnitude more active in nonpolar...... of the enzyme may be ascribed to binding of solvent molecules to the enzyme active site region and the solvation energy of substrate molecules in the different solvents. Polar solvent molecules interact strongly with CALB and compete with the substrate to bind to the active site region, resulting...

  8. The effect of various solvents on the back channel of solution-processed In-Ga-Zn-O thin-film transistors intended for biosensor applications

    International Nuclear Information System (INIS)

    Kim, Si Joon; Jung, Joohye; Yoon, Doo Hyun; Kim, Hyun Jae

    2013-01-01

    This study investigated the effects of exposing solution-processed In-Ga-Zn-O (IGZO) thin-film transistors (TFTs), intended for biosensor applications, to various solvents. Various solvents, such as the nonpolar solvent chlorobenzene and the polar solvents ethanol and deionized (DI) water, were dropped and adsorbed on exposed IGZO channel surfaces. All IGZO TFT devices exhibited a negative threshold voltage shift and a sub-threshold swing degradation, without an accompanying degradation in field-effect mobility. These variations depended on the dielectric constant of the solvents; with the exception of the IGZO TFT device exposed to DI water, they all gradually returned to their initial states.

  9. Dielectric constant of polarizable, nonpolar fluids and suspensions

    International Nuclear Information System (INIS)

    Cichocki, B.; Felderhof, B.U.

    1988-01-01

    We study the dielectric constant of a polarizable, nonpolar fluid or suspension of spherical particles by use of a renormalized cluster expansion.The particles may have induced multipole moments of any order. We show that the Clausius-Mossotti formula results from a virtual overlap contribution. The corrections to the Clausius-Mossotti formula are expressed with the aid of a cluster expansion. The integrands of the cluster integrals are expressed in terms of two-body nodal connectors which incorporate all reflections between a pair of particles. We study the two- and three-body cluster integrals in some detail and show how these are related to the dielectric virial expansion and to the first term of the Kirkwood-Yvon expansion

  10. The Thermodynamics of Anion Complexation to Nonpolar Pockets.

    Science.gov (United States)

    Sullivan, Matthew R; Yao, Wei; Tang, Du; Ashbaugh, Henry S; Gibb, Bruce C

    2018-02-08

    The interactions between nonpolar surfaces and polarizable anions lie in a gray area between the hydrophobic and Hofmeister effects. To assess the affinity of these interactions, NMR and ITC were used to probe the thermodynamics of eight anions binding to four different hosts whose pockets each consist primarily of hydrocarbon. Two classes of host were examined: cavitands and cyclodextrins. For all hosts, anion affinity was found to follow the Hofmeister series, with associations ranging from 1.6-5.7 kcal mol -1 . Despite the fact that cavitand hosts 1 and 2 possess intrinsic negative electrostatic fields, it was determined that these more enveloping hosts generally bound anions more strongly. The observation that the four hosts each possess specific anion affinities that cannot be readily explained by their structures, points to the importance of counter cations and the solvation of the "empty" hosts, free guests, and host-guest complexes, in defining the affinity.

  11. Measurement of Activity Coefficients of Solvents in Poly ( ethylene oxide ) Using Gas-Chromatographic Method and Correlation by Polymer-ASOG; Poriechirenokishido chu no yobai katsuryo keisu no gasukuromatogurafu ho ni yoru sokutei to Polymer-ASOG ni yoru sokan

    Energy Technology Data Exchange (ETDEWEB)

    Tochigi, K.; Kurita, S.; Ohashi, M. [Yuki Gosei Kogyo Co. LTd., (Japan); Kojima, K. [Nihon University, Tokyo (Japan). Department of Industrial Chemistry

    1997-09-01

    Infinite dilution activity coefficients (353.15-393.15 K) of six solvents (benzene, toluene, p-xylene, cyclohexane, acetone and methylethylketone) and activity coefficient at finite concentrations (353.15 K, 373.15 K) of these solvents in poly (ethylene oxide) are measured using gas-chromatographic method. The experimental data are then correlated by a polymer-ASOG model. 18 refs., 2 figs., 3 tabs.

  12. Molecular near-field antenna effect in resonance hyper-Raman scattering: Intermolecular vibronic intensity borrowing of solvent from solute through dipole-dipole and dipole-quadrupole interactions

    Energy Technology Data Exchange (ETDEWEB)

    Shimada, Rintaro; Hamaguchi, Hiro-o, E-mail: hhama@nctu.edu.tw [Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, 1001 University Road, Hsinchu 30010, Taiwan (China)

    2014-05-28

    We quantitatively interpret the recently discovered intriguing phenomenon related to resonance Hyper-Raman (HR) scattering. In resonance HR spectra of all-trans-β-carotene (β-carotene) in solution, vibrations of proximate solvent molecules are observed concomitantly with the solute β-carotene HR bands. It has been shown that these solvent bands are subject to marked intensity enhancements by more than 5 orders of magnitude under the presence of β-carotene. We have called this phenomenon the molecular-near field effect. Resonance HR spectra of β-carotene in benzene, deuterated benzene, cyclohexane, and deuterated cyclohexane have been measured precisely for a quantitative analysis of this effect. The assignments of the observed peaks are made by referring to the infrared, Raman, and HR spectra of neat solvents. It has been revealed that infrared active and some Raman active vibrations are active in the HR molecular near-field effect. The observed spectra in the form of difference spectra (between benzene/deuterated benzene and cyclohexane/deuterated cyclohexane) are quantitatively analyzed on the basis of the extended vibronic theory of resonance HR scattering. The theory incorporates the coupling of excited electronic states of β-carotene with the vibrations of a proximate solvent molecule through solute–solvent dipole–dipole and dipole–quadrupole interactions. It is shown that the infrared active modes arise from the dipole–dipole interaction, whereas Raman active modes from the dipole–quadrupole interaction. It is also shown that vibrations that give strongly polarized Raman bands are weak in the HR molecular near-field effect. The observed solvent HR spectra are simulated with the help of quantum chemical calculations for various orientations and distances of a solvent molecule with respect to the solute. The observed spectra are best simulated with random orientations of the solvent molecule at an intermolecular distance of 10 Å.

  13. 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.

  14. Radiation chemical yields for formation of molecular hydrogen in alcohols based on the cyclohexane ring

    International Nuclear Information System (INIS)

    Val'ter, A.I.; Kovalev, G.V.

    1989-01-01

    Within the framework of the general problem of studying the radiolysis mechanism for alcohols based on the cyclohexane ring, we have determined the yields of molecular hydrogen in γ-irradiated cyclohexanol, 1,2-cis- and 1,2-trans-cyclohexanediols, and inositol (cyclohexanehexol). The cyclohexanol and also powders of the polyols were placed into ampuls, deaerated in a vacuum apparatus and irradiated with 60 Co γ-rays at 77 K and 293 K. After irradiation, the samples were heated up to 373 K (the polyol crystals were heated until melting) and the hydrogen evolved from the liquid phase was determined by gas chromatography

  15. Extraction equilibrium of uranium (VI) from phosphoric solution with HDEHP and TOPO in cyclohexane

    International Nuclear Information System (INIS)

    You Jianzhang; Zhou Zuming; Qin Qizong

    1988-01-01

    The extraction equilibrium of uranium(VI) from phosphoric acid solution with HDEHP and TOPO in cyclohexane has been investigated to examine the effects of extractant concentration, hydrogen ion concentration and temperature on the extraction of uranium(VI). Experimental results suggest that the composition of synergistic complex species is UO 2 (HA 2 ) 2 ·TOPO and the extraction equilibrium constant β 21 is 10 9.52 at 30 deg C. In addition, the thermodynamic functions of the extraction reaction (ΔG,ΔH,ΔS) and the infra-red spectra of synergistic complexes have also been determined

  16. Reaction constants, in cyclohexane, of lauryl-amines with tetrabromo-phenolphthalein magenta E acid

    International Nuclear Information System (INIS)

    Perez, J.J.

    1966-11-01

    Trilauryl amine is an extracting agent used for plutonium purification. Its main degradation product is di-laurylamine. The titration of this impurity is carried out by spectro-colorimetry in cyclohexane using bromophtalein Magenta E as coloured acid indicator. The reported dissociation constants for alcoylammonium salts are too closed to lead to a discrimination between secondary and tertiary amines. The present spectrophotometric study shows that the ratios of various dissociation constants for bromophtalein Magenta E salts are notably different from those for salts of simple coloured acids like 2,4 dinitro phenol. The structural changes accompanying the colorations are discussed in order to explain this phenomenon. (author) [fr

  17. Radiation-chemical yields of molecular hydrogen formation in cyclohexane based alcohols

    International Nuclear Information System (INIS)

    Val'ter, A.I.; Kovalev, G.V.

    1988-01-01

    Molecular hydrogen radiation-chemical yields in γ-irradiated cyclohexanol, 1.2-cis- and 1.2-trans-cyclohexandiols and inositol are determined within the general problem frameworks of radiolysis mechanism for cyclohexanering-base alcohols. Irradiation was conducted at 77 and 293 K, dose rate - 4 Gy/s. Hydrogen concentration in all irradiated alcohols depends linearly on the dose. Radiation-chemical yields of H 2 and of stabilized radicals, as well, in the irradiated crystalline alcohols are analyzed depending on the irradiation temperature, alcohol molecular structure

  18. Comparison of the linear energy transfer effect in the radiolysis of cyclopentane, cyclohexane and cyclooctane

    International Nuclear Information System (INIS)

    Wojnarovits, L.; La Verne, J.A.

    1998-01-01

    In the radiolysis of cyclopentane, cyclohexane and cyclooctane, changing the irradiating particles from γ-rays to heavy ions, there are indications for the increase of the proportion of the H atom forming reaction at the expense of the reactions leading to H 2 molecule elimination and to radical production without participation of H atoms. This shift is attributed to changes in charge recombination with the increasing LET from basically geminate recombination to predominantly cross combination. The iodine scavenging results are similar in the three systems which is attributed to the basically diffusion controlled character of the competing reactions. (author)

  19. Tandem dinucleophilic cyclization of cyclohexane-1,3-diones with pyridinium salts

    Directory of Open Access Journals (Sweden)

    Mostafa Kiamehr

    2013-06-01

    Full Text Available The cyclization of cyclohexane-1,3-diones with various substituted pyridinium salts afforded functionalized 8-oxa-10-aza-tricyclo[7.3.1.02,7]trideca-2(7,11-dienes. The reaction proceeds by regioselective attack of the central carbon atom of the 1,3-dicarbonyl unit to 4-position of the pyridinium salt and subsequent cyclization by base-assisted proton migration and nucleophilic addition of the oxygen atom to the 2-position, as was elucidated by DFT computations. Fairly extensive screening of bases and additives revealed that the presence of potassium cations is essential for formation of the product.

  20. Solvent-extraction methods applied to the chemical analysis of uranium. III. Study of the extraction with inert solvents; Metodos de extraccion con disolventes aplicados al analisis quimico del uranio. III. Estudio de la extraccion con disolvente inertes

    Energy Technology Data Exchange (ETDEWEB)

    Vera Palomino, J; Palomares Delgado, F; Petrement Eguiluz, J C

    1964-07-01

    The extraction of uranium on the trace level is studied by using tributylphosphate as active agent under conditions aiming the attainment of quantitative extraction by means of a single step process using a number of salting-out agents and keeping inside the general lines as reported in two precedent papers. Two inert solvents were investigated, benzene and cyclohexane, which allowed to derive the corresponding empirical equations describing the extraction process and the results obtained were compared with those previously reported for solvents which, like ethyl acetate and methylisobuthylketone, favour to a more or less extend the extraction of uranium. (Author) 4 refs.

  1. Combustion modeling and kinetic rate calculations for a stoichiometric cyclohexane flame. 1. Major reaction pathways.

    Science.gov (United States)

    Zhang, Hongzhi R; Huynh, Lam K; Kungwan, Nawee; Yang, Zhiwei; Zhang, Shaowen

    2007-05-17

    The Utah Surrogate Mechanism was extended in order to model a stoichiometric premixed cyclohexane flame (P = 30 Torr). Generic rates were assigned to reaction classes of hydrogen abstraction, beta scission, and isomerization, and the resulting mechanism was found to be adequate in describing the combustion chemistry of cyclohexane. Satisfactory results were obtained in comparison with the experimental data of oxygen, major products and important intermediates, which include major soot precursors of C2-C5 unsaturated species. Measured concentrations of immediate products of fuel decomposition were also successfully reproduced. For example, the maximum concentrations of benzene and 1,3-butadiene, two major fuel decomposition products via competing pathways, were predicted within 10% of the measured values. Ring-opening reactions compete with those of cascading dehydrogenation for the decomposition of the conjugate cyclohexyl radical. The major ring-opening pathways produce 1-buten-4-yl radical, molecular ethylene, and 1,3-butadiene. The butadiene species is formed via beta scission after a 1-4 internal hydrogen migration of 1-hexen-6-yl radical. Cascading dehydrogenation also makes an important contribution to the fuel decomposition and provides the exclusive formation pathway of benzene. Benzene formation routes via combination of C2-C4 hydrocarbon fragments were found to be insignificant under current flame conditions, inferred by the later concentration peak of fulvene, in comparison with benzene, because the analogous species series for benzene formation via dehydrogenation was found to be precursors with regard to parent species of fulvene.

  2. Radiolytic investigations of solutions of organophosphorus compounds in cyclohexane and benzene

    International Nuclear Information System (INIS)

    Otrebski, W.

    1981-01-01

    Organphosphorus compounds are used in various branches of the chemical industry, but in many cases the reaction mechanisms are not well elucidated and less is known about the intermediates of organophosphines. In order to learn more about these rather complicated processes several organophosphorus compounds were used as model substrates in cyclohexane or benzene solution. The systems have been investigated applying the pulse radiolysis technique and steady-state irradiation methods. As representative solutes were chosen diphenylphosphinous chloride, diphenylmethylphosphine, and triphenylphosphine. By means of the pulse radiolysis it was possible to obtain spectroscopic and kinetic data for characterization of the various transients. The final radiolytic products have been analyzed following steady-state and multipulse radiolysis. Since some of the rate constants were not directly accessible by the applied kinetic method, they have been determined by simulation computation. Thereby the experimental data obtained by pulse radiolysis were used. Based on the kinetic, spectroscopic and computed data as well as on the identification of final products, it was possible to elucidate the reaction mechanism of the diphenylphosphinous chloride/cyclohexane system. As a main primary specie was identified the diphenylphoshorus radical. Its spectral and kinetic data have been determined. The reactions of diphenylmethylphosphine involve the same radical, but only to a lesser extent. The reactions of the primary radiolysis products with triphenylphosphine yield mainly adducts. The results represent a contribution in the field of reaction kinetics of organophosphorus compounds. (author)

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

    International Nuclear Information System (INIS)

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

    1978-01-01

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

  4. Action of solvents on torbanite and the nature of extracted products

    Energy Technology Data Exchange (ETDEWEB)

    Dulhunty, J A

    1943-01-01

    Tests were made on torbanite with polar and nonpolar solvents under various conditions. Torbanite undergoes no change when heated below 250/sup 0/C, but depolymerization of the organic matter, absorption of solvent, and swelling and softening of the torbanite occurred between 250 and 300/sup 0/C, although no appreciable quantity of soluble product was formed. Between 300 and 350/sup 0/C depolymerization continued and more solvent was absorbed, which caused swelling, softening, and partial breakdown of the physical structure of torbanite. The intimate mixture of torbanite and solvent produced a jellylike mass, which could not be filtered. Continued heating between 350 and 400/sup 0/C caused the organic matter to dissolve in the solvent and produced a complete breakdown in the physical structure of the torbanite. The extracts consisted largely of heavy paraffin compounds, including waxes.

  5. Carbon nanotube functionalized with dodecylamine for the effective dispersion in solvents

    International Nuclear Information System (INIS)

    Ferreira, Filipe Vargas; Francisco, Wesley; Menezes, Beatriz Rossi Canuto de; Cividanes, Luciana De Simone; Coutinho, Aparecido dos Reis; Thim, Gilmar Patrocínio

    2015-01-01

    Highlights: • The functionalized carbon nanotubes exhibit the formation of a shell structure with nanotubes in the center. • Graphitic structures (sp 2 ) reduce simultaneously with the change of textures on the surface of carbon nanotubes. • The nonpolar chain of dodecylamine improves the carbon nanotube interaction with the nonpolar solvent. - Abstract: In this work, it was performed a dispersion study of carbon nanotubes (CNTs) functionalized with carboxylic and alkane groups in various solvents. CNT was functionalized using H 2 SO 4 /HNO 3 and subsequently functionalized by dodecylamine (DDA). Fourier transform infrared, X-ray photoelectron spectroscopy, thermogravimetric analysis and transmission electron microscopy were used to characterize the CNTs at each step of the surface modification. The dispersion state of CNTs in the solvents was evaluated by Optical microscopy and visual observations. The evaluation of the solvent influence itself was also made. Results confirmed the presence of oxygen-containing and alkane groups on CNTs surfaces. The dispersion stability was strongly dependent on the solvent and carbon nanotubes surface interactions, which can vary with the chemical nature of the solvent. The study of the surface modifications and the degree of carbon nanotubes dispersion is relevant to enhance the full understanding of its applications.

  6. 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.

  7. Influence of the solvent environments on the spectral features of CdSe quantum dots with and without ZnS shell

    Energy Technology Data Exchange (ETDEWEB)

    Ibnaouf, K.H., E-mail: kheo90@gmail.com [Al Imam Mohammad Ibn Saud Islamic University (IMSIU), Physics Department, College of Science, P.O. Box 90905, Riyadh 11623 (Saudi Arabia); Prasad, Saradh; Al Salhi, M.S.; Hamdan, A. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Research Chair for Laser Diagnosis of Cancer, King Saud University (Saudi Arabia); Zaman, M.B. [CEREM, College of Engineering, King Saud University (Saudi Arabia); Advanced Medical Research Institute of Canada, Sudbury (Canada); El Mir, L. [Al Imam Mohammad Ibn Saud Islamic University (IMSIU), Physics Department, College of Science, P.O. Box 90905, Riyadh 11623 (Saudi Arabia)

    2014-05-01

    The spectral properties of 5 nm size of bare CdSe and (CdSe)ZnS core–shell quantum dots (QDs) have been recorded and investigated under different solvent environments with different polarities and different concentrations. The results showed that the spectral profile of absorption did not change for both quantum dots in different solvents under a wide range of concentrations. On the other hand, the photoluminescence (PL) spectra of (CdSe)ZnS core–shell quantum dots in non-polar solvents showed two bands; the primary around 420 nm and the secondary around 620 nm. In contrast, the PL spectra of bare CdSe in non-polar solvents, showed a very strong band around 590 nm, with a total absence of the primary wavelength band at 420 nm. Under high polar solvent environments, bare CdSe showed a new peak around 420 nm, which was totally absent in non-polar solvent. Therefore, the solvent plays an important role in the PL spectra of bare CdSe and (CdSe)ZnS core–shell quantum dots.

  8. Solvent effects on the excited-state double proton transfer mechanism in the 7-azaindole dimer: a TDDFT study with the polarizable continuum model.

    Science.gov (United States)

    Yu, Xue-Fang; Yamazaki, Shohei; Taketsugu, Tetsuya

    2017-08-30

    Solvent effects on the excited-state double proton transfer (ESDPT) mechanism in the 7-azaindole (7AI) dimer were investigated using the time-dependent density functional theory (TDDFT) method. Excited-state potential energy profiles along the reaction paths in a locally excited (LE) state and a charge transfer (CT) state were calculated using the polarizable continuum model (PCM) to include the solvent effect. A series of non-polar and polar solvents with different dielectric constants were used to examine the polarity effect on the ESDPT mechanism. The present results suggest that in a non-polar solvent and a polar solvent with a small dielectric constant, ESDPT follows a concerted mechanism, similar to the case in the gas phase. In a polar solvent with a relatively large dielectric constant, however, ESDPT is likely to follow a stepwise mechanism via a stable zwitterionic intermediate in the LE state on the adiabatic potential energy surface, although inclusion of zero-point vibrational energy (ZPE) corrections again suggests the concerted mechanism. In the meantime, the stepwise reaction path involving the CT state with neutral intermediates is also examined, and is found to be less competitive than the concerted or stepwise path in the LE state in both non-polar and polar solvents. The present study provides a new insight into the experimental controversy of the ESDPT mechanism of the 7AI dimer in a solution.

  9. Ginzburg-Landau-type theory of nonpolarized spin superconductivity

    Science.gov (United States)

    Lv, Peng; Bao, Zhi-qiang; Guo, Ai-Min; Xie, X. C.; Sun, Qing-Feng

    2017-01-01

    Since the concept of spin superconductor was proposed, all the related studies concentrate on the spin-polarized case. Here, we generalize the study to the spin-non-polarized case. The free energy of nonpolarized spin superconductor is obtained, and Ginzburg-Landau-type equations are derived by using the variational method. These Ginzburg-Landau-type equations can be reduced to the spin-polarized case when the spin direction is fixed. Moreover, the expressions of super linear and angular spin currents inside the superconductor are derived. We demonstrate that the electric field induced by the super spin current is equal to the one induced by an equivalent charge obtained from the second Ginzburg-Landau-type equation, which shows self-consistency of our theory. By applying these Ginzburg-Landau-type equations, the effect of electric field on the superconductor is also studied. These results will help us get a better understanding of the spin superconductor and related topics such as the Bose-Einstein condensate of magnons and spin superfluidity.

  10. Density and Phase State of a Confined Nonpolar Fluid

    Science.gov (United States)

    Kienle, Daniel F.; Kuhl, Tonya L.

    2016-07-01

    Measurements of the mean refractive index of a spherelike nonpolar fluid, octamethytetracylclosiloxane (OMCTS), confined between mica sheets, demonstrate direct and conclusive experimental evidence of the absence of a first-order liquid-to-solid phase transition in the fluid when confined, which has been suggested to occur from previous experimental and simulation results. The results also show that the density remains constant throughout confinement, and that the fluid is incompressible. This, along with the observation of very large increases (many orders of magnitude) in viscosity during confinement from the literature, demonstrate that the molecular motion is limited by the confining wall and not the molecular packing. In addition, the recently developed refractive index profile correction method, which enables the structural perturbation inherent at a solid-liquid interface and that of a liquid in confinement to be determined independently, was used to show that there was no measurable excess or depleted mass of OMCTS near the mica surface in bulk films or confined films of only two molecular layers.

  11. Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles

    NARCIS (Netherlands)

    Wang, Fang; Haftka, Joris J H; Sinnige, Theo L.; Hermens, Joop L M; Chen, Wei

    2014-01-01

    We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and

  12. Solvents and solvent effects in organic chemistry

    National Research Council Canada - National Science Library

    Reichardt, C; Welton, T

    2011-01-01

    .../guest complexation equilibria and reactions in biphasic solvent systems and neoteric solvents, respectively. More than 900 new references have been added, giving preference to review articles, and many older ones have been deleted. New references either replace older ones or are added to the end of the respective reference list of each chapter. Th...

  13. Design technique for all-dielectric non-polarizing beam splitter plate

    Science.gov (United States)

    Rizea, A.

    2012-03-01

    There are many situations when, for the proper working, an opto-electronic device requiring optical components does not change the polarization state of light after a reflection, splitting or filtering. In this paper, a design for a non-polarizing beam splitter plate is proposed. Based on certain optical properties of homogeneous dielectric materials we will establish a reliable thin film package formula, excellent for the start of optimization to obtain a 20-nm bandwidth non-polarizing beam splitter.

  14. Efficient room temperature oxidation of cyclohexane over highly active hetero-mixed WO3/V2O5 oxide catalyst

    CSIR Research Space (South Africa)

    Makgwane, PR

    2014-09-01

    Full Text Available catalytic activity to initiate the free-radical oxyfunctionalization of cyclohexane to afford up to 90% conversions within 6 h. The KA selectivity was found to depend on reaction time and the amount of catalyst. The WO(sub3)/V(sub2)O(sub5) catalyst...

  15. Antibacterial properties of 3 H-spiro[1-benzofuran-2,1'-cyclohexane] derivatives from Heliotropium filifolium.

    Science.gov (United States)

    Urzúa, Alejandro; Echeverría, Javier; Rezende, Marcos C; Wilkens, Marcela

    2008-10-01

    A re-examination of cuticular components of Heliotropium filifolium allowed the isolation of four new compounds: 3'-hydroxy-2',2',6'-trimethyl-3H-spiro[1-benzo-furan-2,1'-cyclohexane]-5-carboxylic acid(2), methyl 3'-acetyloxy-2',2',6'-trimethyl-3H-spiro[1-benzofuran-2,1'-cyclohexane]-5-carboxylate (3), methyl 3'-isopentanoyloxy-2',2',6'-trimethyl-3H-spiro[1-benzofuran-2,1'-cyclohexane]-5-carboxylate (4) and methyl 3'-benzoyloxy-2',2',6'-trimethyl-3H-spiro[1-benzofuran-2,1'-cyclohexane]-5-carboxylate (5).Compounds 2-5 were identified by their spectroscopic analogies with filifolinol (1), and their structures confirmed by chemical correlation with 1. The antimicrobial properties of the compounds were tested against Gram positive and Gram negative bacteria. Some of them proved to be active against Gram positive, but inactive against Gram negative bacteria. In searching for structure-activity relationships from the obtained MIC values, lipophilicity was shown to be an important variable.

  16. Kinetics and Mechanism of the Reaction of Coherently Synchronized Oxidation and Dehydrogenation of Cyclohexane by Hydrogen Peroxide

    Directory of Open Access Journals (Sweden)

    Aghamammadova S.

    2016-01-01

    Based on this experimental researches, the complex reaction, consisting of parallel-sequential oxidation and dehydrogenation reactions, which are coherently synchronized, proceeds during the process of cyclohexane oxidation with biomimetic catalyst. Depending on the reaction parameters it is possible to deliberately adjust the direction of oxidation reaction and reaction rate.

  17. Stepwise Swelling of a Thin Film of Lamellae-Forming Poly(styrene-b-butadiene) in Cyclohexane Vapor

    DEFF Research Database (Denmark)

    Di, Zhenyu; Posselt, Dorthe; Smilgies, Detlef-M.

    2012-01-01

    We investigated the swelling of a thin film of lamellae-forming poly(styrene-b-butadiene) in cyclohexane vapor. The vapor pressure and thus the degree of swelling of the film are increased in a stepwise manner using a custom-built sample cell. The resulting structural changes during and after each...

  18. Some studies on the formation of excited states of aromatic solutes in hydrocarbons and other solvents

    Energy Technology Data Exchange (ETDEWEB)

    Salmon, G A [Leeds Univ. (UK). Cookridge High Energy Radiation Research Centre

    1976-01-01

    This paper reviews the work of the author and his co-workers on the radiation-induced formation of excited states of aromatic compounds in solution. The experimental methods used are surveyed and in particular the method of measuring the yields of triplet and singlet excited states of the solute are described. The problems discussed are: (1) the effect of solvent on the yields of excited states, (2) formation of excited states in cyclohexane and other alicyclic hydrocarbons, (3) the formation of excited states in benzene and (4) the identification of T-T absorption spectra.

  19. The influence of non-polar lipids on tear film dynamics

    KAUST Repository

    Bruna, M.

    2014-04-04

    © 2014 Cambridge University Press. In this paper we examine the effect that physiological non-polar lipids, residing on the surface of an aqueous tear film, have on the film evolution. In our model we track the evolution of the thickness of the non-polar lipid layer, the thickness of the aqueous layer and the concentration of polar lipids which reside at the interface between the two. We also utilise a force balance in the non-polar lipid layer in order to determine its velocity. We show how to obtain previous models in the literature from our model by making particular choices of the parameters. We see the formation of boundary layers in some of these submodels, across which the concentration of polar lipid and the non-polar lipid velocity and film thickness vary. We solve our model numerically for physically realistic parameter values, and we find that the evolution of the aqueous layer and the polar lipid layer are similar to that described by previous authors. However, there are interesting dynamics for the non-polar lipid layer. The effects of altering the key parameters are highlighted and discussed. In particular, we see that the Marangoni number plays a key role in determining how far over the eye the non-polar lipid spreads.

  20. Organic Solvent Tropical Report

    International Nuclear Information System (INIS)

    COWLEY, W.L.

    2000-01-01

    This report provides the basis for closing the organic solvent safety issue. Sufficient information is presented to conclude that risk posed by an unmitigated organic solvent fire is within risk evaluation guidelines

  1. Canyon solvent cleaning

    International Nuclear Information System (INIS)

    Reif, D.J.

    1986-01-01

    The HM Process at the Savannah River Plant (SRP) uses 7.5% tributylphosphate in n-paraffin as an extraction solvent. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials that influence product losses, produce decontamination, and separation efficiencies. Laboratory studies to improve online solvent cleaning have shown the carbonate washing, although removing residual solvent activity does not remove binding ligands that hold fission products in the solvent. Treatment of solvent by an alumina adsorption process removes binding ligands and significantly improves recycle solvent performance. Both laboratory work defining a full-scale alumina adsorption process and the use of the process to clean HM Process first cycle solvent are presented

  2. Heterogeneous biomimetic catalysis using iron porphyrin for cyclohexane oxidation promoted by chitosan

    Science.gov (United States)

    Huang, Guan; Liu, Yao; Cai, Jing Li; Chen, Xiang Feng; Zhao, Shu Kai; Guo, Yong An; Wei, Su Juan; Li, Xu

    2017-04-01

    This study investigates how ligands modulate metalloporphyrin activity with the goal of producing a practical biomimetic catalyst for use in the chemical industry. We immobilized iron porphyrinate [iron-tetrakis-(4-sulfonatophenyl)-porphyrin; Fe(III) (TPPS)] on powdered chitosan (pd-CTS) to form an immobilized catalyst Fe(III) (TPPS)/pd-CTS, which was characterized using modern spectroscopic techniques and used for catalytic oxidation of cyclohexane with O2. Amino coordination to iron porphyrin in Fe(III) (TPPS)/pd-CTS altered the electron cloud density around the iron cation, probably by reducing the activation energy of Fe(III) (TPPS) and raising the reactivity of the iron ion catalytic center, thereby improving the catalytic efficiency. One milligram of Fe(III) (TPPS) catalyst can be reused three times for the oxidation reaction to yield an average of 22.9 mol% of cyclohexanone and cyclohexanol.

  3. Thermal conductivity of solid cyclohexane in orientationally ordered and disordered phases

    International Nuclear Information System (INIS)

    Konstantinov, V. A.; Revyakin, V. P.; Sagan, V. V.; Pursky, O. I.; Sysoev, V. M.

    2011-01-01

    Thermal conductivity Λ P of solid cyclohexane is measured at a pressure P = 0.1 MPa in the temperature range from 80 K to the melting point, which covers the ranges of low-temperature orientationally ordered phase II and high-temperature orientationally disordered phase I. Thermal conductivity Λ V is measured at a constant volume in orientationally disordered phase I. The thermal conductivity measured at atmospheric pressure decreases with increasing temperature as Λ P ∝ T −1.15 in phase II, whereas Λ P ∝ T −0.3 in phase I. As temperature increases, isochoric thermal conductivity Λ V in phase I increases gradually. The experimental data are described in terms of a modified Debye model of thermal conductivity with allowance for heat transfer by both phonons and “diffuse” modes.

  4. Turbidity very near the critical point of methanol-cyclohexane mixtures

    Science.gov (United States)

    Kopelman, R. B.; Gammon, R. W.; Moldover, M. R.

    1984-04-01

    The turbidity of a critical mixture of methanol and cyclohexane has been measured extremely close to the consolute point. The data span the reduced-temperature range between 10 to the -7th and 10 to the -3d, which is two decades closer to Tc than previous measurements. In this temperature range, the turbidity varies approximately as 1nt, as expected from the integrated form for Ornstein-Zernike scattering. A thin cell (200-micron optical path) with a very small volume (0.08 ml) was used to avoid multiple scattering. A carefully controlled temperature history was used to mix the sample and to minimize the effects of critical wetting layers. The data are consistent with a correlation-length amplitude of 3.9 plus or minus 1.0 A, in agreement with the value 3.5 A calculated from two-scale-factor universality and heat-capacity data from the literature.

  5. Turbidity very near the critical point of methanol-cyclohexane mixtures

    Science.gov (United States)

    Kopelman, R. B.; Gammon, R. W.; Moldover, M. R.

    1984-01-01

    The turbidity of a critical mixture of methanol and cyclohexane has been measured extremely close to the consolute point. The data span the reduced-temperature range between 10 to the -7th and 10 to the -3d, which is two decades closer to Tc than previous measurements. In this temperature range, the turbidity varies approximately as 1nt, as expected from the integrated form for Ornstein-Zernike scattering. A thin cell (200-micron optical path) with a very small volume (0.08 ml) was used to avoid multiple scattering. A carefully controlled temperature history was used to mix the sample and to minimize the effects of critical wetting layers. The data are consistent with a correlation-length amplitude of 3.9 plus or minus 1.0 A, in agreement with the value 3.5 A calculated from two-scale-factor universality and heat-capacity data from the literature.

  6. Sorption mechanism of solvent vapors to coals; Sekitan eno yobai joki no shuchaku kiko no kaiseki

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, K.; Takanohashi, T.; Iino, M. [Tohoku University, Sendai (Japan). Institute for Chemical Reaction Science

    1996-10-28

    With an objective to clarify the interactions between micropore structure of coal and solvent reagents, a sorption experiment was carried out under solvent saturated vapor pressure. Low-volatile bituminous coal, Pocahontas No. 3 coal, has the aromatic ring structure developed, and makes solvent more difficult to diffuse into coal, hence sorption amount is small. Methanol has permeated since its polarity is high. High-volatile bituminous coal, Illinois No. 6 coal, makes solvent penetrate easily, and the sorption amount was large with both of aromatic and polar solvents. Since brown coal, Beulah Zap coal, contains a large amount of oxygen, and hydrogen bonding is predominant, sorption amount of cyclohexane and benzene having no polarity is small. Methanol diffuses while releasing hydrogen bond due to its polarity, and its sorption amount is large. A double sorption model is available, which expresses the whole sorption amount as a sum of physical sorption amount and amount of permeation into coal. This model was applied when it explained successfully the sorption behavior of the solvents relative to coals, excepting some of the systems. However, also observed were such abnormal behavior as sorption impediment due to interactions between coal surface and solvents, and permeation impediment due to hydroxyl groups inside the coals. 1 ref., 10 figs., 2 tabs.

  7. Vegetable Oils as Alternative Solvents for Green Oleo-Extraction, Purification and Formulation of Food and Natural Products.

    Science.gov (United States)

    Yara-Varón, Edinson; Li, Ying; Balcells, Mercè; Canela-Garayoa, Ramon; Fabiano-Tixier, Anne-Sylvie; Chemat, Farid

    2017-09-05

    Since solvents of petroleum origin are now strictly regulated worldwide, there is a growing demand for using greener, bio-based and renewable solvents for extraction, purification and formulation of natural and food products. The ideal alternative solvents are non-volatile organic compounds (VOCs) that have high dissolving power and flash point, together with low toxicity and less environmental impact. They should be obtained from renewable resources at a reasonable price and be easy to recycle. Based on the principles of Green Chemistry and Green Engineering, vegetable oils could become an ideal alternative solvent to extract compounds for purification, enrichment, or even pollution remediation. This review presents an overview of vegetable oils as solvents enriched with various bioactive compounds from natural resources, as well as the relationship between dissolving power of non-polar and polar bioactive components with the function of fatty acids and/or lipid classes in vegetable oils, and other minor components. A focus on simulation of solvent-solute interactions and a discussion of polar paradox theory propose a mechanism explaining the phenomena of dissolving polar and non-polar bioactive components in vegetable oils as green solvents with variable polarity.

  8. Effects of solvent polarity on mutual polypropylene grafting by electron beam irradiation

    International Nuclear Information System (INIS)

    Geraldo, A.B.C.; Moura, E.; Somessari, E.S.R.; Silveira, C.G.; Paes, H.A.; Souza, C.A.; Fernandes, W.; Manzoli, J.E.

    2011-01-01

    Complete text of publication follows. Copolymerization by grafting is a process largely known and the advantages of modifying polymers by radiation includes superimposition of properties related to the backbone and the grafted chains in the absence of an initiator. This process produces low byproduct levels, costs and hazards. Since polypropylene is applied in many industrial and commercial sectors, the grafting process is an alternative to improve some of its physical and chemical properties. The aim of this work was to verify the effect of distinct organic solvents on polypropylene grafting process by mutual irradiation applying absorbed doses from 30 kGy to 100 kGy at dose rates of 2.2 kGy/s and 22.4 kGy/s. All process were performed in atmosphere air presence. Styrene was the monomer grafted on polymer substrate and some non-polar and polar organic solvents, like toluene, xylene, acetone, methanol and its homologous, were used at distinct concentrations. The grafted samples were evaluated by degree of styrene grafting (gravimetric determination) and the Mid-FTIR spectrophotometry. As a general behavior, the degree of grafting increases when absorbed dose values increase in a specific solvent until a maximum dose value (50-70 kGy), after this, the degree of grafting decreases. Moreover, the grafting process have high yields when protic polar solvents are used. These results suggest the grafting process does not have dependence of substrate swelling, that is expected when a non-polar substrate and a non-polar media are in contact. The grafting, in this case, can be related to the free radical generation at protic polar solvents in a first step of process mechanism; these reactive specimens start the reaction on substrate surface to allow the accessibility of monomer species to active sites. Some reaction mechanisms are proposed.

  9. 10,21-Dimethyl-2,7,13,18-tetraphenyl-3,6,14,17-tetraazatricyclo[17.3.1.18,12]tetracosa-1(23,2,6,8(24,9,11,13,17,19,21-decaene-23,24-diol cyclohexane 0.33-solvate

    Directory of Open Access Journals (Sweden)

    Sushil K. Gupta

    2011-10-01

    Full Text Available The title compound, C46H40N4O2·0.33C6H12, was obtained unintentionally as a product of an attempted synthesis of a cadmium(II complex of the [2,6-{PhSe(CH22N=CPh}2C6H2(4-Me(OH] ligand. The full tetraiminodiphenol macrocyclic ligand is generated by the application of an inversion centre. The macrocyclic ligand features strong intramolecular O—H...N hydrogen bonds. The dihedral angles formed between the phenyl ring incorporated within the macrocycle and the peripheral phenyl rings are 82.99 (8 and 88.20 (8°. The cyclohexane solvent molecule lies about a site of overline{3} symmetry. Other solvent within the lattice was disordered and was treated with the SQUEEZE routine [Spek (2009. Acta Cryst. D65, 148–155].

  10. Quaternary isobaric (vapor + liquid + liquid) equilibrium and (vapor + liquid) equilibrium for the system (water + ethanol + cyclohexane + heptane) at 101.3 kPa

    International Nuclear Information System (INIS)

    Pequenin, Ana; Asensi, Juan Carlos; Gomis, Vicente

    2011-01-01

    Highlights: → Water-ethanol-cyclohexane-heptane and water-cyclohexane-heptane isobaric VLLE. → Isobaric experimental data were determined at 101.3 kPa. → A dynamic recirculating still with an ultrasonic homogenizer was used. → The quaternary system does not present quaternary azeotropes. - Abstract: Experimental isobaric (vapor + liquid + liquid) and (vapor + liquid) equilibrium data for the ternary system {water (1) + cyclohexane (2) + heptane (3)} and the quaternary system {water (1) + ethanol (2) + cyclohexane (3) + heptane (4)} were measured at 101.3 kPa. An all-glass, dynamic recirculating still equipped with an ultrasonic homogenizer was used to determine the VLLE. The results obtained show that the system does not present quaternary azeotropes. The point-by-point method by Wisniak for testing the thermodynamic consistency of isobaric measurements was used to test the equilibrium data.

  11. Dielectric study of molecular association in the binary mixtures (2-ethyl-1-hexanol + alcohol) and (cyclohexane + alcohol) at 298.2 K

    Energy Technology Data Exchange (ETDEWEB)

    Ghanadzadeh, A. [Department of Chemistry, Guilan University, Rasht (Iran, Islamic Republic of)]. E-mail: aggilani@guilan.ac.ir; Ghanadzadeh, H. [Department of Chemical Engineering, Guilan University, Rasht (Iran, Islamic Republic of); Sariri, R. [Department of Chemistry, Guilan University, Rasht (Iran, Islamic Republic of); Ebrahimi, L. [Department of Chemistry, Guilan University, Rasht (Iran, Islamic Republic of)

    2005-04-15

    Experimental results of dielectric investigations of three binary mixtures (ethanol + 2-ethyl-1-hexanol), (n-butanol + 2-ethyl-1-hexanol), and (tert-butanol + 2-ethyl-1-hexanol) were reported for various mole fractions at 298.2 K. The variations of dipole moment and correlation factor, g, with mole fraction in these mixtures were investigated using a unified quasichemical method described by Durov. The molecular associations of (ethanol + cyclohexane), (n-butanol + cyclohexane), and (tert-butanol + cyclohexane) binary mixtures were also investigated using the static dielectric method. A similar trend was observed in the variation of the dipole moments with the solute mole fractions in the both binary systems (i.e., alcohol + 2-ethyl-1-hexanol and alcohol + cyclohexane)

  12. Dynamics of circular hydrogen bond array in calix[4]arene in a nonpolar solvent: A nuclear magnetic resonance study

    Czech Academy of Sciences Publication Activity Database

    Lang, J.; Deckerová, V.; Czernek, Jiří; Lhoták, P.

    2005-01-01

    Roč. 122, - (2005), 044506/1-044506/11 ISSN 0021-9606 R&D Projects: GA AV ČR KJB4050311 Institutional research plan: CEZ:AV0Z40500505 Keywords : hydrogen bonds * organic compounds * spin-spin relaxation Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.138, year: 2005

  13. Insight into Nanoparticle Charging Mechanism in Nonpolar Solvents To Control the Formation of Pt Nanoparticle Monolayers by Electrophoretic Deposition

    Czech Academy of Sciences Publication Activity Database

    Černohorský, Ondřej; Grym, Jan; Yatskiv, Roman; Pham, V. H.; Dickerson, J.H.

    2016-01-01

    Roč. 8, č. 30 (2016), s. 19680-19690 ISSN 1944-8244 R&D Projects: GA ČR GA15-17044S; GA MŠk(CZ) LD14111 Institutional support: RVO:67985882 Keywords : AOT reverse micelles * 3D growth * electrophoretic deposition Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 7.504, year: 2016

  14. Molecular and ionic hydrogen bond formation in fluorous solvents.

    Science.gov (United States)

    O'Neal, Kristi L; Weber, Stephen G

    2009-01-08

    There are only a few studies of noncovalent association in fluorous solvents and even fewer that are quantitative. A full understanding, particularly of stoichiometry and binding strength of noncovalent interactions in fluorous solvents could be very useful in improved molecular-receptor-based extractions, advancements in sensor technologies, crystal engineering, and supramolecular chemistry. This work investigates hydrogen bonding between heterocyclic bases and a perfluoropolyether with a terminal carboxylic acid group (Krytox 157FSH (1)), chiefly in FC-72 (a mixture of perfluorohexanes). In particular, we were interested in whether or not proton transfer occurs, and if so, under what conditions in H-bonded complexes. Continuous variations experiments show that in FC-72 weaker bases (pyrazine, pyrimidine, and quinazoline) form 1:1 complexes with 1, whereas stronger bases (quinoline, pyridine, and isoquinoline) form 1:3 complexes. Ultraviolet and infrared spectral signatures reveal that the 1:1 complexes are molecular (B.HA) whereas the 1:3 complexes are ionic (BH+.A-HAHA). Infrared spectra of 1:3 ionic complexes are discussed in detail. Literature and experimental data on complexes between N-heterocyclic bases and carboxylic acids in a range of solvents are compiled to compare solvent effects on proton transfer. Polar solvents support ionic hydrogen bonds at a 1:1 mol ratio. In nonpolar organic solvents, ionic hydrogen bonds are only observed in complexes with 1:2 (base/acid) stoichiometries. In fluorous solvents, a larger excess of acid, 1:3, is necessary to facilitate proton transfer in hydrogen bonds between carboxylic acids and the bases studied.

  15. Fluorinated cyclohexanes: Synthesis of amine building blocks of the all-cis 2,3,5,6-tetrafluorocyclohexylamine motif

    Directory of Open Access Journals (Sweden)

    Tetiana Bykova

    2017-04-01

    Full Text Available This paper reports the synthesis of three amine stereoisomers 5a–c of the tetrafluorocyclohexyl ring system, as building blocks for discovery chemistry programmes. The synthesis starts from a Birch reduction of benzonitrile, followed by an in situ methyl iodide quench. The resultant 2,5-cyclohexadiene was progressed via double epoxidations and then hydrofluorination ring opening reactions. The resultant fluorohydrin moieties were then converted to different stereoisomers of the tetrafluorocyclohexyl ring system, and then reductive hydrogenation of the nitrile delivered three amine stereoisomers. It proved necessary to place a methyl group on the cyclohexane ring in order to stabilise the compound against subsequent HF elimination. The two all-cis tetrafluorocyclohexyl isomers 5a and 5b constitute facially polarized cyclohexane rings, with fluorines on the electronegative face and hydrogens on the electropositive face.

  16. Deuterium isotope effects on the ring inversion equilibrium in cyclohexane: the A value of deuterium and its origin

    International Nuclear Information System (INIS)

    Anet, F.A.L.; Kopelevich, M.

    1986-01-01

    It has been reported recently that the deuterium in cyclohexane-d 1 prefers the equatorial over the axial position by about 200 J/mol (i.e., ca. 50 cal/mol), as shown by three different kinds of NMR measurements. Such an isotope effect is unexpectedly large, and this has led the authors to reinvestigate the problem using Saunder's isotopic perturbation method. The authors thereby established that the free energy difference (the A value for deuterium) is 6.3 +/- 1.5 cal/mol, with deuterium more stable equatorial than axial. This value is supported by molecular mechanics calculations based in part on experimental vibrational frequencies. 17 references, 1 figure

  17. Inhibition and anti-inhibition effects of positronium formation in cyclohexane and their relation to radiation chemistry

    International Nuclear Information System (INIS)

    Ito, Y.; Miyake, Y.; Tabata, Y.

    1982-01-01

    Positronium formation in cyclohexane has been studied using C 2 H 5 Br or CCl 4 as an inhibitor and C 6 F 6 as an anti-inhibitor. The results are analyzed using an empirical formula which is well established in radiation chemistry for electron scavenging reactions in cyclohexane. The reactivity parameters derived from the radiation chemistry are shown to successfully reproduce the experimental results. Very close correlation between positronium formation and radiation chemistry is evident, and the spur reaction model of positronium formation is corroborated. From a simple model of the positron spur in which only a single ion pair and a positron is assumed, it is estimated that about 75% of the spur electron combines with the positron. (author)

  18. Solvent effects on the crystal growth structure and morphology of the pharmaceutical dirithromycin

    Science.gov (United States)

    Wang, Yuan; Liang, Zuozhong

    2017-12-01

    Solvent effects on the crystal structure and morphology of pharmaceutical dirithromycin molecules were systematically investigated using both experimental crystallization and theoretical simulation. Dirithromycin is one of the new generation of macrolide antibiotics with two polymorphic forms (Form I and Form II) and many solvate forms. Herein, six solvates of the dirithromycin, including acetonitrile, acetonitrile/water, acetone, 1-propanol, N,N-dimethylformamide (DMF) and cyclohexane, were studied. Experimentally, we crystallized the dirithromycin molecules in different solvents by the solvent evaporating method and measured the crystal structures with the X-ray diffraction (XRD). We compared these crystal structures of dirithromycin solvates and analyzed the solvent property-determined structure evolution. The solvents have a strong interaction with the dirithromycin molecule due to the formation of inter-molecular interactions (such as the hydrogen bonding and close contacts (sum of vdW radii)). Theoretically, we calculated the ideal crystal habit based on the solvated structures with the attachment growth (AE) model. The predicted morphologies and aspect ratios of dirithromycin solvates agree well with the experimental results. This work could be helpful to better understand the structure and morphology evolution of solvates controlled by solvents and guide the crystallization of active pharmaceutical ingredients in the pharmaceutical industry.

  19. Study of micelle formation in solutions of alkylammonium carboxylates in apolar solvents by positron annihilation techniques

    International Nuclear Information System (INIS)

    Fucugauchi, L.A.; Djermouni, B.; Handel, E.D.; Ache, H.J.

    1979-01-01

    The positron annihilation technique was applied to the study of the self-association process in solutions of alkylammonium carboxylates in apolar solvents, such as cyclohexane and benzene. The results indicate that the positronium formation probability responds very sensitively to changes in the microenvironment in these solutions. A distinct cooperative effect of the solution resulting in abrupt changes in the number of thermal ortho-positronium atoms formed was observed and studied as a function of the length and structure of the hydrocarbon chain in the cationic and anionic parts of the surfactant molecules. While the chain length in the cationic portion of the surfactant seems to have little effect on the positronium formation probability, distinct differences can be observed when the structure of the carboxylate is changed. Furthermore, a profound effect in the physical property of the solutions was recognized when cyclohexane was replaced by benzene as a solvent. The results are discussed in terms of the existing models for self-association. 4 figures

  20. Influence of Solvent-Solvent and Solute-Solvent Interaction Properties on Solvent-Mediated Potential

    International Nuclear Information System (INIS)

    Zhou Shiqi

    2005-01-01

    A recently proposed universal calculational recipe for solvent-mediated potential is applied to calculate excess potential of mean force between two large Lennard-Jones (LJ) or hard core attractive Yukawa particles immersed in small LJ solvent bath at supercritical state. Comparison between the present prediction with a hypernetted chain approximation adopted for solute-solute correlation at infinitely dilute limit and existing simulation data shows high accuracy for the region with large separation, and qualitative reliability for the solute particle contact region. The calculational simplicity of the present recipe allows for a detailed investigation on the effect of the solute-solvent and solvent-solvent interaction details on the excess potential of mean force. The resultant conclusion is that gathering of solvent particles near a solute particle leads to repulsive excess PMF, while depletion of solvent particles away from the solute particle leads to attractive excess PMF, and minor change of the solvent-solvent interaction range has large influence on the excess PMF.

  1. Hydrogenation of cyclohexene with LaNi5−xAlxHn metal hydrides suspended in cyclohexane or ethanol

    NARCIS (Netherlands)

    Snijder, E.D.; Versteeg, G.F.; Swaaij, W.P.M. van

    1993-01-01

    The hydrogenation of cyclohexene on the metal hydride forming alloys LaNi4.8Al0.2, LaNi4.9Al0.1 and LaNi5, all suspended in cyclohexane and LaNi5 suspended in ethanol, has been investigated. Two sources for hydrogen are recognized: hydrogen supplied by the gas phase and hydrogen which is available

  2. Hydrogenation of cyclohexene with LaNi@#5@#-@#x@#Al@#x@#Hn metal hydrides, suspended in cyclohexane or ethanol

    NARCIS (Netherlands)

    Snijder, E.D.; Snijder, E.D.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

    1993-01-01

    The hydrogenation of cyclohexene on the metal hydride forming alloys LaNi4.8Al0.2, LaNi4.9Al0.1 and LaNi5, all suspended in cyclohexane and LaNi5 suspended in ethanol, has been investigated. Two sources for hydrogen are recognized: hydrogen supplied by the gas phase and hydrogen which is available

  3. Relation between separation factor of carbon isotope and chemical reaction of CO2 with amine in nonaqueous solvent

    International Nuclear Information System (INIS)

    Takeshita, Kenji; Kitamoto, Asashi

    1989-01-01

    The separation factor for carbon isotope exchange reaction between CO 2 and amine in nonaqueous solvent was related to absorption reaction of CO 2 in a solution. The test solutions were mixtures of primary amine (such as butylamine and tert-butylamine) or secondary amine (such as diethylamine, dipropylamine and dibutylamine) diluted with nonpolar solvent (octane or triethyalmine) or polar solvent (methanol), respectively. The isotope exchange reaction consists of three steps related to chemical reaction of CO 2 in amine and nonaqueous solvent mixture, namely the reaction between CO 2 and carbamic acid, that between CO 2 and amine carbamate, and that between CO 2 and carbamic ion. Above all, the isotope separation factor between CO 2 and carbamic acid had the highest value. The overall separation factor can be higher in amine-nonaqueous solvent mixture where the concentration of carbamic acid becomes higher. (author)

  4. Ultrasonic velocity and absorption study of binary mixtures of cyclohexane with acrylonitrile by interferometric method at different frequencies

    Science.gov (United States)

    Pawar, N. R.; Chimankar, O. P.; Bhandakkar, V. D.; Padole, N. N.

    2012-12-01

    The ultrasonic velocity (u), absorption (α), density (ρ), and viscosity (η) has been measured at different frequencies (1MHz to 10MHz) in the binary mixtures of cyclohexane with acrylonitriile over the entire range of composition at temperature 303K. Vander Waal's constant (b), adiabatic compressibility (βa), acoustic impedance (Z), molar volume (V), free length (Lf), free volume, internal pressure, intermolecular radius and relative association have been also calculated. A special application for acrylonitrile is in the manufacture of carbon fibers. These are produced by paralysis of oriented poly acrylonitrile fibers and are used to reinforce composites for high-performance applications in the aircraft, defense and aerospace industries. Other applications of acrylonitrile are in the production of fatty amines, ion exchange resins and fatty amine amides used in cosmetics, adhesives, corrosion inhibitors and water-treatment resins. Cyclohexane derivatives can be used for the synthesis of pharmaceuticals, dyes, herbicides, plant growth regulator, plasticizers, rubber chemicals, nylon, cyclamens and other organic compounds. In the view of these extensive applications of acrylonitrile and cyclohexane in the engineering process, textile and pharmaceutical industries present study provides qualitative information regarding the nature and strength of interaction in the liquid mixtures through derive parameters from ultrasonic velocity and absorption measurement.

  5. Conversion of proteins from a non-polarized to an apical secretory pattern in MDCK cells

    International Nuclear Information System (INIS)

    Vogel, Lotte K.; Larsen, Jakob E.; Hansen, Martin; Truffer, Renato

    2005-01-01

    Previously it was shown that fusion proteins containing the amino terminus of an apical targeted member of the serpin family fused to the corresponding carboxyl terminus of the non-polarized secreted serpin, antithrombin, are secreted mainly to the apical side of MDCK cells. The present study shows that this is neither due to the transfer of an apical sorting signal from the apically expressed proteins, since a sequence of random amino acids acts the same, nor is it due to the deletion of a conserved signal for correct targeting from the non-polarized secreted protein. Our results suggest that the polarity of secretion is determined by conformational sensitive sorting signals

  6. Designs of infrared nonpolarizing beam splitters with a Ag layer in a glass cube.

    Science.gov (United States)

    Shi, Jin Hui; Wang, Zheng Ping

    2008-05-10

    A novel design of a nonpolarizing beam splitter with a Ag layer in a cube was proposed and optimized, based on the needle optimization. The digital simulations of the reflectance and reflection-induced retardance were presented. The simulation results showed that both the amplitude and the phase characteristics of the nonpolarizing beam splitter could realize the design targets. The difference between the simulated and the target reflectance of 50% is less than 0.4% and the simulated and the reflection-induced retardance is less than 0.62 degrees in the 1260 -1360 nm range for both p and s components.

  7. Nonpolarizing beam splitter designed by frustrated total internal reflection inside a glass cube.

    Science.gov (United States)

    Xu, Xueke; Shao, Jianda; Fan, Zhengxiu

    2006-06-20

    A method for the design of an all-dielectric nonpolarizing prism beam splitter utilizing the principle of frustrated total internal reflection is reported. The nonpolarizing condition for a prism beam splitter is discussed, and some single layer design examples are elaborated. The concept can be applied to a wide range of wavelengths and arbitrary transmittance values, and with the help of a computer design program examples of 400-700 nm, T(p)=T(s)=0.5+/-0.01, with incident angles of 45 degrees and 62 degrees are given. In addition, the sensitivity and application of the design are also discussed.

  8. Design and analysis of metal-dielectric nonpolarizing beam splitters in a glass cube.

    Science.gov (United States)

    Shi, Jin Hui; Guan, Chun Ying; Wang, Zheng Ping

    2009-06-20

    A novel design of a 25-layer metal-dielectric nonpolarizing beam splitter in a cube is proposed by use of the optimization method and is theoretically investigated. The simulations of the reflectance and differential phases induced by reflection and transmission are presented. The simulation results reveal that both the amplitude and the phase characteristics of the nonpolarizing beam splitter could realize the design targets, the differences between the simulated and the target reflectance of 50% are less than 2%, and the differential phases are less than 3 degrees in the range of 530 nm-570 nm for both p and s components.

  9. Design and analysis of all-dielectric broadband nonpolarizing parallel-plate beam splitters.

    Science.gov (United States)

    Wang, Wenliang; Xiong, Shengming; Zhang, Yundong

    2007-06-01

    Past research on the all-dielectric nonpolarizing beam splitter is reviewed. With the aid of the needle thin-film synthesis method and the conjugate graduate refine method, three different split ratio nonpolarizing parallel-plate beam splitters over a 200 nm spectral range centered at 550 nm with incidence angles of 45 degrees are designed. The chosen materials component and the initial stack are based on the Costich and Thelen theories. The results of design and analysis show that the designs maintain a very low polarization ratio in the working range of the spectrum and has a reasonable angular field.

  10. Optical Interference Coatings Design Contest 2007: triple bandpass filter and nonpolarizing beam splitter.

    Science.gov (United States)

    Tilsch, Markus; Hendrix, Karen

    2008-05-01

    A triple bandpass filter (28 solutions received) and a nonpolarizing beam splitter (23 solutions received) were the subjects of the design contest held in conjunction with the 2007 Optical Interference Coatings topical meeting of the Optical Society of America. Fifteen designers participated using a wide spectrum of design approaches and optimization strategies to create the submissions. The results differ significantly, but all meet the contest requirements. Fabien Lemarchand wins both contests by submitting the thinnest (6254 nm) triple bandpass design and the widest (61.7 nm) nonpolarizing beam-splitter design. Michael Trubetskov is in second place, followed by Vladimir Pervak in both contests. The submitted designs are described and evaluated.

  11. Crystal structure of ({(1R,2R-N,N′-bis[(quinolin-2-ylmethyl]cyclohexane-1,2-diamine}chloridoiron(III-μ-oxido-[trichloridoferrate(III] chloroform monosolvate

    Directory of Open Access Journals (Sweden)

    Hannah Swift

    2017-07-01

    Full Text Available The first FeIII atom in the solvated title compound, [Fe2Cl4O(C26H28N4]·CHCl3, adopts a distorted six-coordinate octahedral geometry. It is coordinated by one chloride ligand, four N atoms from the (1R,2R-N,N′-bis[(quinolin-2-ylmethyl]cyclohexane-1,2-diamine ligand, and a bridging oxido ligand attached to the second FeIII atom, which is also bonded to three chloride ions. A very weak intramolecular N—H...Cl hydrogen bond occurs. In the crystal, the coordination complexes stack in columns, and a grouping of six such columns create channels, which are populated by disordered chloroform solvent molecules. Although the Fe—Cl bond lengths for the two metal atoms are comparable to the mean Fe—Cl bond lengths as derived from the Cambridge Structural Database, the Fe—O bond lengths are notably shorter. The solvent chloroform molecule exhibits `flip' disorder of the C—H moiety in a 0.544 (3:0.456 (3 ratio. The only directional interaction noted is a weak C—H...Cl hydrogen bond.

  12. Measurement and prediction of aromatic solute distribution coefficients for aqueous-organic solvent systems. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Campbell, J.R.; Luthy, R.G.

    1984-06-01

    Experimental and modeling activities were performed to assess techniques for measurement and prediction of distribution coefficients for aromatic solutes between water and immiscible organic solvents. Experiments were performed to measure distribution coefficients in both clean water and wastewater systems, and to assess treatment of a wastewater by solvent extraction. The theoretical portions of this investigation were directed towards development of techniques for prediction of solute-solvent/water distribution coefficients. Experiments were performed to assess treatment of a phenolic-laden coal conversion wastewater by solvent extraction. The results showed that solvent extraction for recovery of phenolic material offered several wastewater processing advantages. Distribution coefficients were measured in clean water and wastewater systems for aromatic solutes of varying functionality with different solvent types. It was found that distribution coefficients for these compounds in clean water systems were not statistically different from distribution coefficients determined in a complex coal conversion process wastewater. These and other aromatic solute distribution coefficient data were employed for evaluation of modeling techniques for prediction of solute-solvent/water distribution coefficients. Eight solvents were selected in order to represent various chemical classes: toluene and benzene (aromatics), hexane and heptane (alkanes), n-octanol (alcohols), n-butyl acetate (esters), diisopropyl ether (ethers), and methylisobutyl ketone (ketones). The aromatic solutes included: nonpolar compounds such as benzene, toluene and naphthalene, phenolic compounds such as phenol, cresol and catechol, nitrogenous aromatics such as aniline, pyridine and aminonaphthalene, and other aromatic solutes such as naphthol, quinolinol and halogenated compounds. 100 references, 20 figures, 34 tables.

  13. Dynamic study of excited state hydrogen-bonded complexes of harmane in cyclohexane-toluene mixtures.

    Science.gov (United States)

    Carmona, Carmen; Balón, Manuel; Galán, Manuel; Guardado, Pilar; Muñoz, María A

    2002-09-01

    Photoinduced proton transfer reactions of harmane or 1-methyl-9H-pyrido[3,4-b]indole (HN) in the presence of the proton donor hexafluoroisopropanol (HFIP) in cyclohexane-toluene mixtures (CY-TL; 10% vol/vol of TL) have been studied. Three excited state species have been identified: a 1:2 hydrogen-bonded proton transfer complex (PTC), between the pyridinic nitrogen of the substrate and the proton donor, a hydrogen-bonded cation-like exciplex (CL*) with a stoichiometry of at least 1:3 and a zwitterionic exciplex (Z*). Time-resolved fluorescence measurements evidence that upon excitation of ground state PTC, an excited state equilibrium is established between PTC* and the cationlike exciplex, CL*, lambdaem approximately/= 390 nm. This excited state reaction is assisted by another proton donor molecule. Further reaction of CL* with an additional HFIP molecule produces the zwitterionic species, Z*, lambda(em) approximately/= 500 nm. From the analysis of the multiexponential decays, measured at different emission wavelengths and as a function of HFIP concentration, the mechanism of these excited state reactions has been established. Thus, three rate constants and three reciprocal lifetimes have been determined. The simultaneous study of 1,9-dimethyl-9H-pyrido[3,4-b]indole (MHN) under the same experimental conditions has helped to understand the excited state kinetics of these processes.

  14. Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

    Energy Technology Data Exchange (ETDEWEB)

    Guevara-Carrion, Gabriela; Janzen, Tatjana; Muñoz-Muñoz, Y. Mauricio; Vrabec, Jadran, E-mail: jadran.vrabec@uni-paderborn.de [Thermodynamics and Energy Technology, University of Paderborn, 33098 Paderborn (Germany)

    2016-03-28

    Mutual diffusion coefficients of all 20 binary liquid mixtures that can be formed out of methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride without a miscibility gap are studied at ambient conditions of temperature and pressure in the entire composition range. The considered mixtures show a varying mixing behavior from almost ideal to strongly non-ideal. Predictive molecular dynamics simulations employing the Green-Kubo formalism are carried out. Radial distribution functions are analyzed to gain an understanding of the liquid structure influencing the diffusion processes. It is shown that cluster formation in mixtures containing one alcoholic component has a significant impact on the diffusion process. The estimation of the thermodynamic factor from experimental vapor-liquid equilibrium data is investigated, considering three excess Gibbs energy models, i.e., Wilson, NRTL, and UNIQUAC. It is found that the Wilson model yields the thermodynamic factor that best suits the simulation results for the prediction of the Fick diffusion coefficient. Four semi-empirical methods for the prediction of the self-diffusion coefficients and nine predictive equations for the Fick diffusion coefficient are assessed and it is found that methods based on local composition models are more reliable. Finally, the shear viscosity and thermal conductivity are predicted and in most cases favorably compared with experimental literature values.

  15. Photonic crystal based sensor for organic solvents and for solvent-water mixtures.

    Science.gov (United States)

    Fenzl, Christoph; Hirsch, Thomas; Wolfbeis, Otto S

    2012-12-12

    Monodisperse polystyrene nanoparticles with a diameter of 173 nm were incorporated into a polydimethylsiloxane matrix where they display an iridescent color that can be attributed to the photonic crystal effect. The film is of violet color if placed in plain water, but turns to red in the presence of the non-polar solvent n-hexane. Several solvents were studied in some detail. We show that such films are capable of monitoring the water content of ethanol/water mixtures, where only 1% (v/v) of water leads to a shift of the peak wavelength of reflected light by 5 nm. The method also can be applied to determine, both visually and instrumentally, the fraction of methanol in ethanol/methanol mixtures. Here, a fraction of 1% of methanol (v/v) results in a wavelength shift of 2 nm. The reflected wavelength is not influenced by temperature changes nor impeded by photobleaching. The signal changes are fully reversible and response times are <1 s.

  16. Photonic Crystal Based Sensor for Organic Solvents and for Solvent-Water Mixtures

    Directory of Open Access Journals (Sweden)

    Otto S. Wolfbeis

    2012-12-01

    Full Text Available Monodisperse polystyrene nanoparticles with a diameter of 173 nm were incorporated into a polydimethylsiloxane matrix where they display an iridescent color that can be attributed to the photonic crystal effect. The film is of violet color if placed in plain water, but turns to red in the presence of the non-polar solvent n-hexane. Several solvents were studied in some detail. We show that such films are capable of monitoring the water content of ethanol/water mixtures, where only 1% (v/v of water leads to a shift of the peak wavelength of reflected light by 5 nm. The method also can be applied to determine, both visually and instrumentally, the fraction of methanol in ethanol/methanol mixtures. Here, a fraction of 1% of methanol (v/v results in a wavelength shift of 2 nm. The reflected wavelength is not influenced by temperature changes nor impeded by photobleaching. The signal changes are fully reversible and response times are <1 s.

  17. Contribution to the study of molecular movements in cyclohexane by electron spin resonance and electron-nuclear double resonance using a radical probe; Contribution a l'etude des mouvements moleculaires dans le cyclohexane par resonance paramagnetique electronique et double resonance electronique-nucleaire a l'aide d'une sonde radicalaire

    Energy Technology Data Exchange (ETDEWEB)

    Volino, F [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    Solutions of stable free radicals of the nitroxide type have been studied as a function of temperature. In the plastic or globular state, the cyclohexane molecules have rapid rotational and diffusional movements. They transmit this movement to dissolved free radicals. Conversely, measurements by electron spin resonance of the absolute movement of the radicals, and by electron nuclear double resonance of their movement relative to the cyclohexane molecules give very precise methods for local analyses of the movement present in the cyclohexane matrix. The principle of these techniques makes up the 'radical probe method'. (author) [French] Des solutions de radicaux libres stables, du type nitroxyde dans le cyclohexane ont ete etudiees, en fonction de la temperature. Les molecules de cyclohexane, dans l'etat plastique ou globulaire, sont animees de mouvements rapides de rotation sur elles-memes et de diffusion. Elles transmettent leur mobilite aux radicaux libres dissous. Reciproquement, la mesure du mouvement absolu des radicaux, a l'aide de la resonance paramagnetique electronique, et celle du mouvement relatif des radicaux et des molecules de cyclohexane par double resonance electronique-nucleaire, constituent des methodes tres precises pour analyser localement les mouvements presents dans la matrice de cyclohexane. Ce principe et ces techniques constituent la 'methode de la sonde radicalaire'. (auteur)

  18. Contribution to the study of molecular movements in cyclohexane by electron spin resonance and electron-nuclear double resonance using a radical probe; Contribution a l'etude des mouvements moleculaires dans le cyclohexane par resonance paramagnetique electronique et double resonance electronique-nucleaire a l'aide d'une sonde radicalaire

    Energy Technology Data Exchange (ETDEWEB)

    Volino, F. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    Solutions of stable free radicals of the nitroxide type have been studied as a function of temperature. In the plastic or globular state, the cyclohexane molecules have rapid rotational and diffusional movements. They transmit this movement to dissolved free radicals. Conversely, measurements by electron spin resonance of the absolute movement of the radicals, and by electron nuclear double resonance of their movement relative to the cyclohexane molecules give very precise methods for local analyses of the movement present in the cyclohexane matrix. The principle of these techniques makes up the 'radical probe method'. (author) [French] Des solutions de radicaux libres stables, du type nitroxyde dans le cyclohexane ont ete etudiees, en fonction de la temperature. Les molecules de cyclohexane, dans l'etat plastique ou globulaire, sont animees de mouvements rapides de rotation sur elles-memes et de diffusion. Elles transmettent leur mobilite aux radicaux libres dissous. Reciproquement, la mesure du mouvement absolu des radicaux, a l'aide de la resonance paramagnetique electronique, et celle du mouvement relatif des radicaux et des molecules de cyclohexane par double resonance electronique-nucleaire, constituent des methodes tres precises pour analyser localement les mouvements presents dans la matrice de cyclohexane. Ce principe et ces techniques constituent la 'methode de la sonde radicalaire'. (auteur)

  19. Hazardous solvent substitution

    International Nuclear Information System (INIS)

    Twitchell, K.E.

    1995-01-01

    This article is an overview of efforts at INEL to reduce the generation of hazardous wastes through the elimination of hazardous solvents. To aid in their efforts, a number of databases have been developed and will become a part of an Integrated Solvent Substitution Data System. This latter data system will be accessible through Internet

  20. Isolation, identification and characterization of organic solvent tolerant protease from Bacillus sp. DAF-01

    Directory of Open Access Journals (Sweden)

    Arastoo Badoei-Dalfard

    2012-01-01

    Full Text Available Introduction: Organic solvent-tolerant bacteria are relatively novel extermophilic microorganisms, which can produce organic tolerant protease with capacity of being used in industrial biotechnology for producing high-value compounds. Therefore, finding of these bacteria has drawn much researchers attention nowadays. Materials and Methods: In this project, samples were collected from a hot spring, located in Jiroft. Samples were incubated in medium supplemented with cyclohexane and toluene for 3 days. Screening of protease producing bacteria was performed on the specific media, SKM (Skim milk agar, based on clear area diameter. The best bacterium was identified based on 16s rDNA gene. Protease activity was considered in different temperatures, pH and organic solvents.Results: Sequence alignment and phylogenetic tree results showed that this bacteria was closely related to Bacillus niacini, with 97% homology. Enzymatic studies showed that, this enzyme was active at a wide range of temperatures, 20-90 °C and it,s optimal activity was in 60 °C. In addition, maximum protease activity was obtained in the 8-9 range of pH, and optimal stability was also at pH 9.0. Protease activity in the presence of methanol, toluene, isopropanol, cyclohexane and DMF ‏showed that, remaining activity was at least 80% compared to the control (without organic solvent Discussion and Conclusion: Thermopilic capacity, being active in alkaline protease and high protease stability in the presence of organic solvents all herald a remarkable application for using in different industries.

  1. Polarisation of the spontaneous emission from nonpolar and semipolar InGaN quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Schade, Lukas; Schwarz, Ulrich [Department of Microsystems Engineering, University of Freiburg (IMTEK) (Germany); Fraunhofer Institute for Applied Solid State Physics (IAF) (Germany); Ploch, Simon; Wernicke, Tim [Institute of Solid State Physics, Technical University Berlin (Germany); Knauer, Arne; Hoffmann, Veit; Weyers, Markus [Ferdinand-Braun-Institute (FBH) (Germany); Kneissl, Michael [Institute of Solid State Physics, Technical University Berlin (Germany); Ferdinand-Braun-Institute (FBH) (Germany)

    2011-07-01

    Spontaneously emitted light stemming from semipolar and nonpolar InGaN quantum wells is polarized. This property is a consequence of the broken in-plane symmetry of non c-plane wurtzite quantum wells. We studied the polarized photoluminescence of semipolar and nonpolar InGaN/InGaN multi quantum wells grown on low defect density GaN substrates with a setup for confocal microscopy. For excitation of charge carriers we use a 375 nm diode laser. The photoluminescence is collected with an objective of small NA, to avoid polarisation scrambling, and analyzed with a broadband polarizer and a spectrometer. The experimental results are compared to k.p band structure calculations for semipolar and nonpolar InGaN quantum wells. These simulations provide the polarisation degree of the confined states of the valence band and their energetic splitting. Next, from the thermal occupation the polarized spectra are calculated. The comparison with experimental results allows the determination of the valence subband splitting. Our experiments show a splitting of the two topmost valence subbands in nonpolar direction which is larger than predicted.

  2. Polarization-dependent photoluminescence studies of semipolar and nonpolar InGaN quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Schade, Lukas; Schwarz, Ulrich [IAF, Freiburg (Germany); Wernicke, Tim; Weyers, Markus [FBH, Berlin (Germany); Kneissl, Michael [FBH, Berlin (Germany); Institute of Solid State Physics, TU Berlin (Germany)

    2010-07-01

    Light emitted from optical devices based on semi- and nonpolar GaN quantum well (QW) structures is partially or totally polarized, as a consequence of crystal symmetry and band structure. This can be an additional advantage over polar (0001)GaN in specific applications, e.g. in LED backlighting. Fundamentally, the polarized emission stems from breaking the isotropic symmetry of the hexagonal c-plane, resulting in two discrete semi- and nonpolar directions (parallel and normal to the projection of (0001)). We use the k.p method to simulate the crystal-direction dependent emission. The resulting transition matrix elements assign a specific (partial) polarization for each subband. The thermal occupation of the subbands results in a temperature dependent effective polarization of the light emission. We study MOVPE grown homoepitactical polar, semi- and nonpolar samples, measuring the polarization properties of the resonantly excited photoluminescence from the QW. With the complete polarization of the subbands for nonpolar devices it is possible to measure the energetic difference of the first two valence band levels. In contrast to our calculations we find a higher degree of polarization also in semipolar directions. A possible explanation could be a higher energetic subband difference than computed.

  3. Passive sampling in regulatory chemical monitoring of nonpolar organic compounds in the aquatic environment

    NARCIS (Netherlands)

    Booij, K.; Robinson, C.D.; Burgess, R.M.; Mayer, P.; Roberts, C.A.; Ahrens, L.; Allan, I.J.; Brant, J.; Jones, L.; Kraus, U.R.; Larsen, M.M.; Lepom, P.; Petersen, J.; Pröfrock, D.; Roose, P.; Schäfer, S.; Smedes, F.; Tixier, C.; Vorkamp, K.; Whitehouse, P.

    2016-01-01

    We reviewed compliance monitoring requirements in the EuropeanUnion, the United States, and the Oslo-Paris Convention for the protection of themarine environment of the North-East Atlantic, and evaluated if these are met bypassive sampling methods for nonpolar compounds. The strengths

  4. Role of the electronegativity for the interface properties of non-polar heterostructures

    KAUST Repository

    Nazir, Safdar; Singh, Nirpendra; Kahaly, M. Upadhyay; Schwingenschlö gl, Udo

    2012-01-01

    Density functional theory is used to investigate the interfaces in the non-polar ATiO 3/SrTiO 3 (A=Pb, Ca, Ba) heterostructures. All TiO 2-terminated interfaces show an insulating behavior. By reduction of the O content in the AO, SrO, and TiO 2

  5. Temperature programmed retention indices : calculation from isothermal data Part 2: Results with nonpolar columns

    NARCIS (Netherlands)

    Curvers, J.M.P.M.; Rijks, J.A.; Cramers, C.A.M.G.; Knauss, K.; Larson, P.

    1985-01-01

    The procedure for calculating linear temperature programmed indices as described in part 1 has been evaluated using five different nonpolar columns, with OV-1 as the stationary phase. For fourty-three different solutes covering five different classes of components, including n-alkanes and

  6. The influence of non-polar lipids on tear film dynamics

    KAUST Repository

    Bruna, M.; Breward, C.  J.  W.

    2014-01-01

    © 2014 Cambridge University Press. In this paper we examine the effect that physiological non-polar lipids, residing on the surface of an aqueous tear film, have on the film evolution. In our model we track the evolution of the thickness of the non

  7. Uranium extraction from colofanite via organic solvents

    International Nuclear Information System (INIS)

    Ribeiro, Valeria Aparecida Leitao

    2007-01-01

    This work describes the use of pure or combined extractants dissolved in organic solvents for quantitative uranium recovery from colofanite, a fluoroapatite ore, from Itataia, Santa Quiteria, Ceara, Brazil. This ore contains the highest brazilian uranium reserve. The metal is associated to phosphate species. The ore is digested with sulfuric acid (wet process), producing phosphoric acid, which is used for manufacturing of fertilizers and animal food. >From the acid leaching, some systems for uranium recovery were tested. Among them, PC88A (2-ethyl-hexyl phosphonic acid, mono-2-ethyl-hexyl ester) 40% vol. and DEHPA (di(2-ethyl-hexyl)phosphoric acid) 40% vol. in kerosene presented the highest values for the distribution coefficient (D) for uranium. When synergistic systems were employed, the best results were obtained for DEHPA 40%vol. + PC88A 40%vol. and DEHPA 40% vol. + TOPO (trioctylphosphine oxide) 5% vol. in kerosene. 15% wt/v sodium carbonate was the best medium for uranium stripping and separation from iron, the main interfering element. Uranium was precipitated as sodium diuranate by adding sodium hydroxide (5,0 mol L -1 ). Thorium in the raffinate was extracted by TOPO (0,1% vol.) in cyclohexane. The radioactivity level of the final aqueous waste is similar to natural background, according to CNEN-NE 6.05 Norm. After neutralization, the solid can be co-processed, according to the Directory 264 from the National Brazilian Environmental Council (CONAMA), whereas the treated effluent can be discarded according to the Directory 357 from CONAMA. (author)

  8. Surface chemistry and electronic structure of nonpolar and polar GaN films

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Monu; Krishna, T.C. Shibin; Aggarwal, Neha; Gupta, Govind, E-mail: govind@nplindia.org

    2015-08-01

    Highlights: • Surface chemistry and electronic structure of polar and nonpolar GaN is reported. • Influence of polarization on electron affinity of p & np GaN films is investigated. • Correlation between surface morphology and polarity has been deduced. - Abstract: Photoemission and microscopic analysis of nonpolar (a-GaN/r-Sapphire) and polar (c-GaN/c-Sapphire) epitaxial gallium nitride (GaN) films grown via RF-Molecular Beam Epitaxy is reported. The effect of polarization on surface properties like surface states, electronic structure, chemical bonding and morphology has been investigated and correlated. It was observed that polarization lead to shifts in core level (CL) as well as valence band (VB) spectra. Angle dependent X-ray Photoelectron Spectroscopic analysis revealed higher surface oxide in polar GaN film compared to nonpolar GaN film. On varying the take off angle (TOA) from 0° to 60°, the Ga−O/Ga−N ratio varied from 0.11–0.23 for nonpolar and 0.17–0.36 for polar GaN film. The nonpolar film exhibited N-face polarity while Ga-face polarity was perceived in polar GaN film due to the inherent polarization effect. Polarization charge compensated surface states were observed on the polar GaN film and resulted in downward band bending. Ultraviolet photoelectron spectroscopic measurements revealed electron affinity and ionization energy of 3.4 ± 0.1 eV and 6.8 ± 0.1 eV for nonpolar GaN film and 3.8 ± 0.1 eV and 7.2 ± 0.1 eV for polar GaN film respectively. Field Emission Scanning Electron Microscopy measurements divulged smooth morphology with pits on polar GaN film. The nonpolar film on the other hand showed pyramidal structures having facets all over the surface.

  9. Solvent/oxidant-switchable synthesis of multisubstituted quinazolines and benzimidazoles via metal-free selective oxidative annulation of arylamidines.

    Science.gov (United States)

    Lin, Jian-Ping; Zhang, Feng-Hua; Long, Ya-Qiu

    2014-06-06

    A fast and simple divergent synthesis of multisubstituted quinazolines and benzimidazoles was developed from readily available amidines, via iodine(III)-promoted oxidative C(sp(3))-C(sp(2)) and C(sp(2))-N bond formation in nonpolar and polar solvents, respectively. Further selective synthesis of quinazolines in polar solvent was realized by TEMPO-catalyzed sp(3)C-H/sp(2)C-H direct coupling of the amidine with K2S2O8 as the oxidant. No metal, base, or other additives were needed.

  10. The Synthesis, Characterization and Dehydrogenation of Sigma‐Complexes of BN‐Cyclohexanes

    Science.gov (United States)

    Kumar, Amit; Ishibashi, Jacob S. A.; Hooper, Thomas N.; Mikulas, Tanya C.; Dixon, David A.

    2015-01-01

    Abstract The coordination chemistry of the 1,2‐BN‐cyclohexanes 2,2‐R2‐1,2‐B,N‐C4H10 (R2=HH, MeH, Me2) with Ir and Rh metal fragments has been studied. This led to the solution (NMR spectroscopy) and solid‐state (X‐ray diffraction) characterization of [Ir(PCy3)2(H)2(η2η2‐H2BNR2C4H8)][BArF 4] (NR2=NH2, NMeH) and [Rh(iPr2PCH2CH2CH2PiPr2)(η2η2‐H2BNR2C4H8)][BArF 4] (NR2=NH2, NMeH, NMe2). For NR2=NH2 subsequent metal‐promoted, dehydrocoupling shows the eventual formation of the cyclic tricyclic borazine [BNC4H8]3, via amino‐borane and, tentatively characterized using DFT/GIAO chemical shift calculations, cycloborazane intermediates. For NR2=NMeH the final product is the cyclic amino‐borane HBNMeC4H8. The mechanism of dehydrogenation of 2,2‐H,Me‐1,2‐B,N‐C4H10 using the {Rh(iPr2PCH2CH2CH2PiPr2)}+ catalyst has been probed. Catalytic experiments indicate the rapid formation of a dimeric species, [Rh2(iPr2PCH2CH2CH2PiPr2)2H5][BArF 4]. Using the initial rate method starting from this dimer, a first‐order relationship to [amine‐borane], but half‐order to [Rh] is established, which is suggested to be due to a rapid dimer–monomer equilibrium operating. PMID:26602704

  11. Pressure and solvent shifts of charge transfer absorption band of iodine complexes

    International Nuclear Information System (INIS)

    Sawamura, Seiji; Taniguchi, Yoshihiro; Suzuki, Keizo

    1979-01-01

    Absorption spectra of the CT band of I 2 complexes were observed in several nonpolar solvents at 1 bar, and in heptane up to 4400 bar. All solvent shifts were red with an increase in (n 2 - 1)/(2n 2 + 1), the refractive index (n) function of solvents, consistent with the solvent shift theory. On the other hand pressure caused a variety of shifts, that is, red shifts in benzene-, toluene-, and mesitylene-I 2 complexes, an inversion shift from red to blue in HMB-I 2 complex, and blue shifts in Et 3 N-, n-Pr 3 N-, and n-Bu 3 N-I 2 complexes, though increase in pressure invariably raises the (n 2 - 1)/(2n 2 + 1) value of solvent. The pressure shifts of I 2 complexes seem to be interpreted by a sum of two effects. One is the increased polarity of the solvent, which causes a red shift. The other is the decrease in the bond distance between a donor and an acceptor, which contributes to a blue shift in a strong CT complex and to a red shift in a week one. The pressure and solvent shifts of I 2 complexes were compared with those of π-donor-TCNE complexes. (author)

  12. Solvent - solute interaction

    International Nuclear Information System (INIS)

    Urbanczyk, A.; Kalinowski, M.K.

    1983-01-01

    The electronic absorption spectrum of vanadyl acetylacetonate has been studied in 15 organic solvents. It has been found that wavenumbers and molar absorptivities of the long-wavelength bands (d-d transitions) can be well described by a complementary Lewis acid-base model including Gutmann's donor number [Gutmann V., Wychera E., Inorg. Nucl. Chem. Letters 2, 257 (1966)] and acceptor number [Mayer U., Gutmann V., Gerger W., Monatsh. Chem. 106, 1235 (1975)] of a solvent. This model describes also the solvent effect of the hyperfine splitting constant, Asub(iso)( 51 V), from e.s.r. spectra of VOacac 2 . These observations are discussed in terms of the donor-acceptor concept for solvent-solute interactions. (Author)

  13. In vitro biocompatibility and proliferative effects of polar and non-polar extracts of cucurbita ficifolia on human mesenchymal stem cells.

    Science.gov (United States)

    Aristatile, Balakrishnan; Alshammari, Ghedeir M

    2017-05-01

    Cucurbita ficifolia (C. ficifolia) has been traditionally known for its medicinal properties as an antioxidant, anti-diabetic and anti-inflammatory agent. However, there has been an enduring attention towards the identification of unique method, to isolate the natural components for therapeutic applications. Our study focuses on different polar and non-polar solvents (methanol, hexane and chloroform) to extract the bioactive components from C. ficifolia (pumpkin) and to study the biocompatibility and cytotoxicity effects on human bone marrow-mesenchymal stem cells (hBM-MSCs). The extracts were screened for their effects on cytotoxicity, cell proliferation and cell cycle on the hBM-MSCs cell line. The assays demonstrated that the chloroform extract was highly biocompatible, with less cytotoxic effect, and enhanced the cell proliferation. The methanol extract did not exhibit significant cytotoxicity when compare to the control. Concordantly, the cell cycle analysis confirmed that chloroform extract enhances the proliferation at lower concentrations. On the other hand, hexane extract showed high level of cytotoxicity with apoptotic and necrotic changes in hBM-MSCs. Collectively, our data revealed that chloroform is a good candidate to extract the bioactive components from C. ficifolia. Furthermore, our results suggest that specific gravity and density of the solvent might play a crucial role in the extraction process, which warrants further investigations. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  14. How do glycerol and dimethyl sulphoxide affect local tetrahedral structure of water around a nonpolar solute at low temperature? Importance of preferential interaction

    Science.gov (United States)

    Daschakraborty, Snehasis

    2018-04-01

    Glycerol and dimethyl sulphoxide (DMSO) have vital roles in cryoprotection of living cells, tissues, etc. The above action has been directly linked with disruption of hydrogen (H-) bond structure and dynamics of water by these cosolvents at bulk region and around various complex units, such as peptide, amino acid, protein, and lipid membrane. However, the disruption of the local structure of the water solvent around a purely hydrophobic solute is still not studied extensively. The latter is also important in the context of stabilization of protein from cold denaturation. Through all-atom molecular dynamics simulation, we have investigated the comparative effect of glycerol and DMSO on the orientational order of water around a nonpolar solute at -5 °C. A steady reduction of the tetrahedral order of water is observed at bulk (>10 Å distance from the solute) and solute interface (structure of the interfacial water more than that of the bulk water, glycerol affects the water structure almost uniformly at all regions around the solute. Furthermore, while glycerol helps to retain water molecules at the interface, DMSO significantly reduces the water content in that region. We have put forward a plausible mechanism for these contrasting roles of these cosolvents. The solute-cosolvent hydrophobic-interaction-induced orientational alignment of an interfacial cosolvent molecule determines whether the involvement of the cosolvent molecules in H-bonding with solvent water in the interface is akin to the bulk region or not.

  15. Elimination, distribution and metabolism of lindane (gamma Hexachloro cyclohexane) in male goat

    International Nuclear Information System (INIS)

    Elozargani, Gaafar A.; Elfahal, Rihab Ali

    2001-01-01

    Elimination, distribution in tissues and metabolic degradation of lindane insecticide (gamma hexachlorocyclohexane) were studied in male Nubian goat (Cappara aegagrus Hircus). The goat was dosed orally with 262.76 mg 14 C-lindane equivalent to one fourth of its lethal dose (LD50). Urine and faeces were collected for two weeks following the application date and the radioactivity was measured in order to determine the rate of the insecticide elimination from the animal body. Lindane elimination was found to be initially fairly rapid, principally via urine (19.6% of the applied dose was detected in urine and 3.1% in faeces). However, it was observed that total recovery of the insecticide via faeces and urine is low. After two weeks, the animal was sacrificed and samples of the brain, liver, kidneys, heart, lungs, legs muscles, and abdominal fat were collected. The percentage of the total radioactivity detected in all tissue sample was 0.29% of the applied radioactive Lindane. The fat contained 48.25% of this percentage, 29.78% was detected in the liver, 9.05% in the lungs and 8.72% in the heart. Smaller percentages were detected in the other tissues. Urine and faeces extracted, analysed and their contents of lindane metabolites were Identified using autoradiography. It was found that 23% of the labeled lindane detected in urine was extracted unchanged. A nonpolar compound possibly a trichlorophenol represented 26% of the radioactivity detected in urine, while 51% was represented in highly polar compound and conjugates

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  17. (1S*,2S*,4R*,5R*-Cyclohexane-1,2,4,5-tetracarboxylic acid

    Directory of Open Access Journals (Sweden)

    Akira Uchida

    2014-01-01

    Full Text Available The title compound, C10H12O8, a prospective raw material for colourless polyimides which are applied to electronic and microelectronic devices, lies about an inversion centre and the cyclohexane ring adopts a chair conformation. Two crystallographycally independent carboxylic acid groups on adjacent C atoms are in equatorial positions, resulting in a mutually trans conformation. In the crystal, O—H...O hydrogen bonds around an inversion centre and a threefold rotoinversion axis, respectively, form an inversion dimer with an R22(8 motif and a trimer with an R33(12 motif.

  18. Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives

    OpenAIRE

    Marianski, Mateusz; Asensio, Amparo; Dannenberg, J. J.

    2012-01-01

    We compare the energetic and structural properties of fully optimized α-helical and antiparallel β-sheet polyalanines and the energetic differences between axial and equatorial conformations of three cyclohexane derivatives (methyl, fluoro, and chloro) as calculated using several functionals designed to treat dispersion (B97-D, ωB97x-D, M06, M06L, and M06-2X) with other traditional functionals not specifically parametrized to treat dispersion (B3LYP, X3LYP, and PBE1PBE) and with experimental ...

  19. Multiphoton control of the 1,3-cyclohexadiene ring-opening reaction in the presence of competing solvent reactions.

    Science.gov (United States)

    Carroll, Elizabeth C; White, James L; Florean, Andrei C; Bucksbaum, Philip H; Sension, Roseanne J

    2008-07-31

    Although physical chemistry has often concentrated on the observation and understanding of chemical systems, the defining characteristic of chemistry remains the direction and control of chemical reactivity. Optical control of molecular dynamics, and thus of chemical reactivity provides a path to use photon energy as a smart reagent in a chemical system. In this paper, we discuss recent research in this field in the context of our studies of the multiphoton optical control of the photo-initiated ring-opening reaction of 1,3-cyclohexadiene (CHD) to form 1,3,5- cis-hexatriene (Z-HT). Closed-loop feedback and learning algorithms are able to identify pulses that increase the desired target state by as much as a factor of two. Mechanisms for control are discussed through the influence of the intensity dependence, the nonlinear power spectrum, and the projection of the pulses onto low orders of polynomial phase. Control measurements in neat solvents demonstrate that competing solvent fragmentation reactions must also be considered. In particular, multiphoton excitation of cyclohexane alone is capable of producing hexatriene. Statistical analyses of data sets obtained in learning algorithm searches in neat cyclohexane and for CHD in hexane and cyclohexane highlight the importance of linear and quadratic chirp, while demonstrating that the control features are not so easily defined. Higher order phase components are also important. On the basis of these results the involvement of low-frequency ground-state vibrational modes is proposed. When the population is transferred to the excited state, momentum along the torsional coordinate may keep the wave packet localized as it moves toward the conical intersections controlling the yield of Z-HT.

  20. Purex process solvent: literature review

    Energy Technology Data Exchange (ETDEWEB)

    Geier, R.G.

    1979-10-01

    This document summarizes the data on Purex process solvent presently published in a variety of sources. Extracts from these various sources are presented herein and contain the work done, the salient results obtained, and the original, unaltered conclusions of the author of each paper. Three major areas are addressed: solvent stability, solvent quality testing, and solvent treatment processes. 34 references, 44 tables.

  1. Purex process solvent: literature review

    International Nuclear Information System (INIS)

    Geier, R.G.

    1979-10-01

    This document summarizes the data on Purex process solvent presently published in a variety of sources. Extracts from these various sources are presented herein and contain the work done, the salient results obtained, and the original, unaltered conclusions of the author of each paper. Three major areas are addressed: solvent stability, solvent quality testing, and solvent treatment processes. 34 references, 44 tables

  2. Cyclodextrin Films with Fast Solvent Transport and Shape-Selective Permeability

    KAUST Repository

    Villalobos, Luis Francisco

    2017-04-24

    This study describes the molecular-level design of a new type of filtration membrane made of crosslinked cyclodextrins-inexpensive macrocycles of glucose, shaped like hollow truncated cones. The channel-like cavities of cyclodextrins spawn numerous paths of defined aperture in the separation layer that can effectively discriminate between molecules. The transport of molecules through these membranes is highly shape-sensitive. In addition, the presence of hydrophobic (cavity) and hydrophilic (ester-crosslinked outer part) domains in these films results in high permeances for both polar and nonpolar solvents.

  3. Passive Sampling in Regulatory Chemical Monitoring of Nonpolar Organic Compounds in the Aquatic Environment

    DEFF Research Database (Denmark)

    Booij, Kees; Robinson, Craig D; Burgess, Robert M

    2016-01-01

    We reviewed compliance monitoring requirements in the European Union, the United States, and the Oslo-Paris Convention for the protection of the marine environment of the North-East Atlantic, and evaluated if these are met by passive sampling methods for nonpolar compounds. The strengths...... is the best available technology for chemical monitoring of nonpolar organic compounds. Key issues to be addressed by scientists and environmental managers are outlined....... and shortcomings of passive sampling are assessed for water, sediments, and biota. Passive water sampling is a suitable technique for measuring concentrations of freely dissolved compounds. This method yields results that are incompatible with the EU's quality standard definition in terms of total concentrations...

  4. Broadband non-polarizing terahertz beam splitters with variable split ratio

    KAUST Repository

    Wei, Minggui

    2017-08-15

    Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

  5. Broadband non-polarizing terahertz beam splitters with variable split ratio

    Science.gov (United States)

    Wei, Minggui; Xu, Quan; Wang, Qiu; Zhang, Xueqian; Li, Yanfeng; Gu, Jianqiang; Tian, Zhen; Zhang, Xixiang; Han, Jiaguang; Zhang, Weili

    2017-08-01

    Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

  6. Multi-wavelength metal-dielectric nonpolarizing beam splitters in the near-infrared range

    Science.gov (United States)

    Hui Shi, Jin; Ping Wang, Zheng; Ying Guan, Chun; Yang, Jun; Shu Fu, Tian

    2011-04-01

    A 21-layer multi-wavelength metal-dielectric nonpolarizing cube beam splitter was designed by use of an optimization method and theoretically investigated in the near-infrared range. The angular dependence of the reflectance and differential phases induced by reflection and transmission were presented. The simulation results revealed that the non-polarizing effect could be achieved for both the amplitude and phase characteristics at 1310 and 1550 nm. The differences between the simulated and the target reflectance of 50% are less than 2% and differential phases are less than 5°in the range 1300-1320 nm and 1540-1550 nm for both p- and s-components.

  7. Broadband non-polarizing terahertz beam splitters with variable split ratio

    KAUST Repository

    Wei, Minggui; Xu, Quan; Wang, Qiu; Zhang, Xueqian; Li, Yanfeng; Gu, Jianqiang; Tian, Zhen; Zhang, Xixiang; Han, Jiaguang; Zhang, Weili

    2017-01-01

    Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

  8. Observations of Rabi oscillations in a non-polar InGaN quantum dot

    International Nuclear Information System (INIS)

    Reid, Benjamin P. L.; Chan, Christopher C. S.; Taylor, Robert A.; Kocher, Claudius; Zhu, Tongtong; Oehler, Fabrice; Emery, Robert; Oliver, Rachel A.

    2014-01-01

    Experimental observation of Rabi rotations between an exciton excited state and the crystal ground state in a single non-polar InGaN quantum dot is presented. The exciton excited state energy is determined by photoluminescence excitation spectroscopy using two-photon excitation from a pulsed laser. The population of the exciton excited state is seen to undergo power dependent damped Rabi oscillations.

  9. Observations of Rabi oscillations in a non-polar InGaN quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Reid, Benjamin P. L., E-mail: benjamin.reid@physics.ox.ac.uk; Chan, Christopher C. S.; Taylor, Robert A. [Department of Physics, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Kocher, Claudius [Department of Physics, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Konstanz University, Konstanz (Germany); Zhu, Tongtong; Oehler, Fabrice; Emery, Robert; Oliver, Rachel A. [Department of Materials Science and Metallurgy, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom)

    2014-06-30

    Experimental observation of Rabi rotations between an exciton excited state and the crystal ground state in a single non-polar InGaN quantum dot is presented. The exciton excited state energy is determined by photoluminescence excitation spectroscopy using two-photon excitation from a pulsed laser. The population of the exciton excited state is seen to undergo power dependent damped Rabi oscillations.

  10. Critical thickness for the formation of misfit dislocations originating from prismatic slip in semipolar and nonpolar III-nitride heterostructures

    KAUST Repository

    Smirnov, A. M.; Young, E. C.; Bougrov, V. E.; Speck, J. S.; Romanov, A. E.

    2016-01-01

    We calculate the critical thickness for misfit dislocation (MD) formation in lattice mismatched semipolar and nonpolar III-nitride wurtzite semiconductor layers for the case of MDs originated from prismatic slip (PSMDs). It has been shown

  11. Separation by solvent extraction

    International Nuclear Information System (INIS)

    Holt, C.H. Jr.

    1976-01-01

    In a process for separating fission product values from U and Pu values contained in an aqueous solution, an oxidizing agent is added to the solution to secure U and Pu in their hexavalent state. The aqueous solution is contacted with a substantially water-immiscible organic solvent with agitation while the temperature is maintained at from -1 to -2 0 C until the major part of the water present is frozen. The solid ice phase is continuously separated as it is formed and a remaining aqueous liquid phase containing fission product values and a solvent phase containing Pu and U values are separated from each other. The last obtained part of the ice phase is melted and added to the separated liquid phase. The resulting liquid is treated with a new supply of solvent whereby it is practically depleted of U and Pu

  12. Stepwise swelling of a thin film of lamellae-forming poly(styrene-b- butadiene) in cyclohexane vapor

    KAUST Repository

    Di, Zhenyu; Posselt, Dorthe; Smilgies, Detlef Matthias; Li, Ruipeng; Rauscher, Markus; Potemkin, Igor I.; Papadakis, Christine M.

    2012-01-01

    We investigated the swelling of a thin film of lamellae-forming poly(styrene-b-butadiene) in cyclohexane vapor. The vapor pressure and thus the degree of swelling of the film are increased in a stepwise manner using a custom-built sample cell. The resulting structural changes during and after each step were followed in situ using time-resolved grazing-incidence small-angle X-ray scattering (GISAXS). During the first step, the lamellar thickness increases strongly, before it decreases again. At the same time, the full width at half-maximum (FWHM) of the diffuse Bragg reflection along the film normal has a sharp maximum. These observations point to the formation of new lamellae. During the subsequent swelling steps, the lamellar thickness overshoots only weakly. The behavior thus resembles qualitatively our previous results on a similar thin film during swelling in saturated vapor of cyclohexane; however, it deviates from earlier theoretical predictions. We propose a theory that is quantitatively correct for the description of the dependence of the lamellar thickness on the polymer volume fraction in the late stage of the swelling steps. © 2012 American Chemical Society.

  13. Triptycene-Based Microporous Cyanate Resins for Adsorption/Separations of Benzene/Cyclohexane and Carbon Dioxide Gas.

    Science.gov (United States)

    Deng, Gaoyang; Wang, Zhonggang

    2017-11-29

    Triptycene-based cyanate monomers 2,6,14-tricyanatotriptycene (TPC) and 2,6,14-tris(4-cyanatophenyl)triptycene (TPPC) that contain different numbers of benzene rings per molecule were synthesized, from which two microporous cyanate resins PCN-TPC and PCN-TPPC were prepared. Of interest is the observation that the two polymers have very similar porosity parameters, but PCN-TPPC uptakes considerably higher benzene (77.8 wt %) than PCN-TPC (17.6 wt %) at room temperature since the higher concentration of phenyl groups in PCN-TPPC enhances the π-π interaction with benzene molecules. Besides, the adsorption capacity of benzene in PCN-TPPC is dramatically 7 times as high as that of cyclohexane. Contrary to the adsorption of organic vapors, at 273 K and 1.0 bar, PCN-TPC with more heteroatoms in the network skeleton displays larger uptake of CO 2 and higher CO 2 /N 2 selectivity (16.4 wt %, 60) than those of PCN-TPPC (14.0 wt %, 39). The excellent and unique adsorption properties exhibit potential applications in the purification of small molecular organic hydrocarbons, e.g., separation of benzene from benzene/cyclohexane mixture as well as CO 2 capture from flue gas. Moreover, the results are helpful for deeply understanding the effect of porous and chemical structures on the adsorption properties of organic hydrocarbons and CO 2 gas.

  14. Biotransformation of Bicyclic Halolactones with a Methyl Group in the Cyclohexane Ring into Hydroxylactones and Their Biological Activity

    Directory of Open Access Journals (Sweden)

    Katarzyna Wińska

    2016-10-01

    Full Text Available The aim of this study was the chemical synthesis of a series of halo- and unsaturated lactones, as well as their microbial transformation products. Finally some of their biological activities were assessed. Three bicyclic halolactones with a methyl group in the cyclohexane ring were obtained from the corresponding γ,δ-unsaturated ester during a two-step synthesis. These lactones were subjected to screening biotransformation using twenty two fungal strains. These strains were tested on their ability to transform halolactones into new hydroxylactones. Among the six strains able to catalyze hydrolytic dehalogenation, only two (Fusarium equiseti, AM22 and Yarrowia lipolytica, AM71 gave a product in a high yield. Moreover, one strain (Penicillium wermiculatum, AM30 introduced the hydroxy group on the cyclohexane ring without removing the halogen atom. The biological activity of five of the obtained lactones was tested. Some of these compounds exhibited growth inhibition against bacteria, yeasts and fungi and deterrent activity against peach-potato aphid.

  15. Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives

    Science.gov (United States)

    Marianski, Mateusz; Asensio, Amparo; Dannenberg, J. J.

    2012-07-01

    We compare the energetic and structural properties of fully optimized α-helical and antiparallel β-sheet polyalanines and the energetic differences between axial and equatorial conformations of three cyclohexane derivatives (methyl, fluoro, and chloro) as calculated using several functionals designed to treat dispersion (B97-D, ωB97x-D, M06, M06L, and M06-2X) with other traditional functionals not specifically parametrized to treat dispersion (B3LYP, X3LYP, and PBE1PBE) and with experimental results. Those functionals developed to treat dispersion significantly overestimate interaction enthalpies of folding for the α-helix and predict unreasonable structures that contain Ramachandran ϕ and ψ and C = O…N H-bonding angles that are out of the bounds of databases compiled the β-sheets. These structures are consistent with overestimation of the interaction energies. For the cyclohexanes, these functionals overestimate the stabilities of the axial conformation, especially when used with smaller basis sets. Their performance improves when the basis set is improved from D95** to aug-cc-pVTZ (which would not be possible with systems as large as the peptides).

  16. Azeotropic behaviour of (benzene + cyclohexane + chlorobenzene) ternary mixture using chlorobenzene as entrainer at 101.3 kPa

    International Nuclear Information System (INIS)

    Silva, L.M.C.; Mattedi, S.; Gonzalez-Olmos, R.; Iglesias, M.

    2006-01-01

    In this paper, the azeotropic behaviour of the (benzene + cyclohexane + chlorobenzene) ternary mixture was experimentally investigated with the aim of enhancing the knowledge for the feasible use of chlorobenzene as an entrainer for the azeotropic distillation of the binary azeotrope. Such a study has not been reported in the literature to the best of the authors' knowledge. (Vapour + liquid) equilibria data for (benzene + cyclohexane + chlorobenzene) at 101.3 kPa were obtained with a Othmer-type ebulliometer. Data were tested and considered thermodynamically consistent. The experimental results showed that this ternary mixture is completely miscible and exhibits an unique binary homogeneous azeotrope, an unstable node at the conditions studied, and the propitious topological characteristics (residual curve map and relative volatility) to be separated. Satisfactory results were obtained for the correlation of equilibrium compositions with the UNIQUAC activity coefficients model and also for prediction with the UNIFAC method. In both cases, low root mean square deviations of the vapour mole fraction and temperature were calculated. The capability of chlorobenzene as a modified distillation agent at atmospheric condition is discussed in terms of the thermodynamic topological analysis. A conceptual distillation scheme with reversed volatility is proposed to separate the azeotropic mixture. In order to reduce the operational cost requirements of the sequence of columns proposed, the range for optimal reflux and the ratio for feed flow conditions were studied

  17. Influence of the radio-frequency power on the physical and optical properties of plasma polymerized cyclohexane thin films

    Energy Technology Data Exchange (ETDEWEB)

    Manaa, C., E-mail: chadlia.el.manaa@gmail.com [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, UFR des Sciences d' Amiens, 33 rue Saint Leu, 80039 Amiens CEDEX 2 (France); Laboratoire des Matériaux Avancés et Phénomènes Quantiques, Université de Tunis El-Manar, Faculté des Sciences de Tunis, Campus universitaire El-Manar, 1068 Tunis (Tunisia); Lejeune, M. [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, UFR des Sciences d' Amiens, 33 rue Saint Leu, 80039 Amiens CEDEX 2 (France); Kouki, F. [Laboratoire des Matériaux Avancés et Phénomènes Quantiques, Université de Tunis El-Manar, Faculté des Sciences de Tunis, Campus universitaire El-Manar, 1068 Tunis (Tunisia); Durand-Drouhin, O. [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, UFR des Sciences d' Amiens, 33 rue Saint Leu, 80039 Amiens CEDEX 2 (France); Bouchriha, H. [Laboratoire des Matériaux Avancés et Phénomènes Quantiques, Université de Tunis El-Manar, Faculté des Sciences de Tunis, Campus universitaire El-Manar, 1068 Tunis (Tunisia); and others

    2014-06-02

    We investigate in the present study the effects of the radio-frequency plasma power on the opto-electronical properties of the polymeric amorphous hydrogenated carbon thin films deposited at room temperature and different radio-frequency powers by plasma-enhanced chemical vapor deposition method using cyclohexane as precursor. A combination of U.V.–Visible and infrared transmission measurements is applied to characterize the bonding and electronic properties of these films. Some film properties namely surface roughness, contact angle, surface energy, and optical properties are found to be significantly influenced by the radio-frequency power. The changes in these properties are analyzed within the microstructural modifications occurring during growth. - Highlights: • Effects of the radio-frequency power on the optoelectronic properties of thin films • Elaboration of plasma polymerized thin films using cyclohexane as precursor gas • The use of U.V.–Visible-infrared transmission, and optical gap • Study of the surface topography of the films by using Atomic Force microscopy • The use of a capacitively coupled plasma enhanced chemical vapor deposition method.

  18. Stepwise swelling of a thin film of lamellae-forming poly(styrene-b- butadiene) in cyclohexane vapor

    KAUST Repository

    Di, Zhenyu

    2012-06-26

    We investigated the swelling of a thin film of lamellae-forming poly(styrene-b-butadiene) in cyclohexane vapor. The vapor pressure and thus the degree of swelling of the film are increased in a stepwise manner using a custom-built sample cell. The resulting structural changes during and after each step were followed in situ using time-resolved grazing-incidence small-angle X-ray scattering (GISAXS). During the first step, the lamellar thickness increases strongly, before it decreases again. At the same time, the full width at half-maximum (FWHM) of the diffuse Bragg reflection along the film normal has a sharp maximum. These observations point to the formation of new lamellae. During the subsequent swelling steps, the lamellar thickness overshoots only weakly. The behavior thus resembles qualitatively our previous results on a similar thin film during swelling in saturated vapor of cyclohexane; however, it deviates from earlier theoretical predictions. We propose a theory that is quantitatively correct for the description of the dependence of the lamellar thickness on the polymer volume fraction in the late stage of the swelling steps. © 2012 American Chemical Society.

  19. Influence of the radio-frequency power on the physical and optical properties of plasma polymerized cyclohexane thin films

    International Nuclear Information System (INIS)

    Manaa, C.; Lejeune, M.; Kouki, F.; Durand-Drouhin, O.; Bouchriha, H.

    2014-01-01

    We investigate in the present study the effects of the radio-frequency plasma power on the opto-electronical properties of the polymeric amorphous hydrogenated carbon thin films deposited at room temperature and different radio-frequency powers by plasma-enhanced chemical vapor deposition method using cyclohexane as precursor. A combination of U.V.–Visible and infrared transmission measurements is applied to characterize the bonding and electronic properties of these films. Some film properties namely surface roughness, contact angle, surface energy, and optical properties are found to be significantly influenced by the radio-frequency power. The changes in these properties are analyzed within the microstructural modifications occurring during growth. - Highlights: • Effects of the radio-frequency power on the optoelectronic properties of thin films • Elaboration of plasma polymerized thin films using cyclohexane as precursor gas • The use of U.V.–Visible-infrared transmission, and optical gap • Study of the surface topography of the films by using Atomic Force microscopy • The use of a capacitively coupled plasma enhanced chemical vapor deposition method

  20. Azeotropic behaviour of (benzene + cyclohexane + chlorobenzene) ternary mixture using chlorobenzene as entrainer at 101.3 kPa

    Energy Technology Data Exchange (ETDEWEB)

    Silva, L.M.C. [Departamento de Engenharia Quimica, Escola Politecnica, Universidade Federal da Bahia, 40210 Salvador de Bahia (Brazil); Mattedi, S. [Departamento de Engenharia Quimica, Escola Politecnica, Universidade Federal da Bahia, 40210 Salvador de Bahia (Brazil); Gonzalez-Olmos, R. [Departament d' Enginyeria Quimica, Escola Tecnica Superior d' Enginyeria Quimica, Universitat Rovira i Virgili, Avinguda Paisos Catalans 26, Campus Sescelades, 43007 Tarragona (Spain); Iglesias, M. [Departament d' Enginyeria Quimica, Escola Tecnica Superior d' Enginyeria Quimica, Universitat Rovira i Virgili, Avinguda Paisos Catalans 26, Campus Sescelades, 43007 Tarragona (Spain)]. E-mail: miguelangel.iglesias@urv.net

    2006-12-15

    In this paper, the azeotropic behaviour of the (benzene + cyclohexane + chlorobenzene) ternary mixture was experimentally investigated with the aim of enhancing the knowledge for the feasible use of chlorobenzene as an entrainer for the azeotropic distillation of the binary azeotrope. Such a study has not been reported in the literature to the best of the authors' knowledge. (Vapour + liquid) equilibria data for (benzene + cyclohexane + chlorobenzene) at 101.3 kPa were obtained with a Othmer-type ebulliometer. Data were tested and considered thermodynamically consistent. The experimental results showed that this ternary mixture is completely miscible and exhibits an unique binary homogeneous azeotrope, an unstable node at the conditions studied, and the propitious topological characteristics (residual curve map and relative volatility) to be separated. Satisfactory results were obtained for the correlation of equilibrium compositions with the UNIQUAC activity coefficients model and also for prediction with the UNIFAC method. In both cases, low root mean square deviations of the vapour mole fraction and temperature were calculated. The capability of chlorobenzene as a modified distillation agent at atmospheric condition is discussed in terms of the thermodynamic topological analysis. A conceptual distillation scheme with reversed volatility is proposed to separate the azeotropic mixture. In order to reduce the operational cost requirements of the sequence of columns proposed, the range for optimal reflux and the ratio for feed flow conditions were studied.

  1. NMR-Based Identification of Metabolites in Polar and Non-Polar Extracts of Avian Liver.

    Science.gov (United States)

    Fathi, Fariba; Brun, Antonio; Rott, Katherine H; Falco Cobra, Paulo; Tonelli, Marco; Eghbalnia, Hamid R; Caviedes-Vidal, Enrique; Karasov, William H; Markley, John L

    2017-11-16

    Metabolites present in liver provide important clues regarding the physiological state of an organism. The aim of this work was to evaluate a protocol for high-throughput NMR-based analysis of polar and non-polar metabolites from a small quantity of liver tissue. We extracted the tissue with a methanol/chloroform/water mixture and isolated the polar metabolites from the methanol/water layer and the non-polar metabolites from the chloroform layer. Following drying, we re-solubilized the fractions for analysis with a 600 MHz NMR spectrometer equipped with a 1.7 mm cryogenic probe. In order to evaluate the feasibility of this protocol for metabolomics studies, we analyzed the metabolic profile of livers from house sparrow ( Passer domesticus ) nestlings raised on two different diets: livers from 10 nestlings raised on a high protein diet (HP) for 4 d and livers from 12 nestlings raised on the HP diet for 3 d and then switched to a high carbohydrate diet (HC) for 1 d. The protocol enabled the detection of 52 polar and nine non-polar metabolites in ¹H NMR spectra of the extracts. We analyzed the lipophilic metabolites by one-way ANOVA to assess statistically significant concentration differences between the two groups. The results of our studies demonstrate that the protocol described here can be exploited for high-throughput screening of small quantities of liver tissue (approx. 100 mg wet mass) obtainable from small animals.

  2. Charge transport in non-polar and semi-polar III-V nitride heterostructures

    International Nuclear Information System (INIS)

    Konar, Aniruddha; Verma, Amit; Fang, Tian; Zhao, Pei; Jana, Raj; Jena, Debdeep

    2012-01-01

    Compared to the intense research focus on the optical properties, the transport properties in non-polar and semi-polar III-nitride semiconductors remain relatively unexplored to date. The purpose of this paper is to discuss charge-transport properties in non-polar and semi-polar orientations of GaN in a comparative fashion to what is known for transport in polar orientations. A comprehensive approach is adopted, starting from an investigation of the differences in the electronic bandstructure along different polar orientations of GaN. The polarization fields along various orientations are then discussed, followed by the low-field electron and hole mobilities. A number of scattering mechanisms that are specific to non-polar and semi-polar GaN heterostructures are identified, and their effects are evaluated. Many of these scattering mechanisms originate due to the coupling of polarization with disorder and defects in various incarnations depending on the crystal orientation. The effect of polarization orientation on carrier injection into quantum-well light-emitting diodes is discussed. This paper ends with a discussion of orientation-dependent high-field charge-transport properties including velocity saturation, instabilities and tunneling transport. Possible open problems and opportunities are also discussed. (paper)

  3. Design of reproducible polarized and non-polarized edge filters using genetic algorithm

    International Nuclear Information System (INIS)

    Ejigu, Efrem Kebede; Lacquet, B M

    2010-01-01

    Recent advancement in optical fibre communications technology is partly due to the advancement of optical thin film technology. The advancement of optical thin film technology includes the development of new and existing optical filter design methods. The genetic algorithm is one of the new design methods that show promising results in designing a number of complicated design specifications. It is the finding of this study that the genetic algorithm design method, through its optimization capability, can give more reliable and reproducible designs of any specifications. The design method in this study optimizes the thickness of each layer to get to the best possible solution. Its capability and unavoidable limitations in designing polarized and non-polarized edge filters from absorptive and dispersive materials is well demonstrated. It is also demonstrated that polarized and non-polarized designs from the genetic algorithm are reproducible with great success. This research has accomplished the great task of formulating a computer program using the genetic algorithm in a Matlab environment for the design of a reproducible polarized and non-polarized filters of any sort from any kind of materials

  4. Electric Charge Accumulation in Polar and Non-Polar Polymers under Electron Beam Irradiation

    Science.gov (United States)

    Nagasawa, Kenichiro; Honjoh, Masato; Takada, Tatsuo; Miyake, Hiroaki; Tanaka, Yasuhiro

    The electric charge accumulation under an electron beam irradiation (40 keV and 60 keV) was measured by using the pressure wave propagation (PWP) method in the dielectric insulation materials, such as polar polymeric films (polycarbonate (PC), polyethylene-naphthalate (PEN), polyimide (PI), and polyethylene-terephthalate (PET)) and non-polar polymeric films (polystyrene (PS), polypropylene (PP), polyethylene (PE) and polytetrafluoroethylene (PTFE)). The PE and PTFE (non-polar polymers) showed the properties of large amount of electric charge accumulation over 50 C/m3 and long saturation time over 80 minutes. The PP and PS (non-polar polymer) showed the properties of middle amount of charge accumulation about 20 C/m3 and middle saturation time about 1 to 20 minutes. The PC, PEN, PI and PET (polar polymers) showed the properties of small amount of charge accumulation about 5 to 20 C/m3 and within short saturation time about 1.0 minutes. This paper summarizes the relationship between the properties of charge accumulation and chemical structural formula, and compares between the electro static potential distribution with negative charged polymer and its chemical structural formula.

  5. Electric charge accumulation in polar and non-polar polymers under electron beam irradiation

    International Nuclear Information System (INIS)

    Nagasawa, Kenichiro; Honjoh, Masato; Takada, Tatsuo; Miyake, Hiroaki; Tanaka, Yasuhiro

    2010-01-01

    The electric charge accumulation under an electron beam irradiation (40 keV and 60 keV) was measured by using the pressure wave propagation (PWP) method in the dielectric insulation materials, such as polar polymeric films (polycarbonate (PC), polyethylene-naphthalate (PEN), polyimide (PI), and polyethylene-terephthalate (PET)) and non-polar polymeric films (polystyrene (PS), polypropylene (PP), polyethylene (PE) and polytetrafluoroethylene (PTFE)). The PE and PTFE (non-polar polymers) showed the properties of large amount of electric charge accumulation over 50 C/m 3 and long saturation time over 80 minutes. The PP and PS (non-polar polymer) showed the properties of middle amount of charge accumulation about 20 C/m 3 and middle saturation time about 1 to 20 minutes. The PC, PEN, PI and PET (polar polymers) showed the properties of small amount of charge accumulation about 5 to 20 C/m 3 and within short saturation time about 1.0 minutes. This paper summarizes the relationship between the properties of charge accumulation and chemical structural formula, and compares between the electro static potential distribution with negative charged polymer and its chemical structural formula. (author)

  6. Solvent effects on extraction of polycyclic aromatic hydrocarbons in ambient aerosol samples

    Directory of Open Access Journals (Sweden)

    Flasch Mira

    2016-01-01

    Full Text Available Polycyclic Aromatic Hydrocarbons (PAHs in the ambient particulate matter pose one of the most important issues in the focus of environmental management. The concentration of their representative, Benzo(apyrene (BaP, undergoes limitations according to European Union directive. However, a successful control over the pollution levels and their sources is limited by the high uncertainty of analytical and statistical approaches used for their characterization. Here we compare differences in PAH concentrations related to the use of different solvents in the course of ultrasonic extraction of a certified reference material (PM10-like PAH mixture and filter samples of ambient particulate matter collected in Austria for the CG-MS PAH analysis. Using solvents of increasing polarity: Cyclohexane (0,006, Toluene (0,099, Dichloromethane (0,309, Acetone (0,43 and Acetonitrile (0,460, as well as mixtures of those, filters representing high and low concentrations of particulate matter were investigated. Although some scatter of the obtained concentrations was observed no trend related to the polarity of the solvent became visible. Regarding the reproducibility, which can be expected of PAH analysis no significant difference between the different solvents was determined. This result is valid for all compounds under investigation.

  7. Solubility and solution thermodynamics of 2-methyl-6-nitroaniline in ten organic solvents at elevated temperatures

    International Nuclear Information System (INIS)

    Cong, Yang; Wang, Jian; Du, Cunbin; Han, Shuo; Zhao, Hongkun

    2016-01-01

    Highlights: • Solubility of 2-methyl-6-nitroaniline in ten solvents were determined. • The solubility were correlated with four thermodynamic models. • Standard dissolution enthalpy and excess enthalpy of the solutions were computed. - Abstract: Knowledge of solubility for 2-methyl-6-nitroaniline in different solvents is essential for its purification and further theoretical studies. In this paper, the solid-liquid equilibrium for 2-methyl-6-nitroaniline in ten pure organic solvents (methanol, ethanol, n-propanol, isopropanol, toluene, ethyl acetate, acetonitrile, acetone, cyclohexane and 1,4-dioxane) was established using the isothermal saturation method at temperatures T = (278.15–313.15) K under pressure of 101.2 kPa, and the solubility of 2-methyl-6-nitroaniline in these solvents were determined by a high-performance liquid chromatography (HPLC). In general, the mole fraction solubility followed the following order from high to low in different solvents: 1,4-dioxane (0.1799–0.3390) > acetone (0.1128–0.3010) > ethyl acetate (0.08414–0.2654) > acetonitrile (0.04179–0.2027) > toluene (0.02367–0.1104) > n-propanol (0.01080–0.04514) > ethanol (0.01020–0.04202) > isopropanol (0.008595–0.03763) > methanol (0.007391–0.03198) > cyclohexane (0.001027–0.005617). The modified Apelblat equation, λh equation, Wilson model and NRTL model were employed to correlate the measured solubility data of 2-methyl-6-nitroaniline in the selected solvents. Results indicated that the largest values of RAD and RMSD acquired by the four models were less than 0.76% and 9.13 × 10"−"4, respectively. The modified Apelblat equation provided better results than the other three models. Furthermore, the standard dissolution enthalpy and excess enthalpy of the solutions were computed from the solubility values. The standard dissolution enthalpies vary within the range from (14.88 to 45.57) kJ·mol"−"1 and are all positive, the dissolution process of 2-methyl-6

  8. Solvent Vapour Detection with Cholesteric Liquid Crystals—Optical and Mass-Sensitive Evaluation of the Sensor Mechanism

    Directory of Open Access Journals (Sweden)

    Adnan Mujahid

    2010-05-01

    Full Text Available Cholesteric liquid crystals (CLCs are used as sensitive coatings for the detection of organic solvent vapours for both polar and non-polar substances. The incorporation of different analyte vapours in the CLC layers disturbs the pitch length which changes the optical properties, i.e., shifting the absorption band. The engulfing of CLCs around non-polar solvent vapours such as tetrahedrofuran (THF, chloroform and tetrachloroethylene is favoured in comparison to polar ones, i.e., methanol and ethanol. Increasing solvent vapour concentrations shift the absorbance maximumto smaller wavelengths, e.g., as observed for THF. Additionally, CLCs have been coated on acoustic devices such as the quartz crystal microbalance (QCM to measure the frequency shift of analyte samples at similar concentration levels. The mass effect for tetrachloroethylene was about six times higher than chloroform. Thus, optical response can be correlated with intercalation in accordance to mass detection. The mechanical stability was gained by combining CLCs with imprinted polymers. Therefore, pre-concentration of solvent vapours was performed leading to an additional selectivity.

  9. Organic solvent topical report

    Energy Technology Data Exchange (ETDEWEB)

    COWLEY, W.L.

    1999-05-13

    This report provides the basis for closing the organic solvent safety issue. Sufficient information is presented to conclude that risk posed by an organic solvent fire is within risk evaluation guidelines. This report updates information contained in Analysis of Consequences of Postulated Solvent Fires in Hanford Site Waste Tanks. WHC-SD-WM-CN-032. Rev. 0A (Cowley et al. 1996). However, this document will not replace Cowley et al (1996) as the primary reference for the Basis for Interim Operation (BIO) until the recently submitted BIO amendment (Hanson 1999) is approved by the US Department of Energy. This conclusion depends on the use of controls for preventing vehicle fuel fires and for limiting the use of flame cutting in areas where hot metal can fall on the waste surface.The required controls are given in the Tank Waste Remediation System Technical Safety Requirements (Noorani 1997b). This is a significant change from the conclusions presented in Revision 0 of this report. Revision 0 of this calcnote concluded that some organic solvent fire scenarios exceeded risk evaluation guidelines, even with controls imposed.

  10. Organic solvent topical report

    Energy Technology Data Exchange (ETDEWEB)

    Cowley, W.L.

    1998-04-30

    This report is the technical basis for the accident and consequence analyses used in the Hanford Tank Farms Basis for Interim Operation. The report also contains the scientific and engineering information and reference material needed to understand the organic solvent safety issue. This report includes comments received from the Chemical Reactions Subcommittee of the Tank Advisory Panel.

  11. Organic solvent topical report

    International Nuclear Information System (INIS)

    COWLEY, W.L.

    1999-01-01

    This report provides the basis for closing the organic solvent safety issue. Sufficient information is presented to conclude that risk posed by an organic solvent fire is within risk evaluation guidelines. This report updates information contained in Analysis of Consequences of Postulated Solvent Fires in Hanford Site Waste Tanks. WHC-SD-WM-CN-032. Rev. 0A (Cowley et al. 1996). However, this document will not replace Cowley et al (1996) as the primary reference for the Basis for Interim Operation (BIO) until the recently submitted BIO amendment (Hanson 1999) is approved by the US Department of Energy. This conclusion depends on the use of controls for preventing vehicle fuel fires and for limiting the use of flame cutting in areas where hot metal can fall on the waste surface.The required controls are given in the Tank Waste Remediation System Technical Safety Requirements (Noorani 1997b). This is a significant change from the conclusions presented in Revision 0 of this report. Revision 0 of this calcnote concluded that some organic solvent fire scenarios exceeded risk evaluation guidelines, even with controls imposed

  12. Organic solvent topical report

    International Nuclear Information System (INIS)

    Cowley, W.L.

    1998-01-01

    This report is the technical basis for the accident and consequence analyses used in the Hanford Tank Farms Basis for Interim Operation. The report also contains the scientific and engineering information and reference material needed to understand the organic solvent safety issue. This report includes comments received from the Chemical Reactions Subcommittee of the Tank Advisory Panel

  13. DESIGNING GREENER SOLVENTS

    Science.gov (United States)

    Computer-aided design of chemicals and chemical mixtures provides a powerful tool to help engineers identify cleaner process designs and more-benign alternatives to toxic industrial solvents. Three software programs are discussed: (1) PARIS II (Program for Assisting the Replaceme...

  14. Urinary concentrations of cyclohexane-1,2-dicarboxylic acid monohydroxy isononyl ester, a metabolite of the non-phthalate plasticizer di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH), and markers of ovarian response among women attending a fertility center

    Energy Technology Data Exchange (ETDEWEB)

    Mínguez-Alarcón, Lidia, E-mail: lminguez@hsph.harvard.edu [Department of Environmental Health, Harvard T.H. Chan School of Public Health, Boston (United States); Souter, Irene [Vincent Obstetrics and Gynecology, Massachusetts General Hospital and Harvard Medical School, Boston (United States); Chiu, Yu-Han [Department of Nutrition, Harvard T.H. Chan School of Public Health, Boston (United States); Williams, Paige L. [Department of Epidemiology, and Harvard T.H. Chan School of Public Health, Boston (United States); Department of Biostatistics, Harvard T.H. Chan School of Public Health, Boston (United States); Ford, Jennifer B. [Department of Environmental Health, Harvard T.H. Chan School of Public Health, Boston (United States); Ye, Xiaoyun; Calafat, Antonia M. [National Center for Environmental Health, Centers for Disease Control and Prevention, Atlanta (United States); Hauser, Russ [Department of Environmental Health, Harvard T.H. Chan School of Public Health, Boston (United States); Department of Epidemiology, and Harvard T.H. Chan School of Public Health, Boston (United States); Vincent Obstetrics and Gynecology, Massachusetts General Hospital and Harvard Medical School, Boston (United States)

    2016-11-15

    Di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH), a non-phthalate plasticizer, was introduced commercially in 2002 as an alternative to ortho-phthalate esters because of its favorable toxicological profile. However, the potential health effects from DINCH exposure remain largely unknown. We explored the associations between urinary concentrations of metabolites of DINCH on markers of ovarian response among women undergoing in vitro fertilization (IVF) treatments. Between 2011 and 2015, 113 women enrolled a prospective cohort study at the Massachusetts General Hospital Fertility Center and provided up to two urine samples prior to oocyte retrieval. The urinary concentrations of two DINCH metabolites, cyclohexane-1,2-dicarboxylic acid monohydroxy isononyl ester (MHiNCH) and cyclohexane-1,2-dicarboxylic acid monocarboxyisooctyl ester (MCOCH), were quantified by isotope dilution tandem mass spectrometry. We used generalized linear mixed models to evaluate the association between urinary metabolite concentrations and markers of ovarian response, accounting for multiple IVF cycles per woman via random intercepts. On average, women with detectable urinary MHiNCH concentrations, as compared to those below LOD, had a lower estradiol levels (−325 pmol/l, p=0.09) and number of retrieved oocytes (−1.8, p=0.08), with a stronger association among older women. However, urinary MHiNCH concentrations were unrelated to mature oocyte yield and endometrial wall thickness. In conclusion, we found suggestive negative associations between urinary MHiNCH concentrations and peak estradiol levels and number of total oocyte yields. This is the first study evaluating the effect of DINCH exposure on human reproductive health and raises the need for further experimental and epidemiological studies to better understand the potential effects of this chemical on health. - Highlights: • Women with detectable urinary MHiNCH concentrations had a lower estradiol levels and number of retrieved

  15. Urinary concentrations of cyclohexane-1,2-dicarboxylic acid monohydroxy isononyl ester, a metabolite of the non-phthalate plasticizer di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH), and markers of ovarian response among women attending a fertility center

    International Nuclear Information System (INIS)

    Mínguez-Alarcón, Lidia; Souter, Irene; Chiu, Yu-Han; Williams, Paige L.; Ford, Jennifer B.; Ye, Xiaoyun; Calafat, Antonia M.; Hauser, Russ

    2016-01-01

    Di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH), a non-phthalate plasticizer, was introduced commercially in 2002 as an alternative to ortho-phthalate esters because of its favorable toxicological profile. However, the potential health effects from DINCH exposure remain largely unknown. We explored the associations between urinary concentrations of metabolites of DINCH on markers of ovarian response among women undergoing in vitro fertilization (IVF) treatments. Between 2011 and 2015, 113 women enrolled a prospective cohort study at the Massachusetts General Hospital Fertility Center and provided up to two urine samples prior to oocyte retrieval. The urinary concentrations of two DINCH metabolites, cyclohexane-1,2-dicarboxylic acid monohydroxy isononyl ester (MHiNCH) and cyclohexane-1,2-dicarboxylic acid monocarboxyisooctyl ester (MCOCH), were quantified by isotope dilution tandem mass spectrometry. We used generalized linear mixed models to evaluate the association between urinary metabolite concentrations and markers of ovarian response, accounting for multiple IVF cycles per woman via random intercepts. On average, women with detectable urinary MHiNCH concentrations, as compared to those below LOD, had a lower estradiol levels (−325 pmol/l, p=0.09) and number of retrieved oocytes (−1.8, p=0.08), with a stronger association among older women. However, urinary MHiNCH concentrations were unrelated to mature oocyte yield and endometrial wall thickness. In conclusion, we found suggestive negative associations between urinary MHiNCH concentrations and peak estradiol levels and number of total oocyte yields. This is the first study evaluating the effect of DINCH exposure on human reproductive health and raises the need for further experimental and epidemiological studies to better understand the potential effects of this chemical on health. - Highlights: • Women with detectable urinary MHiNCH concentrations had a lower estradiol levels and number of retrieved

  16. Kinetic isotope effects and tunnelling in the proton-transfer reaction between 4-nitrophenylnitromethane and tetramethylguanidine in various aprotic solvents

    International Nuclear Information System (INIS)

    Caldin, E.F.; Mateo, S.

    1975-01-01

    Rates and equilibrium constants have been determined for the proton-transfer reaction of 4-nitrophenylnitromethane, NO 2 C 6 H 4 CH 2 NO 2 , and its αα-deuterated analogue NO 2 C 6 H 4 CD 2 NO 2 , with the strong base tetramethylguanidine [HN=C(NMe 2 ) 2 ), at temperatures between -60 0 C and +65 0 in a range of aprotic solvents. Spectrophotometry and the stopped-flow technique were used. The reaction is a simple proton-transfer process leading to an ion-pair. The kinetic isotope effects are correlated with the polarity of the solvents, as measured by the dielectric constant or by the empirical parameter Esub(T). In the less polar solvents they are exceptionally large. In toluene, for example, at 25 0 C the rate ratio ksup(H)/ksup(D) = 45 +- 2, the activation energy difference Esub(a)sup(D) - Esub(a)sup(H) =4.3 +- 0.3 kcal molsup(-1) (16 kJ molsup(-1), and the ratio of the pre-exponential factors logsub(10) (Asup(D)/Asup(H)) = 1.5 +- 0.2+ and even larger values of logsub(10)(Asup(D)/Asup(H)) are found for mesitylene (1.94 +- 0.06) and cyclohexane (2.4 +- 0.2). Positive deviations from linear Arrhenius plots are found for these solvents. Tunnelling is the only interpretation that cannot account for these results. For the more polar solvents (dielectric constant 7 to 37), the isotope effects are closer to the range predicted by semi-classical theory. The isotope effects in all solvents have been fitted to Bell's equation for a parabolic barrier, and the barrier dimensions calculated for each solvent. The suggested interpretation of the results is that the solvent-solute interactions affect the height of the barrier and that motions of solvent molecules are coupled with the motion of the proton in the more polar solvents but not in the less polar ones; reorganization of solvent molecules accompanies the proton-transfer in the more polar solvents, but only electron-polarization in the less polar. Tunnelling has large effects in the less polar solvents, where the

  17. Solvent selection methodology for pharmaceutical processes: Solvent swap

    DEFF Research Database (Denmark)

    Papadakis, Emmanouil; Kumar Tula, Anjan; Gani, Rafiqul

    2016-01-01

    A method for the selection of appropriate solvents for the solvent swap task in pharmaceutical processes has been developed. This solvent swap method is based on the solvent selection method of Gani et al. (2006) and considers additional selection criteria such as boiling point difference...... in pharmaceutical processes as well as new solvent swap alternatives. The method takes into account process considerations such as batch distillation and crystallization to achieve the swap task. Rigorous model based simulations of the swap operation are performed to evaluate and compare the performance...

  18. Rotational diffusion of nonpolar and ionic solutes in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imides: is solute rotation always influenced by the length of the alkyl chain on the imidazolium cation?

    Science.gov (United States)

    Gangamallaiah, V; Dutt, G B

    2012-10-25

    In an attempt to find out whether the length of the alkyl chain on the imidazolium cation has a bearing on solute rotation, temperature-dependent fluorescence anisotropies of three structurally similar solutes have been measured in a series of 1-alkyl-3-methylimidazolium (alkyl = methyl, ethyl, propyl, butyl, and hexyl) bis(trifluoromethylsulfonyl)imides. Solute-solvent coupling constants obtained from the experimentally measured reorientation times with the aid of Stokes-Einstein-Debye hydrodynamic theory indicate that there is no influence of the length of the alkyl chain on the rotation of nonpolar, anionic, and cationic solutes 9-phenylanthracene (9-PA), fluorescein (FL), and rhodamine 110 (R110), respectively. It has also been noticed that the rotational diffusion of 9-PA is closer to the predictions of slip hydrodynamics, whereas the rotation of negatively charged FL and positively charged R110 is almost identical and follows stick hydrodynamics in these ionic liquids. Despite having similar shape and size, ionic solutes rotate slower by a factor of 3-4 compared to the nonpolar solute. Interplay of specific and electrostatic interactions between FL and the imidazolium cation of the ionic liquids, and between R110 and the bis(trifluoromethylsulfonyl)imide anion, appear to be responsible for the observed behavior. These results are an indication that the length of the alkyl chain on the imidazolium cation does not alter their physical properties in a manner that has an effect on solute rotation.

  19. Improvements in solvent extraction columns

    International Nuclear Information System (INIS)

    Aughwane, K.R.

    1987-01-01

    Solvent extraction columns are used in the reprocessing of irradiated nuclear fuel. For an effective reprocessing operation a solvent extraction column is required which is capable of distributing the feed over most of the column. The patent describes improvements in solvent extractions columns which allows the feed to be distributed over an increased length of column than was previously possible. (U.K.)

  20. γ-radiation-induced degradation of poly(dimethylsilylene-co-methylphenylsilylene) in cyclohexane and THF-ethyl alcohol solution

    International Nuclear Information System (INIS)

    Oka, Kunio; Nakao, Ren

    1989-01-01

    γ-Irradiation of high molecular weight poly(dimethylsilylene-co-methyl-phenylsilylene) in cyclohexane and THF-ethyl alcohol solutions was carried out in order to study the degradation mechanism. The G s value (number of chain scissions per 100eV radiation energy absorbed) depends on the dose rate but not on the polysilane concentration. No insertion products of dimethylsilylene or methylphenylsilylene into ethyl alcohol were detected, indicating that no silylene evolution mechanism was involved. IR analysis of the irradiated polymer suggests that chain scission occurs preferentially at the methylphenylsilylene unit. The resulting polysilane (135 Mrad irradiated) has chains of about 20 silicon atoms containing siloxane bonds and hydroxy groups. All of the results indicate that the polysilane degrades by a free radical mechanism. (author)

  1. Solvent extraction columns

    International Nuclear Information System (INIS)

    Middleton, P.; Smith, J.R.

    1979-01-01

    In pulsed columns for use in solvent extraction processes, e.g. the reprocessing of nuclear fuel, the horizontal perforated plates inside the column are separated by interplate spacers manufactured from metallic neutron absorbing material. The spacer may be in the form of a spiral or concentric circles separated by radial limbs, or may be of egg-box construction. Suitable neutron absorbing materials include stainless steel containing boron or gadolinium, hafnium metal or alloys of hafnium. (UK)

  2. Hazardous solvent substitution

    International Nuclear Information System (INIS)

    Twitchell, K.E.

    1995-01-01

    Eliminating hazardous solvents is good for the environment, worker safety, and the bottom line. However, even though we are motivated to find replacements, the big question is 'What can we use as replacements for hazardous solvents?'You, too, can find replacements for your hazardous solvents. All you have to do is search for them. Search through the vendor literature of hundreds of companies with thousands of products. Ponder the associated material safety data sheets, assuming of course that you can obtain them and, having obtained them, that you can read them. You will want to search the trade magazines and other sources for product reviews. You will want to talk to users about how well the product actually works. You may also want to check US Environmental Protection Agency (EPA) and other government reports for toxicity and other safety information. And, of course, you will want to compare the product's constituent chemicals with the many hazardous constituency lists to ensure the safe and legal use of the product in your workplace

  3. Sorption of polar and nonpolar organic contaminants by oil-contaminated soil.

    Science.gov (United States)

    Chen, Hong; Chen, Shuo; Quan, Xie; Zhao, Huimin; Zhang, Yaobin

    2008-12-01

    Sorption of nonpolar (phenanthrene and butylate) and polar (atrazine and diuron) organic chemicals to oil-contaminated soil was examined to investigate oil effects on sorption of organic chemicals and to derive oil-water distribution coefficients (K(oil)). The resulting oil-contaminated soil-water distribution coefficients (K(d)) for phenanthrene demonstrated sorption-enhancing effects at both lower and higher oil concentrations (C(oil)) but sorption-reducing (competitive) effects at intermediate C(oil) (approximately 1 g kg(-1)). Rationalization of the different dominant effects was attempted in terms of the relative aliphatic carbon content which determines the accessibility of the aromatic cores to phenanthrene. Little or no competitive effect occurred for butylate because its sorption was dominated by partitioning. For atrazine and diuron, the changes in K(d) at C(oil) above approximately 1 g kg(-1) were negligible, indicating that the presently investigated oil has little or no effect on the two tested compounds even though the polarity of the oil is much less than soil organic matter (SOM). Therefore, specific interactions with the active groups (aromatic and polar domains) are dominantly responsible for the sorption of polar sorbates, and thus their sorption is controlled by available sorption sites. This study showed that the oil has the potential to be a dominant sorptive phase for nonpolar pollutants when compared to SOM, but hardly so for polar compounds. The results may aid in a better understanding of the role of the aliphatic and aromatic domains in sorption of nonpolar and polar organic pollutants.

  4. In Vitro Anticancer Activity of a Nonpolar Fraction from Gynostemma pentaphyllum (Thunb. Makino

    Directory of Open Access Journals (Sweden)

    Yantao Li

    2016-01-01

    Full Text Available Gynostemma pentaphyllum (Thunb. Makino (GpM has been widely used in traditional Chinese medicine (TCM for the treatment of various diseases including cancer. Most previous studies have focused primarily on polar fractions of GpM for anticancer activities. In this study, a nonpolar fraction EA1.3A from GpM showed potent growth inhibitory activities against four cancer cell lines with IC50 ranging from 31.62 μg/mL to 38.02 μg/mL. Furthermore, EA1.3A also inhibited the growth of breast cancer cell MDA-MB-453 time-dependently, as well as its colony formation ability. EA1.3A induced apoptosis on MDA-MB-453 cells both dose-dependently and time-dependently as analyzed by flow cytometry and verified by western blotting analysis of apoptosis marker cleaved nuclear poly(ADP-ribose polymerase (cPARP. Additionally, EA1.3A induced cell cycle arrest in G0/G1 phase. Chemical components analysis of EA1.3A by GC-MS revealed that this nonpolar fraction from GpM contains 10 compounds including four alkaloids, three organic esters, two terpenes, and one catechol substance, and all these compounds have not been reported in GpM. In summary, the nonpolar fraction EA1.3A from GpM inhibited cancer cell growth through induction of apoptosis and regulation of cell cycle progression. Our study shed light on new chemical bases for the anticancer activities of GpM and feasibilities to develop new anticancer agents from this widely used medicinal plant.

  5. Structural anisotropy of nonpolar and semipolar InN epitaxial layers

    Science.gov (United States)

    Darakchieva, V.; Xie, M.-Y.; Franco, N.; Giuliani, F.; Nunes, B.; Alves, E.; Hsiao, C. L.; Chen, L. C.; Yamaguchi, T.; Takagi, Y.; Kawashima, K.; Nanishi, Y.

    2010-10-01

    We present a detailed study of the structural characteristics of molecular beam epitaxy grown nonpolar InN films with a- and m-plane surface orientations on r-plane sapphire and (100) γ-LiAlO2, respectively, and semipolar (101¯1) InN grown on r-plane sapphire. The on-axis rocking curve (RC) widths were found to exhibit anisotropic dependence on the azimuth angle with minima at InN [0001] for the a-plane films, and maxima at InN [0001] for the m-plane and semipolar films. The different contributions to the RC broadening are analyzed and discussed. The finite size of the crystallites and extended defects are suggested to be the dominant factors determining the RC anisotropy in a-plane InN, while surface roughness and curvature could not play a major role. Furthermore, strategy to reduce the anisotropy and magnitude of the tilt and minimize defect densities in a-plane InN films is suggested. In contrast to the nonpolar films, the semipolar InN was found to contain two domains nucleating on zinc-blende InN(111)A and InN(111)B faces. These two wurtzite domains develop with different growth rates, which was suggested to be a consequence of their different polarity. Both, a- and m-plane InN films have basal stacking fault densities similar or even lower compared to nonpolar InN grown on free-standing GaN substrates, indicating good prospects of heteroepitaxy on foreign substrates for the growth of InN-based devices.

  6. Structural anisotropy of nonpolar and semipolar InN epitaxial layers

    International Nuclear Information System (INIS)

    Darakchieva, V.; Xie, M.-Y.; Franco, N.; Alves, E.; Giuliani, F.; Nunes, B.; Hsiao, C. L.; Chen, L. C.; Yamaguchi, T.; Takagi, Y.; Kawashima, K.; Nanishi, Y.

    2010-01-01

    We present a detailed study of the structural characteristics of molecular beam epitaxy grown nonpolar InN films with a- and m-plane surface orientations on r-plane sapphire and (100) γ-LiAlO 2 , respectively, and semipolar (1011) InN grown on r-plane sapphire. The on-axis rocking curve (RC) widths were found to exhibit anisotropic dependence on the azimuth angle with minima at InN [0001] for the a-plane films, and maxima at InN [0001] for the m-plane and semipolar films. The different contributions to the RC broadening are analyzed and discussed. The finite size of the crystallites and extended defects are suggested to be the dominant factors determining the RC anisotropy in a-plane InN, while surface roughness and curvature could not play a major role. Furthermore, strategy to reduce the anisotropy and magnitude of the tilt and minimize defect densities in a-plane InN films is suggested. In contrast to the nonpolar films, the semipolar InN was found to contain two domains nucleating on zinc-blende InN(111)A and InN(111)B faces. These two wurtzite domains develop with different growth rates, which was suggested to be a consequence of their different polarity. Both, a- and m-plane InN films have basal stacking fault densities similar or even lower compared to nonpolar InN grown on free-standing GaN substrates, indicating good prospects of heteroepitaxy on foreign substrates for the growth of InN-based devices.

  7. Polar-solvent-free colloidal synthesis of highly luminescent alkylammonium lead halide perovskite nanocrystals

    Science.gov (United States)

    Vybornyi, Oleh; Yakunin, Sergii; Kovalenko, Maksym V.

    2016-03-01

    A novel synthesis of hybrid organic-inorganic lead halide perovskite nanocrystals (CH3NH3PbX3, X = Br or I) that does not involve the use of dimethylformamide or other polar solvents is presented. The reaction between methylamine and PbX2 salts is conducted in a high-boiling nonpolar solvent (1-octadecene) in the presence of oleylamine and oleic acid as coordinating ligands. The resulting nanocrystals are characterized by high photoluminescence quantum efficiencies of 15-50%, outstanding phase purity and tunable shapes (nanocubes, nanowires, and nanoplatelets). Nanoplatelets spontaneously assemble into micrometer-length wires by face-to-face stacking. In addition, we demonstrate amplified spontaneous emission from thin films of green-emitting CH3NH3PbBr3 nanowires with low pumping thresholds of 3 μJ cm-2.A novel synthesis of hybrid organic-inorganic lead halide perovskite nanocrystals (CH3NH3PbX3, X = Br or I) that does not involve the use of dimethylformamide or other polar solvents is presented. The reaction between methylamine and PbX2 salts is conducted in a high-boiling nonpolar solvent (1-octadecene) in the presence of oleylamine and oleic acid as coordinating ligands. The resulting nanocrystals are characterized by high photoluminescence quantum efficiencies of 15-50%, outstanding phase purity and tunable shapes (nanocubes, nanowires, and nanoplatelets). Nanoplatelets spontaneously assemble into micrometer-length wires by face-to-face stacking. In addition, we demonstrate amplified spontaneous emission from thin films of green-emitting CH3NH3PbBr3 nanowires with low pumping thresholds of 3 μJ cm-2. Electronic supplementary information (ESI) available: Materials and methods, additional figures. See DOI: 10.1039/c5nr06890h

  8. SOLVENT FIRE BY-PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Walker, D; Samuel Fink, S

    2006-05-22

    Southwest Research Institute (SwRI) conducted a burn test of the Caustic-Side Solvent Extraction (CSSX) solvent to determine the combustion products. The testing showed hydrogen fluoride gas is not a combustion product from a solvent fire when up to 70% of the solvent is consumed. The absence of HF in the combustion gases may reflect concentration of the modifier containing the fluoride groups in the unburned portion. SwRI reported results for other gases (CO, HCN, NOx, formaldehyde, and hydrocarbons). The results, with other supporting information, can be used for evaluating the consequences of a facility fire involving the CSSX solvent inventory.

  9. Salting out the polar polymorph: analysis by alchemical solvent transformation.

    Science.gov (United States)

    Duff, Nathan; Dahal, Yuba Raj; Schmit, Jeremy D; Peters, Baron

    2014-01-07

    We computationally examine how adding NaCl to an aqueous solution with α- and γ-glycine nuclei alters the structure and interfacial energy of the nuclei. The polar γ-glycine nucleus in pure aqueous solution develops a melted layer of amorphous glycine around the nucleus. When NaCl is added, a double layer is formed that stabilizes the polar glycine polymorph and eliminates the surface melted layer. In contrast, the non-polar α-glycine nucleus is largely unaffected by the addition of NaCl. To quantify the stabilizing effect of NaCl on γ-glycine nuclei, we alchemically transform the aqueous glycine solution into a brine solution of glycine. The alchemical transformation is performed both with and without a nucleus in solution and for nuclei of α-glycine and γ-glycine polymorphs. The calculations show that adding 80 mg/ml NaCl reduces the interfacial free energy of a γ-glycine nucleus by 7.7 mJ/m(2) and increases the interfacial free energy of an α-glycine nucleus by 3.1 mJ/m(2). Both results are consistent with experimental reports on nucleation rates which suggest: J(α, brine) transformation approach can predict the results for both polar and non-polar polymorphs. The results suggest a general "salting out" strategy for obtaining polar polymorphs and also a general approach to computationally estimate the effects of solvent additives on interfacial free energies for nucleation.

  10. An organic solvent-, detergent-, and thermo-stable alkaline protease from the mesophilic, organic solvent-tolerant Bacillus licheniformis 3C5.

    Science.gov (United States)

    Rachadech, W; Navacharoen, A; Ruangsit, W; Pongtharangkul, T; Vangnai, A S

    2010-01-01

    Bacillus licheniformis 3C5, isolated as mesophilic bacterium, exhibited tolerance towards a wide range of non-polar and polar organic solvents at 45 degrees C. It produced an extracellular organic solvent-stable protease with an apparent molecular mass of approximately 32 kDa. The inhibitory effect of PMSF and EDTA suggested it is likely to be an alkaline serine protease. The protease was active over abroad range of temperatures (45-70 degrees C) and pH (8-10) range with an optimum activity at pH 10 and 65 degrees C. It was comparatively stable in the presence ofa relatively high concentration (35% (v/v)) of organic solvents and various types of detergents even at a relatively high temperature (45 degrees C). The protease production by B. licheniformis 3C5 was growth-dependent. The optimization of carbon and nitrogen sources for cell growth and protease production revealed that yeast extract was an important medium component to support both cell growth and the protease production. The overall properties of the protease produced by B. licheniformis 3C5 suggested that this thermo-stable, solvent-stable, detergent-stable alkaline protease is a promising potential biocatalyst for industrial and environmental applications.

  11. Solvent-dependent excited-state hydrogen transfer and intersystem crossing in 2-(2′-hydroxyphenyl)-benzothiazole

    KAUST Repository

    Aly, Shawkat Mohammede

    2015-02-12

    The excited-state intramolecular hydrogen transfer (ESIHT) of 2-(2′-hydroxyphenyl) benzothiazole (HBT) has been investigated in a series of nonpolar, polar aprotic, and polar protic solvents. A variety of state-of-the-art experimental methods were employed, including femto- and nanosecond transient absorption and fluorescence upconversion spectroscopy with broadband capabilities. We show that the dynamics and mechanism of ESIHT of the singlet excited HBT are strongly solvent-dependent. In nonpolar solvents, the data demonstrate that HBT molecules adopt a closed form stabilized by O-H⋯N chelated hydrogen bonds with no twisting angle, and the photoinduced H transfer occurs within 120 fs, leading to the formation of a keto tautomer. In polar solvents, owing to dipole-dipole cross talk and hydrogen bonding interactions, the H transfer process is followed by ultrafast nonradiative deactivation channels, including ultrafast internal conversion (IC) and intersystem crossing (ISC). This is likely to be driven by the twisting motion around the C-C bond between the hydroxyphenyl and thiazole moieties, facilitating the IC back to the enol ground state or to the keto triplet state. In addition, our femtosecond time-resolved fluorescence experiments indicate, for the first time, that the lifetime of the enol form in ACN is approximately 280 fs. This observation indicates that the solvent plays a crucial role in breaking the H bond and deactivating the excited state of the HBT. Interestingly, the broadband transient absorption and fluorescence up-conversion data clearly demonstrate that the intermolecular proton transfer from the excited HBT to the DMSO solvent is about 190 fs, forming the HBT anion excited state.

  12. Solvent-dependent excited-state hydrogen transfer and intersystem crossing in 2-(2′-hydroxyphenyl)-benzothiazole

    KAUST Repository

    Aly, Shawkat Mohammede; Usman, Anwar; Alzayer, Maytham; Hamdi, Ghada A.; Alarousu, Erkki; Mohammed, Omar F.

    2015-01-01

    The excited-state intramolecular hydrogen transfer (ESIHT) of 2-(2′-hydroxyphenyl) benzothiazole (HBT) has been investigated in a series of nonpolar, polar aprotic, and polar protic solvents. A variety of state-of-the-art experimental methods were employed, including femto- and nanosecond transient absorption and fluorescence upconversion spectroscopy with broadband capabilities. We show that the dynamics and mechanism of ESIHT of the singlet excited HBT are strongly solvent-dependent. In nonpolar solvents, the data demonstrate that HBT molecules adopt a closed form stabilized by O-H⋯N chelated hydrogen bonds with no twisting angle, and the photoinduced H transfer occurs within 120 fs, leading to the formation of a keto tautomer. In polar solvents, owing to dipole-dipole cross talk and hydrogen bonding interactions, the H transfer process is followed by ultrafast nonradiative deactivation channels, including ultrafast internal conversion (IC) and intersystem crossing (ISC). This is likely to be driven by the twisting motion around the C-C bond between the hydroxyphenyl and thiazole moieties, facilitating the IC back to the enol ground state or to the keto triplet state. In addition, our femtosecond time-resolved fluorescence experiments indicate, for the first time, that the lifetime of the enol form in ACN is approximately 280 fs. This observation indicates that the solvent plays a crucial role in breaking the H bond and deactivating the excited state of the HBT. Interestingly, the broadband transient absorption and fluorescence up-conversion data clearly demonstrate that the intermolecular proton transfer from the excited HBT to the DMSO solvent is about 190 fs, forming the HBT anion excited state.

  13. Is Water a Universal Solvent for Life?

    Science.gov (United States)

    Pohorill, Andrew

    2012-01-01

    There are strong reasons to believe that the laws, principles and constraints of physics and chemistry are universal. It is much less clear how this universality translates into our understanding of the origins of life. Conventionally, discussions of this topic focus on chemistry that must be sufficiently rich to seed life. Although this is clearly a prerequisite for the emergence of living systems, I propose to focus instead on self-organization of matter into functional structures capable of reproduction, evolution and responding to environmental changes. In biology, most essential functions are largely mediated by noncovalent interactions (interactions that do not involve making or breaking chemical bonds). Forming chemical bonds is only a small part of what living systems do. There are specific implications of this point of view for universality. I will concentrate on one of these implications. Strength of non-covalent interactions must be properly tuned. If they were too weak, the system would exhibit undesired, uncontrolled response to natural fluctuations of physical and chemical parameters. If they were too strong kinetics of biological processes would be slow and energetics costly. This balance, however, is not a natural property of complex chemical systems. Instead, it has to be achieved with the aid of an appropriate solvent for life. In particular, potential solvents for life must be characterized by a high dielectric constant to ensure solubility of polar species and sufficient flexibility of biological structures stabilized by electrostatic interactions. Among these solvents, water exhibits a remarkable trait that it also promotes solvophobic (hydrophobic) interactions between non-polar species, typically manifested by a tendency of these species to aggregate and minimize their contacts with the aqueous solvent. Hydrophobic interactions are responsible, at least in part, for many self-organization phenomena in biological systems, such as the formation

  14. Solvent-Dependent Dual Fluorescence of the Push-Pull System 2-Diethylamino-7-Nitrofluorene

    KAUST Repository

    Larsen, Martin A. B.; Stephansen, Anne B.; Alarousu, Erkki; Pittelkow, Michael; Mohammed, Omar F.; Sø lling, Theis I

    2018-01-01

    The solvent-dependent excited state behavior of the molecular push-pull system 2-diethylamino-7-nitrofluorene has been explored using femtosecond transient absorption spectroscopy in combination with density functional theory calculations. Several excited state minima have been identified computationally, all possessing significant intramolecular charge transfer character. The experimentally observed dual fluorescence is suggested to arise from a planar excited state minimum and another minimum reached by twisting of the aryl-nitrogen bond of the amino group. The majority of the excited state population, however, undergo non-radiative transitions and potential excited deactivation pathways are assessed in the computational investigation. A third excited state conformer, characterized by twisting around the aryl-nitrogen bond of the nitro group, is reasoned to be responsible for the majority of the non-radiative decays and a crossing between the excited state and ground state is localized. Additionally, ultrafast intersystem crossing is observed in the apolar solvent cyclohexane and rationalized to occur via an El-Sayed assisted transition from one of the identified excited state minima. The solvent thus determines more than just the fluorescence lifetime and shapes the potential energy landscape, thereby dictating the available excited state pathways.

  15. Solvent-Dependent Dual Fluorescence of the Push-Pull System 2-Diethylamino-7-Nitrofluorene

    KAUST Repository

    Larsen, Martin A. B.

    2018-01-31

    The solvent-dependent excited state behavior of the molecular push-pull system 2-diethylamino-7-nitrofluorene has been explored using femtosecond transient absorption spectroscopy in combination with density functional theory calculations. Several excited state minima have been identified computationally, all possessing significant intramolecular charge transfer character. The experimentally observed dual fluorescence is suggested to arise from a planar excited state minimum and another minimum reached by twisting of the aryl-nitrogen bond of the amino group. The majority of the excited state population, however, undergo non-radiative transitions and potential excited deactivation pathways are assessed in the computational investigation. A third excited state conformer, characterized by twisting around the aryl-nitrogen bond of the nitro group, is reasoned to be responsible for the majority of the non-radiative decays and a crossing between the excited state and ground state is localized. Additionally, ultrafast intersystem crossing is observed in the apolar solvent cyclohexane and rationalized to occur via an El-Sayed assisted transition from one of the identified excited state minima. The solvent thus determines more than just the fluorescence lifetime and shapes the potential energy landscape, thereby dictating the available excited state pathways.

  16. Polarization of eigenmodes in laser diode waveguides on semipolar and nonpolar GaN

    Energy Technology Data Exchange (ETDEWEB)

    Rass, Jens; Vogt, Patrick [Institute of Solid State Physics, Technische Universitaet Berlin (Germany); Wernicke, Tim; Einfeldt, Sven; Weyers, Markus [Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Berlin (Germany); Scheibenzuber, Wolfgang G.; Schwarz, Ulrich T. [Department of Physics, Regensburg University (Germany); Kupec, Jan [Integrated Systems Laboratory, ETH Zurich (Switzerland); Witzigmann, Bernd [Computational Electronics and Photonics Group, University of Kassel (Germany); Kneissl, Michael [Institute of Solid State Physics, Technische Universitaet Berlin (Germany); Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Berlin (Germany)

    2010-02-15

    Recent calculations of the eigenmodes in waveguides grown on semipolar GaN suggest that the optical polarization of the emitted light as well as the optical gain depends on the orientation of the resonator. Our measurements on separate confinement heterostructures on semipolar (11 anti 22) and (10 anti 12) GaN show that for laser resonators along the semipolar [11 anti 2 anti 3 ] and [0 anti 111] directions (i.e. the projection of the c-axis onto the plane of growth) the threshold for amplified spontaneous emission is lower than for the nonpolar direction and that the stimulated emission is linearly polarized as TE mode. For the waveguide structures along the nonpolar [1 anti 100] or [11 anti 20] direction on the other hand, birefringence and anisotropy of the optical gain in the plane of growth leads not only to a higher threshold but also to a rotation of the optical polarization which is not any more TE- or TM-polarized but influenced by the ordinary and extraordinary refractive index of the material. We observe stimulated emission into a mode which is linearly polarized in extraordinarydirection nearly parallel to the c-axis. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Growth on nonpolar and semipolar GaN: The substrate dilemma

    Energy Technology Data Exchange (ETDEWEB)

    Wernicke, T.; Weyers, M. [Ferdinand-Braun-Institute, Berlin (Germany); Kneissl, M. [Ferdinand-Braun-Institute, Berlin (Germany); Institute of Solid State Physics, TU Berlin (Germany)

    2009-07-01

    Growth of nonpolar and semipolar GaN is very promising for achieving green laser diodes (LDs). However, the choice of the substrate is a difficult one: Heteroepitaxial growth on sapphire, SiC, LiAlO{sub 2} yields GaN films with a poor surface quality and high defect densities. On the other hand non- and semipolar bulk GaN substrates provide excellent crystal quality, but are so far only available in very small sizes. In this paper hetero- and homoepitaxial growth is compared. For all heteroepitaxially grown semi- and nonpolar GaN layers threading dislocations (TD) and basal plane stacking faults (BSF) can be found. There are four possible mechanisms for the generation of BSF: Growth of the N-polar basal plane, formation during nucleation at substrate steps, formation at the coalescence front of differently stacked nucleation islands, and generation at planar defects occurring in m-plane GaN on LiAlO{sub 2}. BSF induce surface roughening and are associated with partial dislocations causing nonradiative recombination. Thus they affect the performance of devices. We show that BSFs and TDs can be reduced by epitaxial lateral overgrowth resulting in several micrometer wide defect free areas. However, for LEDs larger defect-free areas are required. GaN layers grown on bulk GaN substrates exhibit a high crystal quality, but show in many cases long-range surface structures with a height of {approx}1{mu}m.

  18. Investigation of blue luminescence in Mg-doped nonpolar a-plane GaN

    International Nuclear Information System (INIS)

    Kim, Hogyoung; Song, Keun Man

    2014-01-01

    The temperature-dependent optical characteristics of blue luminescence (BL) band in Mg-doped nonpolar a-plane GaN films were investigated using photoluminescence (PL) measurements. For the sample with the highest Cp 2 Mg/TMGa ([Mg]/[Ga]) molar ratio, the BL band was shown to have two distinct peaks, one at about 2.95 eV and the other at about 2.75 eV, which were associated with the donor–acceptor pair (DAP) transitions between the one shallow Mg acceptor level and the two different deep donor levels. In contrast, a single broad BL band was observed for all other samples. Strong potential fluctuations caused by high compensation level in the sample with the highest [Mg]/[Ga] molar ratio might localize the carriers related to the 2.75 eV band, leading to the different emission characteristics in BL band as compared to other samples. -- Highlights: • The temperature-dependent optical characteristics of blue luminescence (BL) in Mg-doped nonpolar a-plane GaN were investigated using photoluminescence (PL) measurements. • At the highest [Mg]/[Ga] molar ratio, the BL was observed to have two distinct peaks at low temperatures. • The BL was associated with the one shallow Mg acceptor level and the two different Mg-related deep donor levels. • Strong potential fluctuations caused by high compensation level might localize the carriers

  19. Investigation of blue luminescence in Mg-doped nonpolar a-plane GaN

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hogyoung [Department of Optometry, Seoul National University of Science and Technology, Seoul 139-743 (Korea, Republic of); Song, Keun Man, E-mail: skmmec@gmail.com [Korea Advanced Nano Fab Center, Suwon, Gyeonggi 443-770 (Korea, Republic of)

    2014-01-15

    The temperature-dependent optical characteristics of blue luminescence (BL) band in Mg-doped nonpolar a-plane GaN films were investigated using photoluminescence (PL) measurements. For the sample with the highest Cp{sub 2}Mg/TMGa ([Mg]/[Ga]) molar ratio, the BL band was shown to have two distinct peaks, one at about 2.95 eV and the other at about 2.75 eV, which were associated with the donor–acceptor pair (DAP) transitions between the one shallow Mg acceptor level and the two different deep donor levels. In contrast, a single broad BL band was observed for all other samples. Strong potential fluctuations caused by high compensation level in the sample with the highest [Mg]/[Ga] molar ratio might localize the carriers related to the 2.75 eV band, leading to the different emission characteristics in BL band as compared to other samples. -- Highlights: • The temperature-dependent optical characteristics of blue luminescence (BL) in Mg-doped nonpolar a-plane GaN were investigated using photoluminescence (PL) measurements. • At the highest [Mg]/[Ga] molar ratio, the BL was observed to have two distinct peaks at low temperatures. • The BL was associated with the one shallow Mg acceptor level and the two different Mg-related deep donor levels. • Strong potential fluctuations caused by high compensation level might localize the carriers.

  20. Broadband non-polarizing beam splitter based on guided mode resonance effect

    International Nuclear Information System (INIS)

    Ma Jian-Yong; Xu Cheng; Qiang Ying-Huai; Zhu Ya-Bo

    2011-01-01

    A broadband non-polarizing beam splitter (NPBS) operating in the telecommunication C+L band is designed by using the guided mode resonance effect of periodic silicon-on-insulator (SOI) elements. It is shown that this double layer SOI structure can provide ∼50/50 beam ratio with the maximum divergences between reflection and transmission being less than 8% over the spectrum of 1.4 μm∼1.7 μm and 1% in the telecommunication band for both TE and TM polarizations. The physical basis of this broadband non-polarizing property is on the simultaneous excitation of the TE and TM strong modulation waveguide modes near the designed spectrum band. Meanwhile, the electric field distributions for both TE and TM polarizations verify the resonant origin of spectrum in the periodic SOI structure. Furthermore, it is demonstrated with our calculations that the beam splitter proposed here is tolerant to the deviations of incident angle and structure parameters, which make it very easy to be fabricated with current IC technology. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  1. Detection of electrically neutral and nonpolar molecules in ionic solutions using silicon nanowires

    Science.gov (United States)

    Wu, Ying-Pin; Chu, Chia-Jung; Tsai, Li-Chu; Su, Ya-Wen; Chen, Pei-Hua; Moodley, Mathew K.; Huang, Ding; Chen, Yit-Tsong; Yang, Ying-Jay; Chen, Chii-Dong

    2017-04-01

    We report on a technique that can extend the use of nanowire sensors to the detection of interactions involving nonpolar and neutral molecules in an ionic solution environment. This technique makes use of the fact that molecular interactions result in a change in the permittivity of the molecules involved. For the interactions taking place at the surface of nanowires, this permittivity change can be determined from the analysis of the measured complex impedance of the nanowire. To demonstrate this technique, histidine was detected using different charge polarities controlled by the pH value of the solution. This included the detection of electrically neutral histidine at a sensitivity of 1 pM. Furthermore, it is shown that nonpolar molecules, such as hexane, can also be detected. The technique is applicable to the use of nanowires with and without a surface-insulating oxide. We show that information about the changes in amplitude and the phase of the complex impedance reveals the fundamental characteristics of the molecular interactions, including the molecular field and the permittivity.

  2. Nonpolar III-nitride vertical-cavity surface-emitting lasers incorporating an ion implanted aperture

    KAUST Repository

    Leonard, J. T.; Cohen, D. A.; Yonkee, B. P.; Farrell, R. M.; Margalith, T.; Lee, S.; DenBaars, S. P.; Speck, J. S.; Nakamura, S.

    2015-01-01

    © 2015 AIP Publishing LLC. We report on our recent progress in improving the performance of nonpolar III-nitride vertical-cavity surface-emitting lasers (VCSELs) by using an Al ion implanted aperture and employing a multi-layer electron-beam evaporated ITO intracavity contact. The use of an ion implanted aperture improves the lateral confinement over SiNx apertures by enabling a planar ITO design, while the multi-layer ITO contact minimizes scattering losses due to its epitaxially smooth morphology. The reported VCSEL has 10 QWs, with a 3nm quantum well width, 1nm barriers, a 5nm electron-blocking layer, and a 6.95- λ total cavity thickness. These advances yield a single longitudinal mode 406nm nonpolar VCSEL with a low threshold current density (∼16kA/cm2), a peak output power of ∼12μW, and a 100% polarization ratio. The lasing in the current aperture is observed to be spatially non-uniform, which is likely a result of filamentation caused by non-uniform current spreading, lateral optical confinement, contact resistance, and absorption loss.

  3. Non-Polar Natural Products from Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile (Bromeliaceae

    Directory of Open Access Journals (Sweden)

    Ole Johan Juvik

    2017-09-01

    Full Text Available Extensive regional droughts are already a major problem on all inhabited continents and severe regional droughts are expected to become an increasing and extended problem in the future. Consequently, extended use of available drought resistant food plants should be encouraged. Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile are excellent candidates in that respect because they are established drought resistant edible plants from the semi-arid Caatinga region. From a food safety perspective, increased utilization of these plants would necessitate detailed knowledge about their chemical constituents. However, their chemical compositions have previously not been determined. For the first time, the non-polar constituents of B. laciniosa, N. variegata and E. spectabile have been identified. This is the first thorough report on natural products from N. variegata, E. spectabile, and B. laciniosa. Altogether, 20 non-polar natural products were characterized. The identifications were based on hyphenated gas chromatography-high resolution mass spectrometry (GC-HRMS and supported by 1D and 2D Nuclear Magnetic Resonance (NMR plant metabolomics.

  4. Nonpolar III-nitride vertical-cavity surface-emitting lasers incorporating an ion implanted aperture

    KAUST Repository

    Leonard, J. T.

    2015-07-06

    © 2015 AIP Publishing LLC. We report on our recent progress in improving the performance of nonpolar III-nitride vertical-cavity surface-emitting lasers (VCSELs) by using an Al ion implanted aperture and employing a multi-layer electron-beam evaporated ITO intracavity contact. The use of an ion implanted aperture improves the lateral confinement over SiNx apertures by enabling a planar ITO design, while the multi-layer ITO contact minimizes scattering losses due to its epitaxially smooth morphology. The reported VCSEL has 10 QWs, with a 3nm quantum well width, 1nm barriers, a 5nm electron-blocking layer, and a 6.95- λ total cavity thickness. These advances yield a single longitudinal mode 406nm nonpolar VCSEL with a low threshold current density (∼16kA/cm2), a peak output power of ∼12μW, and a 100% polarization ratio. The lasing in the current aperture is observed to be spatially non-uniform, which is likely a result of filamentation caused by non-uniform current spreading, lateral optical confinement, contact resistance, and absorption loss.

  5. Broadband non-polarizing beam splitter based on guided mode resonance effect

    Science.gov (United States)

    Ma, Jian-Yong; Xu, Cheng; Qiang, Ying-Huai; Zhu, Ya-Bo

    2011-10-01

    A broadband non-polarizing beam splitter (NPBS) operating in the telecommunication C+L band is designed by using the guided mode resonance effect of periodic silicon-on-insulator (SOI) elements. It is shown that this double layer SOI structure can provide ~50/50 beam ratio with the maximum divergences between reflection and transmission being less than 8% over the spectrum of 1.4 μm~1.7 μm and 1% in the telecommunication band for both TE and TM polarizations. The physical basis of this broadband non-polarizing property is on the simultaneous excitation of the TE and TM strong modulation waveguide modes near the designed spectrum band. Meanwhile, the electric field distributions for both TE and TM polarizations verify the resonant origin of spectrum in the periodic SOI structure. Furthermore, it is demonstrated with our calculations that the beam splitter proposed here is tolerant to the deviations of incident angle and structure parameters, which make it very easy to be fabricated with current IC technology.

  6. A polarity-induced defect mechanism for conductivity and magnetism at polar-nonpolar oxide interfaces.

    Science.gov (United States)

    Yu, Liping; Zunger, Alex

    2014-10-13

    The discovery of conductivity and magnetism at the polar-nonpolar interfaces of insulating nonmagnetic oxides such as LaAlO3 and SrTiO3 has raised prospects for attaining interfacial functionalities absent in the component materials. Yet, the microscopic origin of such emergent phenomena remains unclear, posing obstacles to design of improved functionalities. Here we present first principles calculations of electronic and defect properties of LaAlO3/SrTiO3 interfaces and reveal a unifying mechanism for the origins of both conductivity and magnetism. We demonstrate that the polar discontinuity across the interface triggers thermodynamically the spontaneous formation of certain defects that in turn cancel the polar field induced by the polar discontinuity. The ionization of the spontaneously formed surface oxygen vacancy defects leads to interface conductivity, whereas the unionized Ti-on-Al antisite defects lead to interface magnetism. The proposed mechanism suggests practical design principles for inducing and controlling both conductivity and magnetism at general polar-nonpolar interfaces.

  7. Solvent effects in chemistry

    CERN Document Server

    Buncel, Erwin

    2015-01-01

    This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds.  It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as ""green"" chemistry, where ut

  8. Solvent effects in the synergistic solvent extraction of Co2+

    International Nuclear Information System (INIS)

    Kandil, A.T.; Ramadan, A.

    1979-01-01

    The extraction of Co 2+ from a 0.1M ionic strength aqueous phase (Na + , CH 3 COOH) of pH = 5.1 was studied using thenoyltrifluoroacetone, HTTA, in eight different solvents and HTTA + trioctylphosphine oxide, TOPO, in the same solvents. A comparison of the effect of solvent dielectric constant on the equilibrium constant shows a synergism as a result of the increased hydrophobic character imparted to the metal complex due to the formation of the TOPO adduct. (author)

  9. The atomic structure of polar and non-polar InGaN quantum wells and the green gap problem

    Energy Technology Data Exchange (ETDEWEB)

    Humphreys, C.J., E-mail: colin.humphreys@msm.cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Griffiths, J.T., E-mail: jg641@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Tang, F., E-mail: ft274@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Oehler, F., E-mail: fabrice.oehler@lpn.cnrs.fr [CNRS/C2N, Paris Sud University, Route de Nozay, 91460 Marcoussis (France); Findlay, S.D., E-mail: scott.findlay@monash.edu [School of Physics and Astronomy, Monash University, Victoria 3800 (Australia); Zheng, C., E-mail: changlin.zheng@monash.edu [Monash Centre for Electron Microscopy, Monash University, Victoria 3800 (Australia); Etheridge, J., E-mail: joanne.etheridge@mcem.monash.edu [Department of Materials Science and Engineering, Monash University, Victoria 3800 (Australia); Martin, T.L., E-mail: tomas.martin@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Bagot, P.A.J., E-mail: paul.bagot@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Moody, M.P., E-mail: michael.moody@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Sutherland, D., E-mail: danny.sutherland@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Dawson, P., E-mail: philip.dawson@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Schulz, S., E-mail: stefan.schulz@tyndall.ie [Tyndall National Institute, Lee Maltings Complex, Dyke Parade, Cork (Ireland); and others

    2017-05-15

    Highlights: • We have studied the atomic structure of polar and non-polar InGaN quantum wells. • The non-polar (11-20) InGaN quantum wells contain indium-rich clusters, unlike the polar (0001) quantum wells. • The electrons and holes in the quantum wells are localised by different mechanisms. - Abstract: We have used high resolution transmission electron microscopy (HRTEM), aberration-corrected quantitative scanning transmission electron microscopy (Q-STEM), atom probe tomography (APT) and X-ray diffraction (XRD) to study the atomic structure of (0001) polar and (11-20) non-polar InGaN quantum wells (QWs). This paper provides an overview of the results. Polar (0001) InGaN in QWs is a random alloy, with In replacing Ga randomly. The InGaN QWs have atomic height interface steps, resulting in QW width fluctuations. The electrons are localised at the top QW interface by the built-in electric field and the well-width fluctuations, with a localisation energy of typically 20 meV. The holes are localised near the bottom QW interface, by indium fluctuations in the random alloy, with a localisation energy of typically 60 meV. On the other hand, the non-polar (11-20) InGaN QWs contain nanometre-scale indium-rich clusters which we suggest localise the carriers and produce longer wavelength (lower energy) emission than from random alloy non-polar InGaN QWs of the same average composition. The reason for the indium-rich clusters in non-polar (11-20) InGaN QWs is not yet clear, but may be connected to the lower QW growth temperature for the (11-20) InGaN QWs compared to the (0001) polar InGaN QWs.

  10. Solvent extraction of zirconium

    International Nuclear Information System (INIS)

    Kim, S.S.; Yoon, J.H.

    1981-01-01

    The extraction of zirconium(VI) from an aqueous solution of constant ionic strength with versatic acid-10 dissolved in benzen was studied as a function of pH and the concentration of zirconium(VI) and organic acid. The effects of sulphate and chlorine ions on the extraction of the zirconium(VI) were briefly examined. It was revealed that (ZrOR 2 .2RH) is the predominant species of extracted zirconium(VI) in the versatic acid-10. The chemical equation and the apparent equilibrium constants thereof have been determined as follows. (ZrOsup(2+))aq+ 2(R 2 H 2 )sub(org) = (ZrOR 2 .2RH)sub(org)+2(H + )aq Ksub(Zr) = (ZrOR 2 .2RH)sub(org)(H + ) 2 /(ZrOsup(2+))sub(aq)(R 2 H 2 )sup(2)sub(org) = 3.3 x 10 -7 . The synergistic effects of TBP and D2EHPA were also studied. In the mixed solvent with 0.1M TBP, the synergistic effect was observed, while the mixed solvent with D2EHPA showed the antisynergistic effect. (Author)

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-11-15

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

  13. Indium gallium nitride/gallium nitride quantum wells grown on polar and nonpolar gallium nitride substrates

    Science.gov (United States)

    Lai, Kun-Yu

    Nonpolar (m-plane or a-plane) gallium nitride (GaN) is predicted to be a potential substrate material to improve luminous efficiencies of nitride-based quantum wells (QWs). Numerical calculations indicated that the spontaneous emission rate in a single In0.15Ga0.85N/GaN QW could be improved by ˜2.2 times if the polarization-induced internal field was avoided by epitaxial deposition on nonpolar substrates. A challenge for nonpolar GaN is the limited size (less than 10x10 mm2) of substrates, which was addressed by expansion during the regrowth by Hydride Vapor Phase Epitaxy (HVPE). Subsurface damage in GaN substrates were reduced by annealing with NH3 and N2 at 950°C for 60 minutes. It was additionally found that the variation of m-plane QWs' emission properties was significantly increased when the substrate miscut toward a-axis was increased from 0° to 0.1°. InGaN/GaN QWs were grown by Metalorganic Chemical Vapor Deposition (MOCVD) on c-plane and m-plane GaN substrates. The QWs were studied by cathodoluminescence spectroscopy with different incident electron beam probe currents (0.1 nA ˜ 1000 nA). Lower emission intensities and longer peak wavelengths from c-plane QWs were attributed to the Quantum-confined Stark Effect (QCSE). The emission intensity ratios of m-plane QWs to c-plane QWs decreased from 3.04 at 1 nA to 1.53 at 1000 nA. This was identified as the stronger screening effects of QCSE at higher current densities in c-plane QWs. To further investigate these effects in a fabricated structure, biased photoluminescence measurements were performed on m-plane InGaN/GaN QWs. The purpose was to detect the possible internal fields induced by the dot-like structure in the InGaN layer through the response of these internal fields under externally applied fields. No energy shifts of the QWs were observed, which was attributed to strong surface leakage currents.

  14. Lipase mediated synthesis of rutin fatty ester: Study of its process parameters and solvent polarity.

    Science.gov (United States)

    Vaisali, C; Belur, Prasanna D; Regupathi, Iyyaswami

    2017-10-01

    Lipophilization of antioxidants is recognized as an effective strategy to enhance solubility and thus effectiveness in lipid based food. In this study, an effort was made to optimize rutin fatty ester synthesis in two different solvent systems to understand the influence of reaction system hydrophobicity on the optimum conditions using immobilised Candida antartica lipase. Under unoptimized conditions, 52.14% and 13.02% conversion was achieved in acetone and tert-butanol solvent systems, respectively. Among all the process parameters, water activity of the system was found to show highest influence on the conversion in each reaction system. In the presence of molecular sieves, the ester production increased to 62.9% in tert-butanol system, unlike acetone system. Under optimal conditions, conversion increased to 60.74% and 65.73% in acetone and tert-butanol system, respectively. This study shows, maintaining optimal water activity is crucial in reaction systems having polar solvents compared to more non-polar solvents. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Solvent effects on ion-receptor interactions in the presence of an external electric field.

    Science.gov (United States)

    Novák, Martin; Foroutan-Nejad, Cina; Marek, Radek

    2016-11-09

    In this work we investigated the influence of an external electric field on the arrangement of the solvent shells around ions interacting with a carbon-based receptor. Our survey reveals that the mechanism of interaction between a monoatomic ion and a π-type ion receptor varies by the variation in the solvent polarity, the nature of the ion, and the strength of the external field. The characteristics of the ion-surface interaction in nonpolar solvents are similar to those observed in a vacuum. However, in water, we identified two mechanisms. Soft and polarizable ions preferentially interact with the π-receptor. In contrast, two bonded states were found for hard ions. A fully solvated ion, weakly interacting with the receptor at weak field, and a strong π-complex at the strong-field regime were identified. An abrupt variation in the potential energy surface (PES) associated with the rearrangement of the solvation shell on the surface of the receptor induced by an external field was observed both in implicit and explicit solvent environments. The electric field at which the solvation shell breaks is proportional to the hardness of the ion as has been suggested recently based on experimental observations.

  16. 1-Benzyl-3-(2-furylmethyl-1,2,3,4,5,6-hexahydrospiro[benzo[h]quinazoline-5,1′-cyclohexane]-2,4-dione

    Directory of Open Access Journals (Sweden)

    Siranush Gabrielyan

    2008-04-01

    Full Text Available The title compound, C29H28N2O3, displays antidepressant and anticancer activities. The furan ring is disordered over two orientations [site occupancies 0.690 (12/0.310 (12] related by a rotation of 180°. The ring conformations are chair for the cyclohexane ring, boat for the cyclohexadiene ring and twist for the pyrimidine ring. The crystal packing is determined solely by van der Waals interactions.

  17. Antibacterial Properties of 3 H-Spiro[1-benzofuran-2,1’-cyclohexane] Derivatives from Heliotropium filifolium

    Directory of Open Access Journals (Sweden)

    Marcela Wilkens

    2008-10-01

    Full Text Available A re-examination of cuticular components of Heliotropium filifolium allowed the isolation of four new compounds: 3’-hydroxy-2’,2’,6’-trimethyl-3H-spiro[1-benzo-furan-2,1’-cyclohexane]-5-carboxylic acid(2, methyl 3’-acetyloxy-2’,2’,6’-trimethyl-3H-spiro[1-benzofuran-2,1’-cyclohexane]-5-carboxylate (3, methyl 3’-isopentanoyloxy-2’,2’,6’-trimethyl-3H-spiro[1-benzofuran-2,1’-cyclohexane]-5-carboxylate (4 and methyl 3’-benzoyloxy-2’,2’,6’-trimethyl-3H-spiro[1-benzofuran-2,1’-cyclohexane]-5-carboxylate (5.Compounds 2-5 were identified by their spectroscopic analogies with filifolinol (1, and their structures confirmed by chemical correlation with 1. The antimicrobial properties of the compounds were tested against Gram positive and Gram negative bacteria. Some of them proved to be active against Gram positive, but inactive against Gram negative bacteria. In searching for structure-activity relationships from the obtained MIC values, lipophilicity was shown to be an important variable.

  18. Band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterostructures measured by X-ray photoemission spectroscopy.

    Science.gov (United States)

    Sang, Ling; Zhu, Qin Sheng; Yang, Shao Yan; Liu, Gui Peng; Li, Hui Jie; Wei, Hong Yuan; Jiao, Chun Mei; Liu, Shu Man; Wang, Zhan Guo; Zhou, Xiao Wei; Mao, Wei; Hao, Yue; Shen, Bo

    2014-01-01

    The band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterojunctions are measured by X-ray photoemission spectroscopy. A large forward-backward asymmetry is observed in the non-polar GaN/AlN and AlN/GaN heterojunctions. The valence-band offsets in the non-polar A-plane GaN/AlN and AlN/GaN heterojunctions are determined to be 1.33 ± 0.16 and 0.73 ± 0.16 eV, respectively. The large valence-band offset difference of 0.6 eV between the non-polar GaN/AlN and AlN/GaN heterojunctions is considered to be due to piezoelectric strain effect in the non-polar heterojunction overlayers.

  19. Substituent and solvent effects on spectroscopic properties of 2-amino-1,3-dicyano-5,6,7,8-tetrahydronaphthalene derivatives

    International Nuclear Information System (INIS)

    Józefowicz, M.; Bajorek, A.; Pietrzak, M.; Heldt, J.R.; Heldt, J.

    2014-01-01

    In this article, we report the photophysical properties of six, newly synthesized donor-substituted 2-amino-1,3-dicyano-5,6,7,8-tetrahydronaphthalene fluorophores. The steady-state and time-resolved spectroscopic experiments have been used to investigate the substituent and solvent effects on the locally excited (LE) and intramolecular charge transfer (ICT) emission. We demonstrate that the spectroscopic characteristics (fluorescence quantum yields, fluorescence decay times, radiative rate constants, and ground and excited state dipole moments) of the studied D–A dyes, as well as the reorganization energies characterizing the solute–solvent interactions and intramolecular torsion motions greatly depend on different substituents and microenvironment. On the basis of the experimental results and our previous quantum-chemical calculations, it was shown that two emitting charge transfer states: non-relaxed (ICT) NR and relaxed (ICT) R exist in six biphenyl derivatives dissolved in polar solvents (e.g., THF), whereas in non-polar medium (MCH) the existence of two emissive states have been attributed to non-relaxed and relaxed, locally excited state ((LE) NR , (LE) R ). - Highlights: • Spectroscopic properties greatly depend on different substituents and microenvironment. • Investigated dyes form a typically spectrally inhomogeneous system. • Two emitting charge transfer states (ICT) NR and (ICT) R exist in polar solvents. • In non-polar medium locally excited fluorescence is possible from (LE) NR and (LE) R states

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

    International Nuclear Information System (INIS)

    Iloukhani, Hossein; Rezaei-Sameti, Mahdi

    2005-01-01

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

  1. Non-polarized cytokine profile of a long-term non-progressor HIV infected patient.

    Science.gov (United States)

    Pina, Ana Flávia; Matos, Vanessa Terezinha Gubert de; Bonin, Camila Mareti; Dal Fabbro, Márcia Maria Ferrairo Janini; Tozetti, Inês Aparecida

    The HIV-1 initial viral infection may present diverse clinical and laboratory course and lead to rapid, intermediate, or long-term progression. Among the group of non-progressors, the elite controllers are those who control the infection most effectively, in the absence of antiretroviral therapy (ART). In this paper, the TH1, TH2 and TH17 cytokines profiles are described, as well as clinical and laboratory aspects of an HIV-infected patient with undetectable viral load without antiretroviral therapy. Production of IL-6, IL-10, TNF-α, IFN-γ, and IL-17 was detected; in contrast IL-4 was identified. Host-related factors could help explain such a level of infection control, namely the differentiated modulation of the cellular immune response and a non-polarized cytokine response of the TH1 and TH2 profiles. Copyright © 2018 Sociedade Brasileira de Infectologia. Published by Elsevier Editora Ltda. All rights reserved.

  2. Relation between the characteristic molecular volume and hydrophobicity of nonpolar molecules

    Energy Technology Data Exchange (ETDEWEB)

    Sedov, Igor A., E-mail: igor_sedov@inbox.ru; Solomonov, Boris N., E-mail: boris.solomonov@ksu.r

    2010-09-15

    Experimental values of the Gibbs free energies of hydration for a set of nonpolar or very slightly polar compounds are analyzed in order to investigate how does the hydrophobic effect depend on molecular structure and shape. The contribution due to the hydrophobic effect is evaluated using a method we suggested previously. A number of values of the Gibbs free energies of solvation in dimethyl sulfoxide and in hexadecane, which are required for calculation, were determined by gas chromatographic headspace analysis. It is found that the Gibbs hydrophobic effect energy is linearly dependent on characteristic molecular volume for a large variety of solutes with branched and unbranched carbon chains, different functional groups and atomic composition. Molecular structure and shape do not significantly affect the hydrophobicity of chemical species, and molecular volume is a main factor determining it.

  3. Equilibrium structures and flows of polar and nonpolar liquids in different carbon nanotubes

    Science.gov (United States)

    Abramyan, Andrey K.; Bessonov, Nick M.; Mirantsev, Leonid V.; Chevrychkina, Anastasiia A.

    2018-03-01

    Molecular dynamics (MD) simulations of equilibrium structures and flows of polar water and nonpolar methane confined by single-walled carbon nanotubes (SWCNTs) with circular and square cross sections and bounding walls with regular graphene structure and random (amorphous) distribution of carbon atoms have been performed. The results of these simulations show that equilibrium structures of both confined liquids depend strongly on the shape of the cross section of SWCNTs, whereas the structure of their bounding walls has a minor influence on these structures. On contrary, the external pressure driven water and methane flows through above mentioned SWCNTs depend significantly on both the shape of their cross sections and the structure of their bounding walls.

  4. Role of the electronegativity for the interface properties of non-polar heterostructures

    KAUST Repository

    Nazir, Safdar

    2012-04-01

    Density functional theory is used to investigate the interfaces in the non-polar ATiO 3/SrTiO 3 (A=Pb, Ca, Ba) heterostructures. All TiO 2-terminated interfaces show an insulating behavior. By reduction of the O content in the AO, SrO, and TiO 2 layers, metallic interface states develop, due to the occupation of the Ti 3d orbitals. For PbTiO 3/SrTiO 3, the Pb 6p states cross the Fermi energy. O vacancy formation energies depend strictly on the electronegativity and the effective volume of the A ion, while the main characteristics of the interface electronic states are maintained. © Europhysics Letters Association, 2012.

  5. Evaluation of Extraction Protocols for Simultaneous Polar and Non-Polar Yeast Metabolite Analysis Using Multivariate Projection Methods

    Directory of Open Access Journals (Sweden)

    Nicolas P. Tambellini

    2013-07-01

    Full Text Available Metabolomic and lipidomic approaches aim to measure metabolites or lipids in the cell. Metabolite extraction is a key step in obtaining useful and reliable data for successful metabolite studies. Significant efforts have been made to identify the optimal extraction protocol for various platforms and biological systems, for both polar and non-polar metabolites. Here we report an approach utilizing chemoinformatics for systematic comparison of protocols to extract both from a single sample of the model yeast organism Saccharomyces cerevisiae. Three chloroform/methanol/water partitioning based extraction protocols found in literature were evaluated for their effectiveness at reproducibly extracting both polar and non-polar metabolites. Fatty acid methyl esters and methoxyamine/trimethylsilyl derivatized aqueous compounds were analyzed by gas chromatography mass spectrometry to evaluate non-polar or polar metabolite analysis. The comparative breadth and amount of recovered metabolites was evaluated using multivariate projection methods. This approach identified an optimal protocol consisting of 64 identified polar metabolites from 105 ion hits and 12 fatty acids recovered, and will potentially attenuate the error and variation associated with combining metabolite profiles from different samples for untargeted analysis with both polar and non-polar analytes. It also confirmed the value of using multivariate projection methods to compare established extraction protocols.

  6. Technetium-99m labelled N,N-ethyldithiocarbamate, a non-polar complex with slow hepatic clearance

    International Nuclear Information System (INIS)

    Pojer, P.M.; Baldas, J.

    1980-05-01

    A sup(99m)Tc-N,N-diethyldithiocarbamate (DDC) complex was prepared using formamidine sulphinic acid as the reducing agent for pertechnetate sup(99m) Tc. The complex was found to be non-polar. In mice the complex localised in the liver and intestines. Urinary excretion was very low and hepatic clearance relatively slow

  7. Creation of High Mobility Two-Dimensional Electron Gases via Strain Induced Polarization at an Otherwise Nonpolar Complex Oxide Interface

    DEFF Research Database (Denmark)

    Chen, Yunzhong; Trier, Felix; Kasama, Takeshi

    2015-01-01

    The discovery of two-dimensional electron gases (2DEGs) in SrTiO3-based heterostructures provides new opportunities for nanoelectronics. Herein, we create a new type of oxide 2DEG by the epitaxial-strain-induced polarization at an otherwise nonpolar perovskite-type interface of CaZrO3/SrTiO3. Rem...

  8. Revealing the influence of water-cement ratio on the pore size distribution in hydrated cement paste by using cyclohexane

    Science.gov (United States)

    Bede, Andrea; Ardelean, Ioan

    2017-12-01

    Varying the amount of water in a concrete mix will influence its final properties considerably due to the changes in the capillary porosity. That is why a non-destructive technique is necessary for revealing the capillary pore distribution inside hydrated cement based materials and linking the capillary porosity with the macroscopic properties of these materials. In the present work, we demonstrate a simple approach for revealing the differences in capillary pore size distributions introduced by the preparation of cement paste with different water-to-cement ratios. The approach relies on monitoring the nuclear magnetic resonance transverse relaxation distribution of cyclohexane molecules confined inside the cement paste pores. The technique reveals the whole spectrum of pores inside the hydrated cement pastes, allowing a qualitative and quantitative analysis of different pore sizes. The cement pastes with higher water-to-cement ratios show an increase in capillary porosity, while for all the samples the intra-C-S-H and inter-C-S-H pores (also known as gel pores) remain unchanged. The technique can be applied to various porous materials with internal mineral surfaces.

  9. Measurement of Soret coefficients in a ternary mixture of toluene-methanol-cyclohexane in convection-free environment

    Science.gov (United States)

    Mialdun, A.; Ryzhkov, I.; Khlybov, O.; Lyubimova, T.; Shevtsova, V.

    2018-01-01

    We report on the measurement of Soret (ST) coefficients in the ternary system toluene (T)-methanol (M)-cyclohexane (Ch) onboard the International Space Station in the experiment selectable optical diagnostic instrument/DCMIX2 (Diffusion Coefficients Measurement in ternary mIXtures). Nine experiments were conducted in the range of mean temperatures between 298.15 K and 306.15 K in the mixture with composition 0.62 (T)-0.31 (M)-0.07 (Ch) in mass fractions. A linear dependence of the Soret coefficients on temperature was established for the ternary mixture. It has also been found that, over considered range of mean temperatures, the Soret coefficients of toluene are small and positive, while the Soret coefficients for methanol are negative and, at least, two times larger. The present work also presents a comprehensive study of possible methodologies to process raw data from the Soret experiment in ternary mixtures. All the experiments were processed by seven different schemes and two of them were identified as the most reliable. We also investigate the error propagation and explain the reasons for the discrepancy of the results obtained by different schemes.

  10. Infrared optical constants, dielectric constants, molar polarizabilities, transition moments, dipole moment derivatives and Raman spectrum of liquid cyclohexane

    Science.gov (United States)

    Keefe, C. Dale; Pickup, Janet E.

    2009-06-01

    Previous studies have been done in this laboratory focusing on the optical properties of several liquid aromatic and aliphatic hydrocarbons in the infrared. The current study reports the infrared and absorption Raman spectra of liquid cyclohexane. Infrared spectra were recorded at 25 °C over a wavenumber range of 7400-490 cm -1. Infrared measurements were taken using transmission cells with pathlengths ranging from 3 to 5000 μm. Raman spectra were recorded between 3700 and 100 cm -1 at 25 °C using a 180° reflection geometry. Ab initio calculations of the vibrational wavenumbers at the B3LYP/6311G level of theory were performed and used to help assign the observed IR and Raman spectra. Extensive assignments of the fundamentals and binary combinations observed in the infrared imaginary molar polarizability spectrum are reported. The imaginary molar polarizability spectrum was curve fitted to separate the intensity from the various transitions and used to determine the transition moments and magnitudes of the derivatives of the dipole moment with respect to the normal coordinates for the fundamentals.

  11. Study of the binary mixtures of {monoglyme + (hexane, cyclohexane, octane, dodecane)} by ECM-average and PFP models

    International Nuclear Information System (INIS)

    Rivas, M.A.; Buep, A.H.; Iglesias, T.P.

    2015-01-01

    Highlights: • Polarization of the real mixture is less than that of the ideal mixture. • Molar excess volume does not exert the dominant effect on the polarization of the mixture. • Similar influence of molecular interactions on the behaviour of excess permittivity. • Excess molar volume is more influenced by the interactions than excess permittivity. - Abstract: Excess molar volumes and excess permittivity of binary mixtures involving monoglyme and alkanes, such as n-hexane, cyclohexane, n-octane and n-dodecane, were calculated from density and relative permittivity measurements for the entire composition range at several temperatures (288.15, 298.15 and 308.15) K and atmospheric pressure. The excess permittivity was calculated on the basis of a recent definition considering the ideal volume fraction. Empirical equations for describing the experimental data in terms of temperature and concentration are given. The experimental values of permittivity have been compared with those estimated by well-known models from literature. The results have indicated that better predictions are obtained when the volume change on mixing is incorporated in these calculations. The contribution of interactions to the excess permittivity was analysed by means of the ECM-average model. The Prigogine–Flory–Patterson (PFP) theory of the thermodynamics of solutions was used to shed light on the contribution of interactions to the excess molar volume. The work concludes with an interpretation of the information given by the theoretical models and the behaviour of both excess magnitudes

  12. Extraction of the mixture 99mTcO4- tributilfosfato- 30% 16% trioctylamine in cyclohexane evaluation of radiotracer obtained

    International Nuclear Information System (INIS)

    Ortega Pijeira, Martha Sahyli; Dominguez Catasus, Judith; Martinez Baez, Ernesto; Borroto Portela, Jorge

    2014-01-01

    Tracer technology plays an important role in industry development and has been widely used to optimize process, solve problems and improve product quality. In the last years Cuban scientific have studied the 99m TcO 4 - , eluted from 99 Mo/ 99m Tc generator, extraction with the mixture 30 % tributylphosphate -16 % trioctylamine in cyclohexane, in order to get an organic radiotracer. In this paper, the influence on 99m TcO 4 - extraction of stirring speed, contact time and NaCl concentration were studied. The extractant's role was also studied and, the tracer's homogeneity in diesel, special gasoline and Venezuelan oils was evaluated to normal pressure and temperature. The obtained outcomes showed that the NaCl concentration only influences on the extraction process when it is less than 0.17 %. Furthermore, the employed mixture's synergism was noticed and, could be conclude that, the obtained tracer is a physical radiotracer for the used industrial supports to 95 % trustworthy

  13. Broadband-Emitting 2 D Hybrid Organic-Inorganic Perovskite Based on Cyclohexane-bis(methylamonium) Cation.

    Science.gov (United States)

    Neogi, Ishita; Bruno, Annalisa; Bahulayan, Damodaran; Goh, Teck Wee; Ghosh, Biplab; Ganguly, Rakesh; Cortecchia, Daniele; Sum, Tze Chien; Soci, Cesare; Mathews, Nripan; Mhaisalkar, Subodh Gautam

    2017-10-09

    A new broadband-emitting 2 D hybrid organic-inorganic perovskite (CyBMA)PbBr 4 based on highly flexible cis-1,3-bis(methylaminohydrobromide)cyclohexane (CyBMABr) core has been designed, synthesized, and investigated, highlighting the effects of stereoisomerism of the templating cation on the formation and properties of the resulting perovskite. The new 2 D material has high exciton binding energy of 340 meV and a broad emission spanning from 380 to 750 nm, incorporating a prominent excitonic band and a less intense broad peak at room temperature. Significant changes in the photoluminescence (PL) spectrum were observed at lower temperatures, showing remarkable enhancement in the intensity of the broadband at the cost of excitonic emission. Temperature-dependent PL mapping indicates the effective role of only a narrow band of excitonic absorption in the generation of the active channel for emission. Based on the evidences obtained from the photophysical investigations, we attributed the evolution of the broad B-band of (CyBMA)PbBr 4 to excitonic self-trapped states. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Detailed investigation of optoelectronic and microstructural properties of plasma polymerized cyclohexane thin films: Dependence on the radiofrequency power

    International Nuclear Information System (INIS)

    Manaa, C.; Bouaziz, L.; Lejeune, M.; Zellama, K.; Benlahsen, M.; Kouki, F.; Mejatty, M.; Bouchriha, H.

    2015-01-01

    Optical properties of polymerized cyclohexane films deposited by radiofrequency plasma enhanced chemical vapor deposition technique at different radiofrequency powers onto glass and silicon substrates, are studied and correlated with the microstructure of the films, using a combination of atomic force microscopy, Raman and Fourier Transformer Infrared spectroscopy and optical measurements. The optical constants such as refractive index n, dielectric permittivity ε and extinction k and absorption α coefficients, are extracted from transmission and reflection spectra through the commercial software CODE. These constants lead, by using common theoretical models as Cauchy, Lorentz, Tauc and single effective oscillator, to the determination of the static refractive index n s and permittivity ε s , the plasma frequency ω p , the carrier density to effective mass ratio N/m e * , the optical conductivity σ oc , the optical band gap E g and the oscillation and dispersion energies E 0 and E d , respectively. We find that n, ε s , ω p , N/m e * , E d , increase with radiofrequency power, while E g and E 0 decrease in the same range of power. These results are well correlated with those obtained from atomic force microscopy, Raman and infrared measurements. They also indicate that the increase of the radiofrequency power promotes the fragmentation of the precursor and increases the carbon C-sp 2 hybridization proportion, which results in an improvement of the optoelectronic properties of the films

  15. Optimization of hydrogen production via coupling of the Fischer-Tropsch synthesis reaction and dehydrogenation of cyclohexane in GTL technology

    International Nuclear Information System (INIS)

    Rahimpour, M.R.; Bahmanpour, A.M.

    2011-01-01

    In this study, a thermally-coupled reactor containing the Fischer-Tropsch synthesis reaction in the exothermic side and dehydrogenation of cyclohexane in the endothermic side has been modified using a hydrogen perm-selective membrane as the shell of the reactor to separate the produced hydrogen from the dehydrogenation process. Permeated hydrogen enters another section called permeation side to be collected by Argon, known as the sweep gas. This three-sided reactor has been optimized using differential evolution (DE) method to predict the conditions at which the reactants' conversion and also the hydrogen recovery yield would be maximized. Minimizing the CO 2 and CH 4 yield in the reactor's outlet as undesired products is also considered in the optimization process. To reach this goal, optimal initial molar flow rate and inlet temperature of three sides as well as pressure of the exothermic side have been calculated. The obtained results have been compared with the conventional reactor data of the Research Institute of Petroleum Industry (RIPI), the membrane dual - type reactor suggested for Fischer-Tropsch synthesis, and the membrane coupled reactor presented for methanol synthesis. The comparison shows acceptable enhancement in the reactor's performance and that the production of hydrogen as a valuable byproduct should also be considered.

  16. Transfer of the high-GC cyclohexane carboxylate degradation pathway from Rhodopseudomonas palustris to Escherichia coli for production of biotin.

    Science.gov (United States)

    Bernstein, Jeffrey R; Bulter, Thomas; Liao, James C

    2008-01-01

    This work demonstrates the transfer of the five-gene cyclohexane carboxylate (CHC) degradation pathway from the high-GC alphaproteobacterium Rhodopseudomonas palustris to Escherichia coli, a gammaproteobacterium. The degradation product of this pathway is pimeloyl-CoA, a key metabolite in E. coli's biotin biosynthetic pathway. This pathway is useful for biotin overproduction in E. coli; however, the expression of GC-rich genes is troublesome in this host. When the native R. palustris CHC degradation pathway is transferred to a DeltabioH pimeloyl-CoA auxotroph of E. coli, it is unable to complement growth in the presence of CHC. To overcome this expression problem we redesigned the operon with decreased GC content and removed stretches of high-GC intergenic DNA which comprise the 5' untranslated region of each gene, replacing these features with shorter low-GC sequences. We show this synthetic construct enables growth of the DeltabioH strain in the presence of CHC. When the synthetic degradation pathway is overexpressed in conjunction with the downstream genes for biotin biosynthesis, we measured significant accumulation of biotin in the growth medium, showing that the pathway transfer is successfully integrated with the host metabolism.

  17. Selective solvent extraction of oils

    Energy Technology Data Exchange (ETDEWEB)

    1938-04-09

    In the selective solvent extraction of naphthenic base oils, the solvent used consists of the extract obtained by treating a paraffinic base oil with a selective solvent. The extract, or partially spent solvent is less selective than the solvent itself. Selective solvents specified for the extraction of the paraffinic base oil are phenol, sulphur dioxide, cresylic acid, nitrobenzene, B:B/sup 1/-dichlorethyl ether, furfural, nitroaniline and benzaldehyde. Oils treated are Coastal lubricating oils, or naphthenic oils from the cracking, or destructive hydrogenation of coal, tar, lignite, peat, shale, bitumen, or petroleum. The extraction may be effected by a batch or counter-current method, and in the presence of (1) liquefied propane, or butane, or naphtha, or (2) agents which modify the solvent power such as, water, ammonia, acetonitrile, glycerine, glycol, caustic soda or potash. Treatment (2) may form a post-treatment effected on the extract phase. In counter-current treatment in a tower some pure selective solvent may be introduced near the raffinate outlet to wash out any extract therefrom.

  18. Selection and design of solvents

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    and design of solvents will be presented together with application examples. The selection problem is defined as finding known chemicals that match the desired functions of a solvent for a specified set of applications. The design problem is defined as finding the molecular structure (or mixture of molecules....... With increasing interest on issues such as waste, sustainability, environmental impact and green chemistry, the selection and design of solvents have become important problems that need to be addressed during chemical product-process design and development. Systematic methods and tools suitable for selection......) that match the desired functions of a solvent for a specified set of applications. Use of organic chemicals and ionic liquids as solvents will be covered....

  19. Nuclear magnetic resonance study of charge transfer complex formation between Silver Nitrate and Benzylcyanide in Solvent Ethylene Glycol

    CERN Document Server

    Modarress, H

    2003-01-01

    The formation constant for charge transfer complexes between electron acceptor (AgNo sub 3) and electron donor benzylcyanide (C sub 6 H sub 5 -CH sub 2 -C ident to N) in solvent ethyleneglycol [(CH sub 2 OH) sub 2] has been evaluated by using the nuclear magnetic resonance chemical shifts of aromatic group of benzylcyanide measured against external references, tetramethylsilane, hexamethyldisilane and cyclohexane at 20 sup d ig sup C. The external referencing procedure eliminated the interference of internal reference in the course of complexation. The necessary bulk magnetic susceptibility corrections on the measured chemical shifts have been made. The solution nationalised and their effects on the formation constant have been considered and a new equation has been suggested to obtain the main ionic activity coefficient of AgNO sub 3 from nuclear magnetic resonance results. The mean ionic activity coefficient has been taken into account in the formation constant calculations. The results indicated that the a...

  20. Spectroscopic Behavior of Some A3B Type Tetrapyrrolic Complexes in Several Organic Solvents and Micellar Media

    Directory of Open Access Journals (Sweden)

    Radu Socoteanu

    2011-08-01

    Full Text Available The paper presents spectral studies of some unsymmetrical A3B tetrapyrrolic, porphyrin-type complexes with Cu(II and Zn(II in different solvents and micellar media aimed at estimating their properties in connection with the living cell. The results indicate that the position of the absorption and emission peaks is mostly influenced by the central metal ion and less by the environmental polarity or the peripheric substituents of the porphyrinic core. The comparison between the overall absorption and emission spectra of the compounds in methanol or cyclohexane vs. direct and reverse Triton X micellar systems, respectively, suggests for all compounds the localization at the interface between the polyethylene oxide chains and the tert-octyl-phenyl etheric residue of the Triton X-100 molecules. These findings could be important when testing the compounds embedded in liposomes or other delivery systems to the targeted cell.

  1. Solvent extraction of Zn and metals in Zn ores by nonphosphorous solvents

    International Nuclear Information System (INIS)

    Auchapt, J.M.; Tostain, Jacqueline.

    1975-07-01

    This bibliography follows a first work on Zn solvent extraction by organo-phosphorous compounds. The other solvents used in Zn extraction, are studied: oxygenated nonphosphorous solvents (ketones, alcohols, carboxylic acids, sulfonates), nitrogenous solvents and hydrocarbons [fr

  2. Cesium Concentration in MCU Solvent

    International Nuclear Information System (INIS)

    Walker, D

    2006-01-01

    During Modular Caustic-Side Solvent Extraction (CSSX) Unit (MCU) operations, Cs-137 concentrations in product streams will vary depending on the location in the process and on the recent process conditions. Calculations of cesium concentrations under a variety of operating conditions reveal the following: (1) Under nominal operations with salt solution feed containing 1.1 Ci Cs-137 per gallon, the maximum Cs-137 concentration in the process will occur in the strip effluent (SE) and equal 15-16.5 Ci/gal. (2) Under these conditions, the majority of the solvent will contain 0.005 to 0.01 Ci/gal, with a limited portion of the solvent in the contactor stages containing ∼4 Ci/gal. (3) When operating conditions yield product near 0.1 Ci Cs-137/gal in the decontaminated salt solution (DSS), the SE cesium concentration will be the same or lower than in nominal operations, but majority of the stripped solvent will increase to ∼2-3 Ci/gal. (4) Deviations in strip and waste stream flow rates cause the largest variations in cesium content: (a) If strip flow rates deviate by -30% of nominal, the SE will contain ∼23 Ci/gal, although the cesium content of the solvent will increase to only 0.03 Ci/gal; (b) If strip flow rate deviates by -77% (i.e., 23% of nominal), the SE will contain 54 Ci/gal and solvent will contain 1.65 Ci/gal. At this point, the product DSS will just reach the limit of 0.1 Ci/gal, causing the DSS gamma monitors to alarm; and (c) Moderate (+10 to +30%) deviations in waste flow rate cause approximately proportional increases in the SE and solvent cesium concentrations. Recovery from a process failure due to poor cesium stripping can achieve any low cesium concentration required. Passing the solvent back through the contactors while recycling DSS product will produce a ∼70% reduction during one pass through the contactors (assuming the stripping D value is no worse than 0.36). If the solvent is returned to the solvent hold tank (containing additional

  3. Solvent tailoring in coal liquefaction. Quarterly report, August 1982-November 1982

    Energy Technology Data Exchange (ETDEWEB)

    Tarrer, A.R.; Guin, J.A.; Curtis, C.W.; Williams, D.C.

    1982-01-01

    A gradientless, high-pressure, continuous reaction system equipped with a carberry-type catalyst basket, was designed and built for hydrotreating liquid feedstocks. A model reaction system (naphthalene dissolved in a carrier vehicle) was used to verify the key results of the simulation study. Investigation of the sensitivity of hydrotreater performance to variations in the volatility of the feedstream were continued. Hydrogenation activity was found to be highly sensitive to differences in the volatility of feedstreams. As part of the sensitivity analyses with respect to feedstream volatility, the reactor was simulated to study the highly interactive effects of hydrogen flowrate, feed concentration, temperature, and pressure. With the use of heavy carrier solvents (e.g. hexadecane or white oil) naphthalene conversion was insensitive to increases in hydrogen flowrate (above the theoretical minimum) or increases in hydrogen flowrate (above the theoretical minimum) or increases in feed concentration. However, with the use of a light carrier solvent (e.g. toluene or cyclohexane) naphthalene conversion was sensitive to both increases in hydrogen flowrate and increases in feedstream concentration. The sensitivity of conversion to reactor pressure was found to be greater for the heavier feed system. It is thus worth noting that the failure to account for liquid vaporization effects could lead to false activation energies and frequency factors. A possible disadvantage to concentrating the reactants and increasing their residence time, with the use of a highly volatile vehicle medium, could be accelerated catalyst deactivation.

  4. Toward an equilibrium structure in lamellar diblock copolymer thin films using solvent vapor annealing

    DEFF Research Database (Denmark)

    Sepe, Alessandro; Zhang, Jianqi; Perlich, Jan

    2016-01-01

    Solvent vapor annealing (SVA) is frequently used to improve the ordering in diblock copolymer thin films. An important question is which SVA protocol should be chosen to ensure thermodynamic equilibrium. Here, we investigate two thin films from a low molar-mass, lamellae-forming polystyrene....... SVA cycles were carried out with cyclohexane, and the structural changes were followed in-situ using time-resolved grazing-incidence small-angle X-ray scattering (GISAXS). Before and after SVA, Dlam,par is significantly lower than in the bulk, i.e. the equi-librium value of Dlam,par in thin film...... glassy again, affinely. During the second SVA cycle on the thin film, the scaling behavior of the lamellar thickness is identical to the one during the first drying and to the drying behavior of the thicker film. We conclude that one cycle of solvent vapor treatment with a degree of swelling of ca. 1...

  5. Processing of polymers using reactive solvents

    NARCIS (Netherlands)

    Lemstra, P.J.; Kurja, J.; Meijer, H.E.H.; Meijer, H.E.H.

    1997-01-01

    A review with many refs. on processing of polymers using reactive solvents including classification of synthetic polymers, guidelines for the selection of reactive solvents, basic aspects of processing, examples of intractable and tractable polymer/reactive solvent system

  6. 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.

  7. Synthesis of sol–gel silica particles in reverse micelles with mixed-solvent polar cores: tailoring nanoreactor structure and properties

    Energy Technology Data Exchange (ETDEWEB)

    Bürglová, Kristýna; Hlaváč, Jan [Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry (Czech Republic); Bartlett, John R., E-mail: jbartlett@usc.edu.au [University of the Sunshine Coast, Faculty of Science, Health, Education and Engineering (Australia)

    2015-07-15

    In this paper, we describe a new approach for producing metal oxide nano- and microparticles via sol–gel processing in confined media (sodium bis(2-ethylhexyl)sulfosuccinate reverse micelles), in which the chemical and physical properties of the polar aqueous core of the reverse micelles are modulated by the inclusion of a second polar co-solvent. The co-solvents were selected for their capacity to solubilise compounds with low water solubility and included dimethylsulfoxide, dimethylformamide, ethylene glycol, n-propanol, dimethylacetamide and N-methylpyrrolidone. A broad range of processing conditions across the sodium bis(2-ethylhexyl)sulfosuccinate/cyclohexane/water phase diagram were identified that are suitable for preparing particles with dimensions <50 to >500 nm. In contrast, only a relatively narrow range of processing conditions were suitable for preparing such particles in the absence of the co-solvents, highlighting the role of the co-solvent in modulating the properties of the polar core of the reverse micelles. A mechanism is proposed that links the interactions between the various reactive sites on the polar head group of the surfactant and the co-solvent to the nucleation and growth of the particles.

  8. 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.

  9. Handbook of organic solvent properties

    CERN Document Server

    Smallwood, Ian

    2012-01-01

    The properties of 72 of the most commonly used solvents are given, tabulated in the most convenient way, making this book a joy for industrial chemists to use as a desk reference. The properties covered are those which answer the basic questions of: Will it do the job? Will it harm the user? Will it pollute the air? Is it easy to handle? Will it pollute the water? Can it be recovered or incinerated? These are all factors that need to be considered at the early stages of choosing a solvent for a new product or process.A collection of the physical properties of most commonly used solvents, their

  10. Acetone-based cellulose solvent.

    Science.gov (United States)

    Kostag, Marc; Liebert, Tim; Heinze, Thomas

    2014-08-01

    Acetone containing tetraalkylammonium chloride is found to be an efficient solvent for cellulose. The addition of an amount of 10 mol% (based on acetone) of well-soluble salt triethyloctylammonium chloride (Et3 OctN Cl) adjusts the solvent's properties (increases the polarity) to promote cellulose dissolution. Cellulose solutions in acetone/Et3 OctN Cl have the lowest viscosity reported for comparable aprotic solutions making it a promising system for shaping processes and homogeneous chemical modification of the biopolymer. Recovery of the polymer and recycling of the solvent components can be easily achieved. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Effect of alkyl chain length on the rotational diffusion of nonpolar and ionic solutes in 1-alkyl-3-methylimidazolium-bis(trifluoromethylsulfonyl)imides.

    Science.gov (United States)

    Gangamallaiah, V; Dutt, G B

    2013-10-10

    Rotational diffusion of a nonpolar solute 9-phenylanthracene (9-PA) and a cationic solute rhodamine 110 (R110) has been examined in a series of 1-alkyl-3-methylimidazolium (alkyl = octyl, decyl, dodecyl, tetradecyl, hexadecyl, and octadecyl) bis(trifluoromethylsulfonyl)imides to understand the influence of alkyl chain length on solute rotation. In this study, reorientation times (τr) have been measured as a function of viscosity (η) by varying the temperature (T) of the solvents. These results have been analyzed using the Stokes-Einstein-Debye (SED) hydrodynamic theory along with the ones obtained for the same solutes in 1-alkyl-3-methylimidazolium (alkyl = methyl, ethyl, propyl, butyl, and hexyl) bis(trifluoromethylsulfonyl)imides (Gangamallaiah and Dutt, J. Phys. Chem. B 2012, 116, 12819-12825). It has been noticed that the data for 9-PA and R110 follows the relation τr = A(η/T)(n) with A being the ratio of hydrodynamic volume of the solute to the Boltzmann constant and n = 1 as envisaged by the SED theory. However, upon increasing the alkyl chain length from methyl to octadecyl significant deviations from the SED theory have been observed especially from the octyl derivative onward. From methyl to octadecyl derivatives, the value of A decreases by a factor of 3 for both the solutes and n by a factor of 1.4 and 1.6 for 9-PA and R110, respectively. These observations have been rationalized by taking into consideration the organized structure of the ionic liquids, whose influence appears to be pronounced when the number of carbon atoms in the alkyl chain attached to the imidazolium cation exceeds eight.

  12. a First-Principles Model of Fermi Resonance in the Alkyl CH Stretch Region: Application to Hydronaphthalenes, Indanes, and Cyclohexane

    Science.gov (United States)

    Sibert, Edwin; Kidwell, Nathanael; Zwier, Timothy S.

    2014-06-01

    The infrared (IR) spectroscopy of the alkyl CH stretch region (2750-3000 cm-1) of a series of bicyclic hydrocarbons and free radicals has been studied under supersonic expansion cooling in the gas phase, and compared with a theoretical model that describes the local mode stretch-bend Fermi resonance interactions. The double resonance method of fluorescence-dip infrared (FDIR) spectroscopy was used on the stable molecules 1,2-dihydronaphthalene, 1,4-dihydronaphthalene, tetralin, indene, and indane using the S_0-S_1 origin transition as a monitor of transitions. Resonant ion-dip infrared (RIDIR) spectra were recorded for the trihydronaphthyl (THN) and inden-2-yl methyl (I2M) radicals. The previously developed model Hamiltonian [J. Chem. Phys. 138 064308 (2013)] incorporates cubic stretch-bend coupling with parameters obtained from density functional theory methods. Full dimensional calculations are compared to reduced dimensional Hamiltonian results in which anharmonic CH streches and CH_2 scissor modes are Fermi coupled. Excellent agreement between theoretical results is found. Scale factors of select terms in the reduced dimensional Hamiltonian, obtained by fitting the theoretical Hamiltonian predictions to the experimental spectra, are found to be similar to previous work. The resulting Hamiltonian predicts successfully all the major spectral features considered in this study. A simplified model is introduced in which the CH_2 groups are decoupled. This model enables the assignment of many of the spectral features. The model results are extended to describe the CH stretch spectrum of the chair and twist-boat conformers of cyclohexane. The chair conformer is used to illustrate the shortcomings of the CH_2 coupling model.

  13. Temperature-dependent magnetic field effect study on exciplex luminescence: probing the triton X-100 reverse micelle in cyclohexane.

    Science.gov (United States)

    Das, Doyel; Nath, Deb Narayan

    2007-09-20

    The microenvironment within the reverse micelle of the nonionic surfactant Triton X-100 (TX-100) in cyclohexane has been investigated by studying the magnetic field effect (MFE) on pyrene-dimethylaniline exciplex luminescence. The nature of exciplex fluorescence and its behavior in the presence of a magnetic field have been found to vary significantly with the water content of the medium. Results are discussed in light of multiple exciplex formation within the micelle which is further supported by the fluorescence lifetime measurements. Those exciplexes emitting at longer wavelength are found to be magnetic field sensitive while those emitting toward the blue region of the spectrum are insensitive toward magnetic field. Since the exciplex's emission characteristics and magnetic field sensitivity depend on its immediate surrounding, it has been concluded that the environment within the micelle is nonuniform. With an increase in hydration level, different zones of varying polarity are created within the reverse micelle. It has been pointed out that the magnetic field sensitive components reside inside the polar core of the micelle while those located near the hydrocarbon tail are field insensitive. However it has been presumed that an interconversion between the different types of exciplexes is possible. The environment within the reverse micelle is found to be largely affected by the change in temperature, and this is reflected in the exciplex emission property and the extent of magnetic field effect. Interestingly, the variation of MFE with temperature follows different trends in the dry and the wet reverse micelle. A comparison has been drawn with the reverse micelle of the ionic surfactant to get an insight into the difference between the various types of micellar environment.

  14. Distribution of radioisotopes between some solvents and filter papers, 1- principle of the method and a study on Sb(V) isotopes. Vol. 3

    International Nuclear Information System (INIS)

    Zakareia, N.; Nofal, M.; El-Sweify, F.; Alian, A.

    1996-01-01

    A procedure was described for the separation of thorium-234 (UX1) from uranyl nitrate by dissolving the latter in diethyl ether and placing the solution in a beaker containing filter paper at its bottom. UX1 was almost completely absorbed on the filter paper and could be eluted therefrom by a dilute acid solution. This idea was generalized to involve other isotopes and solvents. In the present work, a study is conducted on the distribution of the radioisotopes of antimony ( 122 Sb and 1 24 Sb) in the trivalent and pentavalent states between nonpolar solvents (benzene, toluene, xylene, chloroform or carbon tetrachloride), and filter papers. Antimony in each oxidation state was first extracted as antimony chloride (Sb Cl 3 or Sb Cl 5 ) from a strong sulphuric acid solution by any of the above mentioned solvents. Two equal aliquots (20 M1) of each loaded solvent were then placed in two similar beakers, one of them having at its bottom a filter paper of the same inner diameter of the beaker. Adsorption of antimony was followed by measuring 1 m1 portions of the two solvent solutions at various intervals of time. It has been found from the activity of the solvent solution-time that appreciable adsorption on the filter paper takes place within few hours. The adsorption rate varies with the solvent. The results are discussed in the light of known theories of adsorption; and also the possibility of separation of the two oxidation states of antimony. 6 figs

  15. Heme and non-heme iron transporters in non-polarized and polarized cells

    Directory of Open Access Journals (Sweden)

    Yasui Yumiko

    2010-06-01

    Full Text Available Abstract Background Heme and non-heme iron from diet, and recycled iron from hemoglobin are important products of the synthesis of iron-containing molecules. In excess, iron is potentially toxic because it can produce reactive oxygen species through the Fenton reaction. Humans can absorb, transport, store, and recycle iron without an excretory system to remove excess iron. Two candidate heme transporters and two iron transporters have been reported thus far. Heme incorporated into cells is degraded by heme oxygenases (HOs, and the iron product is reutilized by the body. To specify the processes of heme uptake and degradation, and the reutilization of iron, we determined the subcellular localizations of these transporters and HOs. Results In this study, we analyzed the subcellular localizations of 2 isoenzymes of HOs, 4 isoforms of divalent metal transporter 1 (DMT1, and 2 candidate heme transporters--heme carrier protein 1 (HCP1 and heme responsive gene-1 (HRG-1--in non-polarized and polarized cells. In non-polarized cells, HCP1, HRG-1, and DMT1A-I are located in the plasma membrane. In polarized cells, they show distinct localizations: HCP1 and DMT1A-I are located in the apical membrane, whereas HRG-1 is located in the basolateral membrane and lysosome. 16Leu at DMT1A-I N-terminal cytosolic domain was found to be crucial for plasma membrane localization. HOs are located in smooth endoplasmic reticulum and colocalize with NADPH-cytochrome P450 reductase. Conclusions HCP1 and DMT1A-I are localized to the apical membrane, and HRG-1 to the basolateral membrane and lysosome. These findings suggest that HCP1 and DMT1A-I have functions in the uptake of dietary heme and non-heme iron. HRG-1 can transport endocytosed heme from the lysosome into the cytosol. These localization studies support a model in which cytosolic heme can be degraded by HOs, and the resulting iron is exported into tissue fluids via the iron transporter ferroportin 1, which is

  16. Selective hydrogen atom abstraction by hydrogen atoms in photolysis of cyclohexane-normal pentane mixtures at 77 K

    International Nuclear Information System (INIS)

    Miyazaky, T.; Guedes, S.M.L.; Andrade e Silva, L.G. de; Fernandes, L.

    1977-01-01

    The reaction of H atoms, produced by the photolysis of HI, has been studied in c-C 6 H 12 -n-C 5 H 12 mixtures at 77K. H atoms in c-C 6 H 12 matrix react more effectively with solute n-C 5 H 12 than solvent c-C 6 H 12 , while H atoms in n-C 5 H 12 matrix react more effectively with solute c-C 6 H 12 than solvent n-C 5 H 12 [pt

  17. Uranium refining by solvent extraction

    International Nuclear Information System (INIS)

    Kraikaew, J.

    1996-01-01

    The yellow cake refining was studied in both laboratory and semi-pilot scales. The process units mainly consist of dissolution and filtration, solvent extraction, and precipitation and filtration. Effect of flow ratio (organic flow rate/ aqueous flow rate) on working efficiencies of solvent extraction process was studied. Detailed studies were carried out on extraction, scrubbing and stripping processes. Purity of yellow cake product obtained is high as 90.32% U 3 O 8

  18. Measurement of infinite dilution activity coefficient and application of modified ASOG model for solvent-polymer systems

    Energy Technology Data Exchange (ETDEWEB)

    Choi, B.; Choi, J. [Kwangwoon University, Seoul (Korea, Republic of); Tochigi, K.; Kojima, K. [Nihon University, Tokyo (Japan)

    1996-04-20

    A gas chromatographic method was used in order to measure vapor-liquid equilibria for solvent (1)-polymer (2) systems in which the polymers were polystyrene, poly(a-methyl) styrene and the advents were benzene toluene cyclohexane methylisobutylketone, ethylacetate, and vinylacetate. The activity coefficients of solvents for solvent (1)-polymer (2) systems were measured at infinite dilution and the modified ASOG (Analytical Solution of Group) model was suggested to describe vapor-liquid equilibria of those systems within a range of temperatures 423.15K through 498.15K. The model consists of the original ASOG and the free volume term. An external degree of freedom in the free volume term empirically became to a C1={alpha}+{beta}/T as a function of temperature. Each tern in the modified ASOG model is based on the weight fraction. The external degree of freedom in the model was estimated by experimental data within a range of temperatures. As a result of doing it the infinite dilution activity coefficients calculated were agreed with the experimental data within an error of 0.1%. 27 refs., 3 figs., 7 tabs.

  19. Dual fluorescence of excited state intra-molecular proton transfer of HBFO: mechanistic understanding, substituent and solvent effects.

    Science.gov (United States)

    Yang, Wenjing; Chen, Xuebo

    2014-03-07

    A combined approach of the multiconfigurational perturbation theory with the Rice-Ramsperger-Kassel-Marcus methodology has been employed to calculate the minimum potential energy profiles and the rates of excited state intra-molecular proton transfer (ESIPT) for the WOLED material molecule of HBFO and its four meta- or para-substituted compounds in gas phase, acetonitrile and cyclohexane solvents. The kinetic control for these reactions is quantitatively determined and extensively studied on the basis of the accurate potential energy surfaces when the thermodynamic factor associated with the free energy change becomes negligible in the case of the existence of a significant barrier in the ESIPT process. These computational efforts contribute to a deep understanding of the ESIPT mechanism, dual emission characteristics, kinetic controlling factor, substituent and solvent effects for these material molecules. The white light emission is generated by the establishment of dynamic equilibrium between enol and keto forms in the charge transfer excited SCT((1)ππ*) state. The performance of white light emission is quantitatively demonstrated to be mainly sensitive to the molecular tailoring approach of the electronic properties of meta- or para- substituents by the modulation of the forward/backward ESIPT rate ratio. The quality of white light emission is slightly tunable through its surrounding solvent environment. These computational results will provide a useful strategy for the molecular design of OLED and WOLED materials.

  20. Separation of trivalent actinide from lanthanide by a solvent extraction technique using imidazoledithiocarboxylic acid

    International Nuclear Information System (INIS)

    Miyashita, S.; Yanaga, M.; Okuno, K.; Suganuma, H.; Satoh, I.

    2006-01-01

    The extraction behavior of 241 Am and 152,154 Eu by a solvent extraction technique using imidazoledithiocarboxylic acid (IMD) were investigated. Although the solubility of IMD into organic solvent is very poor, it was improved by the formation of ion pair with hydrophobic cation, such as tetrabutylammonium ion (TBA + ) or tetraoctylammonium ion (TOA + ). The obtained tetrabutylammonium imidazole-dithiocarboxylate (TBA + IMD - ) and tetraoctylammonium imidazoledithiocarboxylate (TOA + TMD - ) are able to solve into various organic solvents, for example cyclohexanone, chloroform and nitrobenzene, but not to solve into nonpolar alkane. The radionuclides of Am(III) and Eu(III) are able to be extracted in the region of 2 eq + IMD - /cyclohexanone and TOA + IMD - /cyclohexanone. The distribution ratio of Am(III) is higher than that of Eu(III) when the organic phase is 0.1 M TBA + IMD - /cyclohexanone and the aqueous phase is 1.0 M (H,Na)NO 3 . The separation factor (Am(III)/Eu(III)) at pH eq =5.5 is ca. 30. In the region of pH>6, the distribution ratios of Am(III) and Eu(III) in the system described above showed constant values, respectively. (author)

  1. Conformation Analysis of T1 Lipase on Alcohols Solvent using Molecular Dynamics Simulation

    Science.gov (United States)

    Putri, A. M.; Sumaryada, T.; Wahyudi, S. T.

    2017-07-01

    Biodiesel usually is produced commercially via a transesterification reaction of vegetable oil with alcohol and alkali catalyst. The alkali catalyst has some drawbacks, such as the soap formation during the reaction. T1 Lipase enzyme had been known as a thermostable biocatalyst which is able to produce biodiesel through a cleaner process. In this paper the performance of T1 lipase enzyme as catalyst for transesterification reaction in pure ethanol, methanol, and water solvents were studied using a Molecular Dynamics (MD) Simulation at temperature of 300 K for 10 nanoseconds. The results have shown that in general the conformation of T1 lipase enzyme in methanol is more dynamics as shown by the value of root mean square deviation (RMSD), root mean squared fluctuation (RMSF), and radius of gyration. The highest solvent accessible surface area (SASA) total was also found in methanol due to the contribution of non-polar amino acid in the interior of the protein. Analysis of MD simulation has also revealed that the enzyme structure tend to be more rigid in ethanol environment. The analysis of electrostatic interactions have shown that Glu359-Arg270 salt-bridge pair might hold the key of thermostability of T1 lipase enzyme as shown by its strong and stable binding in all three solvents.

  2. Homoepitaxial nonpolar (10-10) ZnO/ZnMgO monolithic microcavities: Towards reduced photonic disorder

    International Nuclear Information System (INIS)

    Zuniga-Perez, J.; Kappei, L.; Deparis, C.; Chenot, S.; Leroux, M.; Reveret, F.; Jamadi, O.; Leymarie, J.; Grundmann, M.; Prado, E. de

    2016-01-01

    Nonpolar ZnO/ZnMgO-based optical microcavities have been grown on (10-10) m-plane ZnO substrates by plasma-assisted molecular beam epitaxy. Reflectivity measurements indicate an exponential increase of the cavity quality factor with the number of layers in the distributed Bragg reflectors. Most importantly, microreflectivity spectra recorded with a spot size in the order of 2 μm show a negligible photonic disorder (well below 1 meV), leading to local quality factors equivalent to those obtained by macroreflectivity. The anisotropic character of the nonpolar heterostructures manifests itself both in the surface features, elongated parallel to the in-plane c direction, and in the optical spectra, with two cavity modes being observed at different energies for orthogonal polarizations.

  3. Homoepitaxial nonpolar (10-10) ZnO/ZnMgO monolithic microcavities: Towards reduced photonic disorder

    Energy Technology Data Exchange (ETDEWEB)

    Zuniga-Perez, J., E-mail: jzp@crhea.cnrs.fr; Kappei, L.; Deparis, C.; Chenot, S.; Leroux, M. [CRHEA-CNRS, Rue Bernard Gregory, 06560 Valbonne (France); Reveret, F.; Jamadi, O.; Leymarie, J. [Clermont Université, Institut Pascal (IP), BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6602, IP, F-63171 Aubière (France); Grundmann, M. [CRHEA-CNRS, Rue Bernard Gregory, 06560 Valbonne (France); Institut für Experimentelle Physik II, Fakultät für Physik und Geowissenschaften, Universität Leipzig, Linnestr. 5, 04103 Leipzig (Germany); Prado, E. de [CRHEA-CNRS, Rue Bernard Gregory, 06560 Valbonne (France); Departamento de Física Aplicada y Electromagnetismo, Universitat de Valencia, c/Dr Moliner 50, Burjassot, Valencia 46100 (Spain)

    2016-06-20

    Nonpolar ZnO/ZnMgO-based optical microcavities have been grown on (10-10) m-plane ZnO substrates by plasma-assisted molecular beam epitaxy. Reflectivity measurements indicate an exponential increase of the cavity quality factor with the number of layers in the distributed Bragg reflectors. Most importantly, microreflectivity spectra recorded with a spot size in the order of 2 μm show a negligible photonic disorder (well below 1 meV), leading to local quality factors equivalent to those obtained by macroreflectivity. The anisotropic character of the nonpolar heterostructures manifests itself both in the surface features, elongated parallel to the in-plane c direction, and in the optical spectra, with two cavity modes being observed at different energies for orthogonal polarizations.

  4. Surface topology caused by dislocations in polar, semipolar, and nonpolar InGaN/GaN heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Schade, L.; Schwarz, U.T. [Fraunhofer Institute for Applied Solid State Physics IAF, Freiburg (Germany); Department of Microsystems Engineering (IMTEK), University of Freiburg (Germany); Wernicke, T.; Rass, J.; Ploch, S. [Institute of Solid State Physics, TU Berlin (Germany); Weyers, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Berlin (Germany); Kneissl, M. [Institute of Solid State Physics, TU Berlin (Germany); Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Berlin (Germany)

    2014-04-15

    The impact of dislocations on surface topology as well as on quantum well emission in c-plane, semipolar, and nonpolar InGaN/GaN heterostructures is being analyzed by micro-photoluminescence and white-light-interferometry. V-pits with (10 anti 11) and (10 anti 1 anti 4) side facets are identified in a (10 anti 12) semipolar heterostructure. Hillocks formed by spiral growth around screw dislocations change from hexagonal to triangular to rectangular shape in polar, semipolar, and nonpolar heterostructures, respectively, reflecting the symmetry of the individual surface. The emission in semipolar quantum wells, grown homoepitaxially on bulk GaN substrates, show dark stripes aligned with misfit dislocations. For (11 anti 22) and (20 anti 21) orientation, these dark stripes are perpendicular and parallel, respectively, to surface striation. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Comparative studies of efficiency droop in polar and non-polar InGaN quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Davies, M. J.; Dawson, P.; Hammersley, S. [School of Physics and Astronomy, Photon Science Institute, University of Manchester, M13 9PL Manchester (United Kingdom); Zhu, T.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A. [Department of Material Science and Metallurgy, 27 Charles Babbage Road, University of Cambridge, Cambridge CB3 0FS (United Kingdom)

    2016-06-20

    We report on a comparative study of efficiency droop in polar and non-polar InGaN quantum well structures at T = 10 K. To ensure that the experiments were carried out with identical carrier densities for any particular excitation power density, we used laser pulses of duration ∼100 fs at a repetition rate of 400 kHz. For both types of structures, efficiency droop was observed to occur for carrier densities of above 7 × 10{sup 11 }cm{sup −2 }pulse{sup −1} per quantum well; also both structures exhibited similar spectral broadening in the droop regime. These results show that efficiency droop is intrinsic in InGaN quantum wells, whether polar or non-polar, and is a function, specifically, of carrier density.

  6. Comparative studies of efficiency droop in polar and non-polar InGaN quantum wells

    International Nuclear Information System (INIS)

    Davies, M. J.; Dawson, P.; Hammersley, S.; Zhu, T.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A.

    2016-01-01

    We report on a comparative study of efficiency droop in polar and non-polar InGaN quantum well structures at T = 10 K. To ensure that the experiments were carried out with identical carrier densities for any particular excitation power density, we used laser pulses of duration ∼100 fs at a repetition rate of 400 kHz. For both types of structures, efficiency droop was observed to occur for carrier densities of above 7 × 10 11  cm −2  pulse −1 per quantum well; also both structures exhibited similar spectral broadening in the droop regime. These results show that efficiency droop is intrinsic in InGaN quantum wells, whether polar or non-polar, and is a function, specifically, of carrier density.

  7. Reaction enthalpies of Osingle bondH bonds splitting-off in flavonoids: The role of non-polar and polar solvent

    Czech Academy of Sciences Publication Activity Database

    Vagánek, A.; Rimarčík, J.; Dropková, K.; Lengyel, Jozef; Klein, E.

    2014-01-01

    Roč. 1050, DEC 2014 (2014), s. 31-38 ISSN 2210-271X R&D Projects: GA ČR GA14-14082S Institutional support: RVO:61388955 Keywords : flavonoids * polyphenols * antioxidants Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.545, year: 2014

  8. Potential of mean force for ion pairs in non-aqueous solvents. Comparison of polarizable and non-polarizable MD simulations

    Science.gov (United States)

    Odinokov, A. V.; Leontyev, I. V.; Basilevsky, M. V.; Petrov, N. Ch.

    2011-01-01

    Potentials of mean force (PMF) are calculated for two model ion pairs in two non-aqueous solvents. Standard non-polarizable molecular dynamics simulation (NPMD) and approximate polarizable simulation (PMD) are implemented and compared as tools for monitoring PMF profiles. For the polar solvent (dimethylsulfoxide, DMSO) the PMF generated in terms of the NPMD reproduces fairly well the refined PMD-PMF profile. For the non-polar solvent (benzene) the conventional NPMD computation proves to be deficient. The validity of the correction found in terms of the approximate PMD approach is verified by its comparison with the result of the explicit PMD computation in benzene. The shapes of the PMF profiles in DMSO and in benzene are quite different. In DMSO, owing to dielectric screening, the PMF presents a flat plot with a shallow minimum positioned in the vicinity of the van der Waals contact of the ion pair. For the benzene case, the observed minimum proves to be unexpectedly deep, which manifests the formation of a tightly-binded contact ion pair. This remarkable effect arises owing to the strong electrostatic interaction that is incompletely screened by a non-polar medium. The PMFs for the binary benzene/DMSO mixtures display intermediate behaviour depending on the DMSO content.

  9. Piezoelectricity and rotostriction through polar and non-polar coupled instabilities in bismuth-based piezoceramics.

    Science.gov (United States)

    Acosta, Matias; Schmitt, Ljubomira A; Cazorla, Claudio; Studer, Andrew; Zintler, Alexander; Glaum, Julia; Kleebe, Hans-Joachim; Donner, Wolfgang; Hoffman, Mark; Rödel, Jürgen; Hinterstein, Manuel

    2016-07-01

    Coupling of order parameters provides a means to tune functionality in advanced materials including multiferroics, superconductors, and ionic conductors. We demonstrate that the response of a frustrated ferroelectric state leads to coupling between order parameters under electric field depending on grain orientation. The strain of grains oriented along a specific crystallographic direction, 〈h00〉, is caused by converse piezoelectricity originating from a ferrodistortive tetragonal phase. For 〈hhh〉 oriented grains, the strain results from converse piezoelectricity and rotostriction, as indicated by an antiferrodistortive instability that promotes octahedral tilting in a rhombohedral phase. Both strain mechanisms combined lead to a colossal local strain of (2.4 ± 0.1) % and indicate coupling between oxygen octahedral tilting and polarization, here termed "rotopolarization". These findings were confirmed with electromechanical experiments, in situ neutron diffraction, and in situ transmission electron microscopy in 0.75Bi1/2Na1/2TiO3-0.25SrTiO3. This work demonstrates that polar and non-polar instabilities can cooperate to provide colossal functional responses.

  10. Defects of polar, semipolar and nonpolar (In)GaN - a comparison

    Energy Technology Data Exchange (ETDEWEB)

    Schade, Lukas; Schwarz, Ulrich [Department of Microsystems Engeneering, IMTEK, University Freiburg (Germany); Fraunhofer Institute for Applied Solid State Physics (Germany); Wernicke, Tim; Rass, Jens; Ploch, Simon [Institute of Solid State Physics, Technical University Berlin (Germany); Forghani, Kamran [Institute for Optoelectronics, University Ulm (Germany); University of Wisconsin, Madison (United States); Kirste, Lutz [Fraunhofer Institute for Applied Solid State Physics (Germany); Weyers, Markus [Ferdinand-Braun-Institut, Berlin (Germany); Kneissl, Michael [Institute of Solid State Physics, Technical University Berlin (Germany); Ferdinand-Braun-Institut, Berlin (Germany); Scholz, Ferdinand [Institute for Optoelectronics, University Ulm (Germany)

    2013-07-01

    The GaN/InGaN material system is used to realize light emitting diodes from UV-A to the green-yellow spectral region. However, even on quasi bulk GaN substrates threading dislocations (TDs) are present with a density of 10{sup 7} cm{sup -2}. Here, we examine the influence of TDs on the luminescence intensity and transition energy. The impact caused by nonradiative recombination centers and strain fields is analyzed by micro photoluminescence and white light interferometry. We compare TDs in differently oriented GaN layers and InGaN QWs. Three types of burgers vectors are typically observed in GaN: a, c and a+c. When the surface orientation is changed from (0001) c-plane to (10 anti 10) m-plane, their character changes from edge to screw type and vice versa. We studied TDs and V-defects associated to them in polar, semipolar and nonpolar GaN and InGaN QWs. Additionally, we will present the effect of Si doping onto the strain field in (0001) GaN edge dislocations. In undoped GaN, the strain around such a dislocation forms a symmetric dipole. With Si doping, the strain dipole becomes asymmetric.

  11. Nanoporous distributed Bragg reflectors on free-standing nonpolar m-plane GaN

    Science.gov (United States)

    Mishkat-Ul-Masabih, Saadat; Luk, Ting Shan; Rishinaramangalam, Ashwin; Monavarian, Morteza; Nami, Mohsen; Feezell, Daniel

    2018-01-01

    We report the fabrication of m-plane nanoporous distributed Bragg reflectors (DBRs) on free-standing GaN substrates. The DBRs consist of 15 pairs of alternating undoped and highly doped n-type ([Si] = ˜3.7 × 1019 cm-3) GaN. Electrochemical (EC) etching was performed to convert the highly doped regions into a porous material, consequently reducing the effective refractive index of the layers. We demonstrate a DBR with peak reflectance greater than 98% at 450 nm with a stopband width of ˜72 nm. The polarization ratio of an incident polarized light source remains identical after reflection from the DBR, verifying that there is no drop in the polarization ratio due to the interfaces between the porous layers. We also quantify the porosity under various EC bias conditions for layers with different doping concentrations. The bias voltage controls the average pore diameter, while the pore density is primarily determined by the doping concentration. The results show that nanoporous DBRs on nonpolar free-standing GaN are promising candidates for high-reflectance, lattice-matched DBR mirrors for GaN-based resonant cavity devices.

  12. Thin film epitaxy and structure property correlations for non-polar ZnO films

    International Nuclear Information System (INIS)

    Pant, P.; Budai, J.D.; Aggarwal, R.; Narayan, Roger J.; Narayan, J.

    2009-01-01

    Heteroepitaxial growth and strain relaxation were investigated in non-polar a-plane (1 1 -2 0)ZnO films grown on r-plane (1 0 -1 2)sapphire substrates in the temperature range 200-700 deg. C by pulsed laser deposition. The lattice misfit in the plane of the film for this orientation varied from -1.26% in [0 0 0 1] to -18.52% in the [-1 1 0 0] direction. The alignment of (1 1 -2 0)ZnO planes parallel to (1 0 -1 2)sapphire planes was confirmed by X-ray diffraction θ-2θ scans over the entire temperature range. X-ray φ-scans revealed the epitaxial relationship:[0 0 0 1]ZnO-parallel [-1 1 0 1]sap; [-1 1 0 0]ZnO-parallel [-1 -1 2 0]sap. Depending on the growth temperature, variations in the structural, optical and electrical properties were observed in the grown films. Room temperature photoluminescence for films grown at 700 deg. C shows a strong band-edge emission. The ratio of the band-edge emission to green band emission is 135:1, indicating reduced defects and excellent optical quality of the films. The resistivity data for the films grown at 700 deg. C shows semiconducting behavior with room temperature resistivity of 2.2 x 10 -3 Ω-cm.

  13. On the spallation of a polarized photon on a nonpolarized electron

    International Nuclear Information System (INIS)

    Bozrikov, P.V.; Kopytov, G.F.

    1978-01-01

    Considered is the process of the spallation of a polarized photon of the plane electromagnet wave into two polarized photons on a nonpolarized electron. One of these photons is considered as an emitted one, another as a photon of a plane wave. The degrees of circular and linear polarization of the emitted photon are studied in detail. It is shown that the degree of linear polarization does not depend on the type of circular polarization of the initial plane wave photon. At a relativistic electron moving in the direction of the plane wave, totally linearly polarized radiation appears. The analogy between the following two processes is made: (1) γ 1 +e - → γ 2 + γ tilde +e' - (where γ 1 , γ 2 are photons of the plane wave, and γ tilde is an emitted photon) and (2) γ 1 +e - → γ 2 +γ 3 +e' - . From the correspondence between the processes it follows that the results of the investigation may be applied to the double Compton effect. Besides, it appears to be possible to study the correlation between polarization states of all three photons participating in the double Compton scattering

  14. A Fast Chromatographic Method for Estimating Lipophilicity and Ionization in Nonpolar Membrane-Like Environment.

    Science.gov (United States)

    Caron, Giulia; Vallaro, Maura; Ermondi, Giuseppe; Goetz, Gilles H; Abramov, Yuriy A; Philippe, Laurence; Shalaeva, Marina

    2016-03-07

    This study describes the design and implementation of a new chromatographic descriptor called log k'80 PLRP-S that provides information about the lipophilicity of drug molecules in the nonpolar environment, both in their neutral and ionized form. The log k'80 PLRP-S obtained on a polymeric column with acetonitrile/water mobile phase is shown to closely relate to log Ptoluene (toluene dielectric constant ε ∼ 2). The main intermolecular interactions governing log k'80 PLRP-S were deconvoluted using the Block Relevance (BR) analysis. The information provided by this descriptor was compared to ElogD and calclog Ptol, and the differences are highlighted. The "charge-flush" concept is introduced to describe the sensitivity of log k'80 PLRP-S to the ionization state of compounds in the pH range 2 to 12. The ability of log k'80 PLRP-S to indicate the propensity of neutral molecules and monoanions to form Intramolecular Hydrogen Bonds (IMHBs) is proven through a number of examples.

  15. Single charging events on colloidal particles in a nonpolar liquid with surfactant

    Science.gov (United States)

    Schreuer, Caspar; Vandewiele, Stijn; Brans, Toon; Strubbe, Filip; Neyts, Kristiaan; Beunis, Filip

    2018-01-01

    Electrical charging of colloidal particles in nonpolar liquids due to surfactant additives is investigated intensively, motivated by its importance in a variety of applications. Most methods rely on average electrophoretic mobility measurements of many particles, which provide only indirect information on the charging mechanism. In the present work, we present a method that allows us to obtain direct information on the charging mechanism, by measuring the charge fluctuations on individual particles with a precision higher than the elementary charge using optical trapping electrophoresis. We demonstrate the capabilities of the method by studying the influence of added surfactant OLOA 11000 on the charging of single colloidal PMMA particles in dodecane. The particle charge and the frequency of charging events are investigated both below and above the critical micelle concentration (CMC) and with or without applying a DC offset voltage. It is found that at least two separate charging mechanisms are present below the critical micelle concentration. One mechanism is a process where the particle is stripped from negatively charged ionic molecules. An increase in the charging frequency with increased surfactant concentration suggests a second mechanism that involves single surfactant molecules. Above the CMC, neutral inverse micelles can also be involved in the charging process.

  16. Composition of the non-polar extracts and antimicrobial activity of Chorisia insignis HBK. leaves

    Directory of Open Access Journals (Sweden)

    Salma Ahmed Mahmoud El Sawi

    2014-12-01

    Full Text Available Objective: To investigate the chemical constituents of the petroleum ether extract and the ether fraction of the 70% ethanol extract of Chorisia insignis HBK. leaves, as well as screen its antimicrobial activity. Methods: Different chromatographic methods were applied to investigate the non-polar extracts and the diffusion assay method was applied to study the antimicrobial activity. Results: A total of 50 compounds from the unsaponifiable matter and 20 fatty acid methyl esters were identified from the petroleum ether extract by GC/MS analysis. n-Hentriacontane, n-tritriacontane, stigmastanol, 3-methoxy-5, 6-dihydrostigmasterol, 7,8-dihydroergosterol, 4-methylcholesterol, cholestanol, multiflorenol, cholest-5-en-3-one, cholest-6-one, 5,6- dihydroergosterol, stigmasterol, dihydroalbigenin and 11-methyl-Δ5,7,9,15,17,23-triacont-hex-ene were isolated from the petroleum ether extract. Methyl heptacosanoate and quinic acid ester of rhamnose were isolated from the ether fraction of the 70% ethanol extract. Antimicrobial activity of the total alcohol extract and the successive fractions showed that the ether and the ethyl acetate fractions have potent antibacterial activity against Bacillus subtilis and Bacillus cereus. Conclusions: The ether and the ethyl acetate fractions could be used in pharmaceutical formulations as antibacterial agents against Bacillus subtilis and Bacillus cereus, and further clinical trials should be performed in order to support the above investigations.

  17. Redox shuttles having an aromatic ring fused to a 1,1,4,4-tetrasubstituted cyclohexane ring

    Science.gov (United States)

    Weng, Wei; Zhang, Zhengcheng; Amine, Khalil

    2015-12-01

    An electrolyte includes an alkali metal salt; an aprotic solvent; and a redox shuttle additive including an aromatic compound having at least one aromatic ring fused with at least one non-aromatic ring, the aromatic ring having two or more oxygen or phosphorus-containing substituents.

  18. Cyclohexane-1,2-dicarboxylic acid diisononyl ester and metabolite effects on rat epididymal stromal vascular fraction differentiation of adipose tissue

    Energy Technology Data Exchange (ETDEWEB)

    Campioli, Enrico [Research Institute of the McGill University Health Centre (Canada); Department of Medicine, McGill University, Montréal, Québec (Canada); Duong, Tam B. [Research Institute of the McGill University Health Centre (Canada); Deschamps, François [Synthèse AptoChem Inc., Montréal, Québec (Canada); Papadopoulos, Vassilios, E-mail: vassilios.papadopoulos@mcgill.ca [Research Institute of the McGill University Health Centre (Canada); Department of Medicine, McGill University, Montréal, Québec (Canada); Department of Biochemistry, McGill University, Montréal, Québec (Canada); Department of Pharmacology and Therapeutics, McGill University, Montréal, Québec (Canada)

    2015-07-15

    Plastics are generally mixed with additives like plasticizers to enhance their flexibility, pliability, and elasticity proprieties. Plasticizers are easily released into the environment and are absorbed mainly through ingestion, dermal contact, and inhalation. One of the main classes of plasticizers, phthalates, has been associated with endocrine and reproductive diseases. In 2002, 1,2-cyclohexane dicarboxylic acid diisononyl ester (DINCH) was introduced in the market for use in plastic materials and articles intended to come into contact with food, and it received final approval from the European Food Safety Authority in 2006. At present, there is limited knowledge about the safety and potential metabolic and endocrine-disrupting properties of DINCH and its metabolites. The purpose of this study was to evaluate the biological effects of DINCH and its active metabolites, cyclohexane-1,2-dicarboxylic acid (CHDA) and cyclohexane-1,2-dicarboxylic acid mono isononyl ester (MINCH), on rat primary stromal vascular fraction (SVF) of adipose tissue. DINCH and its metabolite, CHDA, were not able to directly affect SVF differentiation. However, exposure of SVF to 50 μM and 100 μM concentrations of MINCH affected the expression of Cebpa and Fabp4, thus inducing SVF preadipocytes to accumulate lipids and fully differentiate into mature adipocytes. The effect of MINCH was blocked by the specific peroxisome proliferator-activated receptor (PPAR)-α antagonist, GW6471. Taken together, these results suggest that MINCH is a potent PPAR-α agonist and a metabolic disruptor, capable of inducing SVF preadipocyte differentiation, that may interfere with the endocrine system in mammals. - Highlights: • DINCH and CHDA did not affect the adipogenesis of the SVF. • MINCH affected the adipogenesis of the SVF. • MINCH effect was blocked by the specific PPAR-α antagonist GW6471. • MINCH exerted a similar effect as MEHP on SVF adipogenesis. • DINCH/MINCH are potential metabolic

  19. Surface structures of normal paraffins and cyclohexane monolayers and thin crystals grown on the (111) crystal face of platinum. A low-energy electron diffraction study

    International Nuclear Information System (INIS)

    Firment, L.E.; Somorjai, G.A.

    1977-01-01

    The surfaces of the normal paraffins (C 3 --C 8 ) and cyclohexane have been studied using low-energy electron diffraction (LEED). The samples were prepared by vapor deposition on the (111) face of a platinum single crystal in ultrahigh vacuum, and were studied both as thick films and as adsorbed monolayers. These molecules form ordered monolayers on the clean metal surface in the temperature range 100--220 K and at a vapor flux corresponding to 10 -7 Torr. In the adsorbed monolayers of the normal paraffins (C 4 --C 8 ), the molecules lie with their chain axes parallel to the Pt surface and Pt[110]. The paraffin monolayer structures undergo order--disorder transitions as a function of temperature. Multilayers condensed upon the ordered monolayers maintained the same orientation and packing as found in the monolayers. The surface structures of the growing organic crystals do not corresond to planes in their reported bulk crystal structures and are evidence for epitaxial growth of pseudomorphic crystal forms. Multilayers of n-octane and n-heptane condensed upon disordered monolayers have also grown with the (001) plane of the triclinic bulk crystal structures parallel to the surface. n-Butane has three monolayer structures on Pt(111) and one of the three is maintained during growth of the crystal. Cyclohexane forms an ordered monolayer, upon which a multilayer of cyclohexane grows exhibiting the (001) surface orientation of the monoclinic bulk crystal structure. Surface structures of saturated hydrocarbons are found to be very susceptible to electron beam induced damage. Surface charging interferes with LEED only at sample thicknesses greater than 200 A

  20. Solvent/Non-Solvent Sintering To Make Microsphere Scaffolds

    Science.gov (United States)

    Laurencin, Cato T.; Brown, Justin L.; Nair, Lakshmi

    2011-01-01

    A solvent/non-solvent sintering technique has been devised for joining polymeric microspheres to make porous matrices for use as drug-delivery devices or scaffolds that could be seeded with cells for growing tissues. Unlike traditional sintering at elevated temperature and pressure, this technique is practiced at room temperature and pressure and, therefore, does not cause thermal degradation of any drug, protein, or other biochemical with which the microspheres might be loaded to impart properties desired in a specific application. Also, properties of scaffolds made by this technique are more reproducible than are properties of comparable scaffolds made by traditional sintering. The technique involves the use of two miscible organic liquids: one that is and one that is not a solvent for the affected polymer. The polymeric microspheres are placed in a mold having the size and shape of the desired scaffold, then the solvent/non-solvent mixture is poured into the mold to fill the void volume between the microspheres, then the liquid mixture is allowed to evaporate. Some of the properties of the resulting scaffold can be tailored through choice of the proportions of the liquids and the diameter of the microspheres.

  1. Preparation of a novel bioavailable curcuminoid formulation (Cureit™) using Polar-Nonpolar-Sandwich (PNS) technology and its characterization and applications

    International Nuclear Information System (INIS)

    Amalraj, Augustine; Jude, Shintu; Varma, Karthik; Jacob, Joby; Gopi, Sreeraj; Oluwafemi, Oluwatobi S.; Thomas, Sabu

    2017-01-01

    Health benefits of curcuminoid are highly limited due to their poor aqueous solubility, very low systemic bioavailability, fast metabolic alterations and rapid elimination. In this study, a novel bioavailable curcuminoid formulation Cureit™ was prepared by using Polar-Nonpolar-Sandwich (PNS) technology with complete natural turmeric matrix (CNTM). The synthesized bioavailable curcuminoid formulation Cureit™ was characterizations by Nuclear magnetic resonance spectroscopy (NMR), scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infra-red (IR), current-voltage (I-V) study, Quadrupole Time-of-Flight Mass Spectrometry (Q-TOF), differential scanning calorimeter (DSC) and thermogravimetric analysis (TGA). NMR study showed the presence of hydrogen bonding interactions with curcuminoids, polar and non-polar compounds in the PNS technology. SEM images indicated that Cureit™ was almost spherical and well dispersed with rough morphology, and separated with three layers of PNS formulation. The chemical profile of Cureit™ was analyzed by Q-TOF confirmed the presence of curcuminoids (curcumin, demethoxycurcumin and bismethoxycurcumin), lactones, sesquiterpenes and their derivatives derived from polar layer, aromatic turmerone, dihydroturmerone, turmeronol, curdione and bisacurone derived from non-polar layer. IR, XRD, DSC and TGA also confirmed the presence of curcuminoids with high stability in the PNS formulation. Various biological activities of Cureit™ were also discussed. - Highlights: • A novel bioavailable curcuminoid formulation Cureit™ was prepared. • Polar-Nonpolar-Sandwich technology is used with complete natural turmeric matrix. • Cureit™ was analyzed and predicted by NMR, SEM, XRD, IR, I-V, Q-TOF, DSC and TGA. • Cureit™ exhibited 10 fold higher bioavailable curcuminoid than pure curcuminoid.

  2. Direct Evidence of Mg Incorporation Pathway in Vapor-Liquid-Solid Grown p-type Nonpolar GaN Nanowires

    OpenAIRE

    Patsha, Avinash; Amirthapandian, S.; Pandian, Ramanathaswamy; Bera, S.; Bhattacharya, Anirban; Dhara, Sandip

    2015-01-01

    Doping of III-nitride based compound semiconductor nanowires is still a challenging issue to have a control over the dopant distribution in precise locations of the nanowire optoelectronic devices. Knowledge of the dopant incorporation and its pathways in nanowires for such devices is limited by the growth methods. We report the direct evidence of incorporation pathway for Mg dopants in p-type nonpolar GaN nanowires grown via vapour-liquid-solid (VLS) method in a chemical vapour deposition te...

  3. Preparation of a novel bioavailable curcuminoid formulation (Cureit™) using Polar-Nonpolar-Sandwich (PNS) technology and its characterization and applications

    Energy Technology Data Exchange (ETDEWEB)

    Amalraj, Augustine; Jude, Shintu; Varma, Karthik; Jacob, Joby [R& D Centre, Aurea Biolabs (P) Ltd, Kolenchery, Cochin, 682 311, Kerala (India); Gopi, Sreeraj, E-mail: sreeraj.gopi@plantlipids.com [R& D Centre, Aurea Biolabs (P) Ltd, Kolenchery, Cochin, 682 311, Kerala (India); Oluwafemi, Oluwatobi S. [Department of Applied Chemistry, University of Johannesburg, Doornfontein Campus, P.O. Box 17011, Doornfontein, 2028 Johannesburg (South Africa); Centre for Nanomaterials Science Research, University of Johannesburg, Johannesburg (South Africa); Thomas, Sabu [School of Chemical Sciences, Mahatma Gandhi University, Kottayam (India)

    2017-06-01

    Health benefits of curcuminoid are highly limited due to their poor aqueous solubility, very low systemic bioavailability, fast metabolic alterations and rapid elimination. In this study, a novel bioavailable curcuminoid formulation Cureit™ was prepared by using Polar-Nonpolar-Sandwich (PNS) technology with complete natural turmeric matrix (CNTM). The synthesized bioavailable curcuminoid formulation Cureit™ was characterizations by Nuclear magnetic resonance spectroscopy (NMR), scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infra-red (IR), current-voltage (I-V) study, Quadrupole Time-of-Flight Mass Spectrometry (Q-TOF), differential scanning calorimeter (DSC) and thermogravimetric analysis (TGA). NMR study showed the presence of hydrogen bonding interactions with curcuminoids, polar and non-polar compounds in the PNS technology. SEM images indicated that Cureit™ was almost spherical and well dispersed with rough morphology, and separated with three layers of PNS formulation. The chemical profile of Cureit™ was analyzed by Q-TOF confirmed the presence of curcuminoids (curcumin, demethoxycurcumin and bismethoxycurcumin), lactones, sesquiterpenes and their derivatives derived from polar layer, aromatic turmerone, dihydroturmerone, turmeronol, curdione and bisacurone derived from non-polar layer. IR, XRD, DSC and TGA also confirmed the presence of curcuminoids with high stability in the PNS formulation. Various biological activities of Cureit™ were also discussed. - Highlights: • A novel bioavailable curcuminoid formulation Cureit™ was prepared. • Polar-Nonpolar-Sandwich technology is used with complete natural turmeric matrix. • Cureit™ was analyzed and predicted by NMR, SEM, XRD, IR, I-V, Q-TOF, DSC and TGA. • Cureit™ exhibited 10 fold higher bioavailable curcuminoid than pure curcuminoid.

  4. Use of solvent mixtures for total lipid extraction of Chlorella vulgaris and gas chromatography FAME analysis.

    Science.gov (United States)

    Moradi-Kheibari, Narges; Ahmadzadeh, Hossein; Hosseini, Majid

    2017-09-01

    Lipid extraction is the bottleneck step for algae-based biodiesel production. Herein, 12 solvent mixture systems (mixtures of three non-polar and two polar organic solvents) were examined to evaluate their effects on the total lipid yield from Chlorella vulgaris (C. vulgaris). Moreover, the extraction yields of three solvent systems with maximum extraction efficiency of esterifiable lipids were determined by acidic transesterification and GC-FID analysis. Three solvent systems, which resulted in a higher extraction yield, were further subjected to fatty acid methyl ester (FAME) analysis. The total lipid extraction yields (based on dry biomass) were (38.57 ± 1.51), (25.33 ± 0.58), and (25.17 ± 1.14) %, for chloroform-methanol (1:2) (C1M2), hexane-methanol (1:2) (H1M2), and chloroform-methanol (2:1) (C2M1), respectively. The extraction efficiency of C1M2 was approximately 1.5 times higher than H1M2 and C2M1, whereas the FAME profile of extracted lipids by H1M2 and C1M2 were almost identical. Moreover, the esterifiable lipid extraction yields of (18.14 ± 2.60), (16.66 ± 0.35), and (13.22 ± 0.31) % (based on dry biomass) were obtained for C1M2, H1M2, and C2M1 solvent mixture systems, respectively. The biodiesel fuel properties produced from C. vulgaris were empirically predicted and compared to that of the EN 14214 and ASTM 6751 standard specifications.

  5. Relaxation phenomena of polar non-polar liquid mixtures under low ...

    Indian Academy of Sciences (India)

    der high-frequency electric field have gained much importance to study the structure as ... Purohit et al [1,2] and Srivastava and Srivastava [3] had measured the real ε¼ ... The cell containing the experimental liquid in a given solvent .... due to inductive, mesomeric and electromeric effects of the substituent polar groups at-.

  6. Polymer-modified copper catalysts on carbon-containing support for reactions of H2O2 decomposition and cyclohexane oxidation

    Directory of Open Access Journals (Sweden)

    S. Auezkhanova

    2012-12-01

    Full Text Available Polymer-copper catalysts supported on a carbon-containing sorbent(CS, obtained by rice husk pyrolysis have been studied in the reactions of hydrogen peroxide decomposition and cyclohexane oxidation by hydrogen peroxide at 40°C and atmospheric pressure. The effect of the polymer nature on the activity of the developed catalysts have been shown. Polyhexamethyleneguanidine (PHMG was an optimal modifier for the developed catalysts. The calculated number of catalytic cycles (TON for 7% Cu-PGMG/CS was 450.

  7. Growth and characterization of polar and nonpolar ZnO film grown on sapphire substrates by using atomic layer deposition

    International Nuclear Information System (INIS)

    Kim, Ki-Wook; Son, Hyo-Soo; Choi, Nak-Jung; Kim, Jihoon; Lee, Sung-Nam

    2013-01-01

    We investigated the electrical and the optical properties of polar and nonpolar ZnO films grown on sapphire substrates with different crystallographic planes. High resolution X-ray results revealed that polar c-plane (0001), nonpolar m-plane (10-10) and a-plane (11-20) ZnO thin films were grown on c-plane, m- and r-sapphire substrates by atomic layer deposition, respectively. Compared with the c-plane ZnO film, nonpolar m-plane and a-plane ZnO films showed smaller surface roughness and anisotropic surface structures. Regardless of ZnO crystal planes, room temperature photoluminescence spectra represented two emissions which consisted of the near bandedge (∼ 380 nm) and the deep level emission (∼ 500 nm). The a-plane ZnO films represented better optical and electrical properties than c-plane ZnO, while m-plane ZnO films exhibited poorer optical and electrical properties than c-plane ZnO. - Highlights: • Growth and characterization of a-, c- and m-plane ZnO film by atomic layer deposition. • The a-plane ZnO represented better optical and electrical properties than c-plane ZnO. • The m-plane ZnO exhibited poorer optical and electrical properties than c-plane ZnO

  8. The nature of carrier localisation in polar and nonpolar InGaN/GaN quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Dawson, P., E-mail: philip.dawson@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Schulz, S. [Photonics Theory Group, Tyndall National Institute, Dyke Parade, Cork (Ireland); Oliver, R. A.; Kappers, M. J.; Humphreys, C. J. [Department of Material Science and Metallurgy, 27 Charles Babbage Road, University of Cambridge, Cambridge CB3 0FS (United Kingdom)

    2016-05-14

    In this paper, we compare and contrast the experimental data and the theoretical predictions of the low temperature optical properties of polar and nonpolar InGaN/GaN quantum well structures. In both types of structure, the optical properties at low temperatures are governed by the effects of carrier localisation. In polar structures, the effect of the in-built electric field leads to electrons being mainly localised at well width fluctuations, whereas holes are localised at regions within the quantum wells, where the random In distribution leads to local minima in potential energy. This leads to a system of independently localised electrons and holes. In nonpolar quantum wells, the nature of the hole localisation is essentially the same as the polar case but the electrons are now coulombically bound to the holes forming localised excitons. These localisation mechanisms are compatible with the large photoluminescence linewidths of the polar and nonpolar quantum wells as well as the different time scales and form of the radiative recombination decay curves.

  9. Solvents interactions with thermochromic print

    Directory of Open Access Journals (Sweden)

    Mirela Rožić

    2017-12-01

    Full Text Available In this study, the interactions between different solvents (benzene, acetone, cyclohexanone, various alcohols and water and thermochromic printing ink were investigated. Thermochromic printing ink was printed on metal surface. Components of thermochromic printing inks are polymeric microcapsules and classic yellow offset printing ink. Below its activation temperature, dye and developer within the microcapsules form a blue coloured complex. Therefore, thermochromic print is green. By heating above the activation temperature, blue colour of the complex turns into the leuco dye colourless state and the green colour of the prints turns into the yellow colour of the classic offset pigment. The results of the interaction with various solvents show that the thermochromic print is stable in all tested solvents except in ethanol, acetone and cyclohexanone. In ethanol, the green colour of the print becomes yellow. SEM analysis shows that microcapsules are dissolved. In acetone and cyclohexanone, the green colour of the print turns into blue, and the microcapsules become significantly more visible. Thus, the yellow pigment interacts with examined ketones. Based on the obtained interactions it can be concluded that the microcapsules have more polar nature than the classical pigment particles. Solvent-thermocromic print interactions were analysed using Hansen solubility parameters that rank the solvents based on their estimated interaction capabilities.

  10. 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.

  11. Multiple sclerosis and organic solvents

    DEFF Research Database (Denmark)

    Mortensen, J T; Brønnum-Hansen, Henrik; Rasmussen, K

    1998-01-01

    We investigated a possible causal relation between exposure to organic solvents in Danish workers (housepainters, typographers/printers, carpenters/cabinetmakers) and onset of multiple sclerosis. Data on men included in the Danish Multiple Sclerosis Register (3,241 men) were linked with data from......, and butchers. Over a follow-up period of 20 years, we observed no increase in the incidence of multiple sclerosis among men presumed to be exposed to organic solvents. It was not possible to obtain data on potential confounders, and the study design has some potential for selection bias. Nevertheless......, the study does not support existing hypotheses regarding an association between occupational exposure to organic solvents and multiple sclerosis....

  12. Indium recovery by solvent extraction

    International Nuclear Information System (INIS)

    Fortes, Marilia Camargos Botelho

    1999-04-01

    Indium has been recovered as a byproduct from residues generated from the sulfuric acid leaching circuits in mineral plants for zinc recovery. Once its recovery comes from the slags of other metals recovery, it is necessary to separate it from the other elements which usually are present in high concentrations. Many works have been approaching this separation and indicate the solvent extraction process as the main technique used. In Brazilian case, indium recovery depends on the knowledge of this technique and its development. This paper describes the solvent extraction knowledge for the indium recovery from aqueous solutions generated in mineral plants. The results for determination of the best experimental conditions to obtain a high indium concentration solution and minimum iron poisoning by solvent extraction with di (2-ethylhexyl)-phosphoric acid (D2EHPA) solubilized in isoparafin and exxsol has been presented. (author)

  13. Solvent sorting in (mixed solvent electrolyte) systems: Time-resolved ...

    Indian Academy of Sciences (India)

    lar solvents as an effective single component dipo- lar liquid that is characterized ... and time (t) dependent solvation energy of mobile dipo- lar solute with density ..... Even though this way for modification of C is purely ad- hoc, the observation ...

  14. Effect of polar and non-polar surfaces of ZnO nanostructures on photocatalytic properties

    International Nuclear Information System (INIS)

    Yang Jinghai; Wang Jian; Li Xiuyan; Lang Jihui; Liu Fuzhu; Yang Lili; Zhai Hongju; Gao Ming; Zhao Xiaoting

    2012-01-01

    Highlights: ► Large-scale arrayed ZnO nanocrystals including ZnO hexagonal platforms and hamburger-like samples have been successfully fabricated by a simple hydrothermal method. ► ZnO with hexagonal platform-like morphology exhibited higher photocatalytic activity compared with that of the hamburger-like ZnO nanostructures. ► The theories of expose surfaces and oxygen vacancies were utilized to explain the photocatalytic mechanism. - Abstract: Large-scale arrayed ZnO nanocrystals with two different expose surfaces, including ZnO hexagonal nanoplatforms with the major expose plane of (0 0 0 1) and hamburger-like samples with the nonpolar planes of {101 ¯ 0} mainly exposed, were successfully fabricated by a simple hydrothermal method. Mechanisms for compare the photocatalytic activity of two typical ZnO nanostructures were systematic explained as the key point in the paper. Compared with the hamburger-like ZnO nanostructures, the ZnO with hexagonal platform-like morphology exhibited improved ability on the photocatalytic degradation of Rhodamine B (RhB) in aqueous solution under UV radiation. The relative higher photocatalytic activity of the ZnO hexagonal nanoplatforms was attributed to the exposed polar surfaces and the content of oxygen vacancy on the nanostructures surface. The Zn-terminated (0 0 0 1) polar face and the surface defects are facile to adsorb O 2− and OH − ions, resulting in a greater production rate of O 2 · − and OH· − , hence promoting the photocatalysis reaction.

  15. Evidence of micropore filling for sorption of nonpolar organic contaminants by condensed organic matter.

    Science.gov (United States)

    Ran, Yong; Yang, Yu; Xing, Baoshan; Pignatello, Joseph J; Kwon, Seokjoo; Su, Wei; Zhou, Li

    2013-01-01

    Although microporosity and surface area of natural organic matter (NOM) are crucial for mechanistic evaluation of the sorption process for nonpolar organic contaminants (NOCs), they have been underestimated by the N adsorption technique. We investigated the CO-derived internal hydrophobic microporosity () and specific surface area (SSA) obtained on dry samples and related them to sorption behaviors of NOCs in water for a wide range of condensed NOM samples. The is obtained from the total CO-derived microporosity by subtracting out the contribution of the outer surfaces of minerals and NOM using N adsorption-derived parameters. The correlation between or CO-SSA and fractional organic carbon content () is very significant, demonstrating that much of the microporosity is associated with internal NOM matrices. The average and CO-SSA are, respectively, 75.1 μL g organic carbon (OC) and 185 m g OC from the correlation analysis. The rigid aliphatic carbon significantly contributes to the microporosity of the Pahokee peat. A strong linear correlation is demonstrated between / and the OC-normalized sorption capacity at the liquid or subcooled liquid-state water solubility calculated via the Freundlich equation for each of four NOCs (phenanthrene, naphthalene, 1,3,5-trichlorobenzene, and 1,2-dichlorobenzene). We concluded that micropore filling ("adsorption") contributes to NOC sorption by condensed NOM, but the exact contribution requires knowing the relationship between the dry-state, CO-determined microporosity and the wet-state, NOC-available microporosity of the organic matter. The findings offer new clues for explaining the nonideal sorption behaviors of NOCs. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  16. Na+ -K+ -2Cl- Cotransporter (NKCC) Physiological Function in Nonpolarized Cells and Transporting Epithelia.

    Science.gov (United States)

    Delpire, Eric; Gagnon, Kenneth B

    2018-03-25

    Two genes encode the Na + -K + -2Cl - cotransporters, NKCC1 and NKCC2, that mediate the tightly coupled movement of 1Na + , 1K + , and 2Cl - across the plasma membrane of cells. Na + -K + -2Cl - cotransport is driven by the chemical gradient of the three ionic species across the membrane, two of them maintained by the action of the Na + /K + pump. In many cells, NKCC1 accumulates Cl - above its electrochemical potential equilibrium, thereby facilitating Cl - channel-mediated membrane depolarization. In smooth muscle cells, this depolarization facilitates the opening of voltage-sensitive Ca 2+ channels, leading to Ca 2+ influx, and cell contraction. In immature neurons, the depolarization due to a GABA-mediated Cl - conductance produces an excitatory rather than inhibitory response. In many cell types that have lost water, NKCC is activated to help the cells recover their volume. This is specially the case if the cells have also lost Cl - . In combination with the Na + /K + pump, the NKCC's move ions across various specialized epithelia. NKCC1 is involved in Cl - -driven fluid secretion in many exocrine glands, such as sweat, lacrimal, salivary, stomach, pancreas, and intestine. NKCC1 is also involved in K + -driven fluid secretion in inner ear, and possibly in Na + -driven fluid secretion in choroid plexus. In the thick ascending limb of Henle, NKCC2 activity in combination with the Na + /K + pump participates in reabsorbing 30% of the glomerular-filtered Na + . Overall, many critical physiological functions are maintained by the activity of the two Na + -K + -2Cl - cotransporters. In this overview article, we focus on the functional roles of the cotransporters in nonpolarized cells and in epithelia. © 2018 American Physiological Society. Compr Physiol 8:871-901, 2018. Copyright © 2018 American Physiological Society. All rights reserved.

  17. 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

  18. Nonpolar ZnO film growth and mechanism for anisotropic in-plane strain relaxation

    International Nuclear Information System (INIS)

    Pant, P.; Budai, J.D.; Narayan, J.

    2010-01-01

    Using high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction, we investigated the strain relaxation mechanisms for nonpolar (1 1 -2 0) a-plane ZnO epitaxy on (1 -1 0 2) r-plane sapphire, where the in-plane misfit ranges from -1.5% for the [0 0 0 1]ZnO-parallel [1 -1 0 -1]sapphire to -18.3% for the [-1 1 0 0]ZnO-parallel [-1 -1 2 0]sapphire direction. For the large misfit [-1 1 0 0]ZnO direction the misfit strains are fully relaxed at the growth temperature, and only thermal misfit and defect strains, which cannot be relaxed fully by slip dislocations, remain on cooling. For the small misfit direction, lattice misfit is not fully relaxed at the growth temperature. As a result, additive unrelaxed lattice and thermal misfit and defect strains contribute to the measured strain. Our X-ray diffraction measurements of lattice parameters show that the anisotropic in-plane biaxial strain leads to a distortion of the hexagonal symmetry of the ZnO basal plane. Based on the anisotropic strain relaxation observed along the orthogonal in-plane [-1 1 0 0] and [0 0 0 1]ZnO stress directions and our HRTEM investigations of the interface, we show that the plastic relaxation occurring in the small misfit direction [0 0 0 1]ZnO by dislocation nucleation is incomplete. These results are consistent with the domain-matching paradigm of a complete strain relaxation for large misfits and a difficulty in relaxing the film strain for small misfits.

  19. Fluorescence and room temperature phosphorescence of 6-bromo-2-naphthol in {beta}-cyclodextrin solution and its selective molecular recognition for cyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Zhai Yanqiang; Zhang Shuzhen; Xie Jianwei; Liu Changsong

    2003-10-08

    The room temperature phosphorescence (RTP) and fluorescence behavior of 6-bromo-2-naphthol (BN) in water and {beta}-cyclodextrin ({beta}-CD) aerated aqueous solution was investigated. The study of fluorescence behavior at different pH values indicated that three kinds of species of BN (protonated, uncharged and anionic species) formed 1:1 inclusion complexes with {beta}-CD, and RTP and fluorescence emission depended on the pH of the solution. The inclusion complex constants were 430{+-}25 l mol{sup -1} (pH 1.80), 840{+-}25 l mol{sup -1} (pH 5.80), 1850{+-}75 l mol{sup -1} (pH 11.50), respectively. Experimental results elucidated that RTP of the BN/{beta}-CD/cyclohexane solution came from the protonated and uncharged species of BN, but not from the anionic species, though the inclusion constant of the anionic species of BN with {beta}-CD was larger than that of the other two species of BN Selective molecular recognition of BN/{beta}-CD as an RTP sensor for 28 small organic molecules was studied, it was shown that BN/{beta}-CD could be develop as a new RTP sensor with high selectivity molecular recognition ability for cyclohexane.

  20. Fluorescence and room temperature phosphorescence of 6-bromo-2-naphthol in β-cyclodextrin solution and its selective molecular recognition for cyclohexane

    International Nuclear Information System (INIS)

    Zhai Yanqiang; Zhang Shuzhen; Xie Jianwei; Liu Changsong

    2003-01-01

    The room temperature phosphorescence (RTP) and fluorescence behavior of 6-bromo-2-naphthol (BN) in water and β-cyclodextrin (β-CD) aerated aqueous solution was investigated. The study of fluorescence behavior at different pH values indicated that three kinds of species of BN (protonated, uncharged and anionic species) formed 1:1 inclusion complexes with β-CD, and RTP and fluorescence emission depended on the pH of the solution. The inclusion complex constants were 430±25 l mol -1 (pH 1.80), 840±25 l mol -1 (pH 5.80), 1850±75 l mol -1 (pH 11.50), respectively. Experimental results elucidated that RTP of the BN/β-CD/cyclohexane solution came from the protonated and uncharged species of BN, but not from the anionic species, though the inclusion constant of the anionic species of BN with β-CD was larger than that of the other two species of BN Selective molecular recognition of BN/β-CD as an RTP sensor for 28 small organic molecules was studied, it was shown that BN/β-CD could be develop as a new RTP sensor with high selectivity molecular recognition ability for cyclohexane

  1. Chemiluminescence from an oxidation reaction of rhodamine B with cerium(IV) in a reversed micellar medium of cetyltrimethylammonium chloride in 1-hexanol-cyclohexane/water.

    Science.gov (United States)

    Hasanin, Tamer H A; Tsunemine, Yusuke; Tsukahara, Satoshi; Okamoto, Yasuaki; Fujiwara, Terufumi

    2011-01-01

    The chemiluminescence (CL) emission, observed when rhodamine B (RB) in 1-hexanol-cyclohexane was mixed with cerium(IV) sulfate in sulfuric acid dispersed in a reversed micellar medium of cetyltrimethylammonium chloride (CTAC) in 1-hexanol-cyclohexane/water, was investigated using a flow-injection system. The CL emission from the oxidation reaction of RB with Ce(IV) was found to be stronger in the CTAC reversed micellar solution compared with an aqueous solution. Bearing on the enhancement effect of the CTAC reverse micelles on the RB-Ce(IV) CL, several studies including stopped-flow, fluorescence and electron spin resonance (ESR) spectrometries were performed. Rapid spectral changes of an intermediate in the RB-Ce(IV) reaction in the aqueous and reversed micellar solutions were successfully observed using a stopped-flow method. The effect of the experimental variables, i.e., oxidant concentration, sulfuric acid concentration, the mole fraction of 1-hexanol, water-to-surfactant molar concentration ratio, flow rate, upon the CL intensity was evaluated. Under the experimental conditions optimized for a flow-injection determination of RB based on the new reversed micellar-mediated CL reaction with Ce(IV), a detection limit of 0.08 µmol dm(-3) RB was achieved, and a linear calibration graph was obtained with a dynamic range from 0.5 to 20 µmol dm(-3). The relative standard deviation (n = 6) obtained at an RB concentration of 3 µmol dm(-3) was 3%.

  2. Determination of the solid surface critical exponent β{sub 1} from contact-angle variation on approach to a wetting transition: Cyclohexane/aniline/quartz

    Energy Technology Data Exchange (ETDEWEB)

    Pallas, Norman R., E-mail: Sam-7-iam@hotmail.com [BP Research Centre Warrensville, 4440 Warrensville Center Road, Cleveland, Ohio 44128 (United States)

    2016-03-21

    The three-phase contact angle (θ) for the system cyclohexane/aniline/quartz has been measured from drop shapes as a function of temperature on approach to the cyclohexane/aniline upper consolute solution temperature T{sub c}. The experiments employed exacting criteria previously established for thermodynamic-quality measurements at fluid interfaces. A first-order wetting transition from partial wetting to complete wetting was observed at a temperature T{sub w}, 2.12 K below T{sub c}. The contact angle vanishes at T{sub w}, scaling as cos θ ∼ |T − T{sub c}|{sup β{sub 1}−μ} for T < T{sub w} and cos θ = 1.0 for T{sub w} < T < T{sub c}. The experimental results give a value for β{sub 1} = 0.74 ± 0.03, in agreement with theoretical calculations. The data clearly rule out higher order contributions to the change in the contact angle near the critical point for this system. These results are in marked contrast to previous measurements on this system from measurements of capillary rise and meniscus curvature.

  3. In vitro cytotoxicity of nonpolar constituents from different parts of kava plant (Piper methysticum).

    Science.gov (United States)

    Jhoo, Jin-Woo; Freeman, James P; Heinze, Thomas M; Moody, Joanna D; Schnackenberg, Laura K; Beger, Richard D; Dragull, Klaus; Tang, Chung-Shih; Ang, Catharina Y W

    2006-04-19

    Kava (Piper methysticum), a perennial shrub native to the South Pacific islands, has been used to relieve anxiety. Recently, several cases of severe hepatotoxicity have been reported from the consumption of dietary supplements containing kava. It is unclear whether the kava constituents, kavalactones, are responsible for the associated hepatotoxicity. To investigate the key components responsible for the liver toxicity, bioassay-guided fractionation was carried out in this study. Kava roots, leaves, and stem peelings were extracted with methanol, and the resulting residues were subjected to partition with a different polarity of solvents (hexane, ethyl acetate, n-butanol, and water) for evaluation of their cytotoxicity on HepG2 cells based on the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay and lactate dehydrogenase and aspartate aminotransferase enzyme leakage assays. Organic solvent fractions displayed a much stronger cytotoxicity than water fractions for all parts of kava. The hexane fraction of the root exhibited stronger cytotoxic effects than fractions of root extracted with other solvents or extracts from the other parts of kava. Further investigations using bioassay-directed isolation and analysis of the hexane fraction indicated that the compound responsible for the cytotoxicity was flavokavain B. The identity of the compound was confirmed by (1)H and (13) C NMR and MS techniques.

  4. Improved Purex solvent scrubbing methods

    International Nuclear Information System (INIS)

    Mailen, J.C.; Tallent, O.K.

    1984-01-01

    Studies of hydrazine and hydroxylamine salts as solvent scrubbing agents that can be decomposed into gases are summarized. Results from testing of countercurrent scrubbers and solid sorber columns that produce lesser amounts of permanent salts are reported. The status of studies of the acid-degradation of paraffin diluent and the options for removal of long-chain organic acids is given

  5. Risk assessment for halogenated solvents

    International Nuclear Information System (INIS)

    Travis, C.C.

    1988-01-01

    A recent development in the cancer risk area is the advent of biologically based pharmacokinetic and pharmacodynamic models. These models allow for the incorporation of biological and mechanistic data into the risk assessment process. These advances will not only improve the risk assessment process for halogenated solvents but will stimulate and guide basic research in the biological area

  6. Solvent effect on polystyrene surface roughness on top of QCM sensor

    Energy Technology Data Exchange (ETDEWEB)

    Sakti, Setyawan P., E-mail: sakti@ub.ac.id; Rahmawati, Eka; Robiandi, Fadli [Advanced System and Material Technology, Laboratory of Instrumentation and Measurement Department of Physics, Brawijaya University (Indonesia)

    2016-03-11

    Quartz Crystal Microbalance (QCM) has been used as a basis for many chemical sensors and biosensor. Its sensitivity to mass change which can detect a mass change on its surface down to sub ng/cm2 is one of its interesting aspects. Another interesting feature is its ability to work in liquid environment. However, there are many aspects which influence QCM sensor properties in contact with liquid. One of the aspects is surface roughness of the matrix layer where on top of it a biological sensitive layer will be immobilized. One of matrix layers in the immobilizing biological sensitive layer was polystyrene. Polystyrene was coated on the QCM sensor by using the spin coating method. During the coating process, polystyrene was solved using non-polar solvent. It is known that the physical and chemical properties of the solvent affect a transition process from soluble polymer becoming rigid polymer layer. In this work, we show that polystyrene solved in chloroform has a higher surface roughness compare to one solved in toluene, xylene, or tetrahydrofuran. Surface roughness of the polystyrene coating were measured using a non-contact profilometer. However, we also found that there is no difference on the electrical impedance of the QCM sensor coated with polystyrene resulted from differing solvent when the sensor was in contact with air and water. Thus, all of the mentioned solvent can be used to solve the polystyrene as a coating material for QCM sensor without affecting the electrical performance of the sensor, but the choice of the solution can be used as a simple method to control the difference roughness of the polystyrene coating.

  7. Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO 2

    Energy Technology Data Exchange (ETDEWEB)

    Schaef, Herbert T.; Loganathan, Narasimhan; Bowers, Geoffrey M.; Kirkpatrick, Robert J.; Yazaydin, A. O.; Burton, Sarah D.; Hoyt, David W.; Thanthiriwatte, Sahan; Dixon, David A.; McGrail, Bernard P.; Rosso, Kevin M.; Ilton, Eugene S.; Loring, John S.

    2017-10-11

    Layered aluminosilicates play a dominant role in the mechanical and gas storage properties of the subsurface, are used in diverse industrial applications, and serve as model materials for understanding solvent-ion-support systems. Although expansion in the presence of H2O is well known to be systematically correlated with the hydration free energy of the interlayer cation, in environments dominated by non-polar solvents (i.e. CO2), uptake into the interlayer is not well-understood. Using novel high pressure capabilities, we investigated the interaction of super-critical CO2 with Na+-, NH4+-, and Cs+-saturated montmorillonite, comparing results with predictions from molecular dynamics simulations. Despite the known trend in H2O, and that cation solvation energies in CO2 suggest a stronger interaction with Na+, both the NH4+- and Cs+-clays readily absorbed CO2 and expanded while the Na+-clay did not. The apparent inertness of the Na+-clay was not due to kinetics, as experiments seeking a stable expanded state showed that none exists. Molecular dynamics simulations revealed a large endothermicity to CO2 intercalation in the Na+-clay, but little or no energy barrier for the NH4+- and Cs+-clays. Consequently, we have shown for the first time that in the presence of a low dielectric constant gas swelling depends more on the strength of the interaction between interlayer cation and aluminosilicate sheets and less on that with solvent. The finding suggests a distinct regime in layered aluminosilicates swelling behavior triggered by low solvent polarizability, with important implications in geomechanics, storage and retention of volatile gases, and across industrial uses in gelling, decoloring, heterogeneous catalysis, and semi-permeable reactive barriers.

  8. Characterization and growth mechanism of nonpolar and semipolar GaN layers grown on patterned sapphire substrates

    International Nuclear Information System (INIS)

    Okada, Narihito; Tadatomo, Kazuyuki

    2012-01-01

    Nonpolar and semipolar GaN layers with markedly improved crystalline quality can be obtained by selective-area growth from the sapphire sidewalls of patterned sapphire substrates (PSSs). In this paper, we review the crystalline qualities of GaN layers grown on PSSs and their growth mechanism. We grew semipolar {1 1 −2 2} and {1 0 −1 1} GaN layers on r- and n-PSSs. The crystalline qualities of the GaN layers grown on the PSSs were higher than those of GaN layers grown directly on heteroepitaxial substrates. To reveal the growth mechanism of GaN layers grown on PSSs, we also grew various nonpolar and semipolar GaN layers such as m-GaN on a-PSS, {1 1 −2 2} GaN on r-PSS, {1 0 − 1  1} GaN on n-PSS, m-GaN on c-PSS and a-GaN on m-PSS. It was found that the nucleation of GaN on the c-plane-like sapphire sidewall results in selective growth from the sapphire sidewall, and nonpolar or semipolar GaN can be obtained. Finally, we demonstrated a light-emitting diode fabricated on a {1 1 −2 2} GaN layer grown on an r-PSS. (paper)

  9. Polar and nonpolar organic polymer-based monolithic columns for capillary electrochromatography and high-performance liquid chromatography.

    Science.gov (United States)

    Rathnasekara, Renuka; Khadka, Shantipriya; Jonnada, Murthy; El Rassi, Ziad

    2017-01-01

    This review article is a continuation of the previous reviews on the area of monolithic columns covering the progress made in the field over the last couple of years from the beginning of the second half of 2014 until the end of the first half of 2016. It summarizes and evaluates the evolvement of both polar and nonpolar organic monolithic columns and their use in hydrophilic interaction LC and CEC and reversed-phase chromatography and RP-CEC. The review article discusses the results reported in a total of 62 references. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Non-polar InGaN quantum dot emission with crystal-axis oriented linear polarization

    Energy Technology Data Exchange (ETDEWEB)

    Reid, Benjamin P. L., E-mail: benjamin.reid@physics.ox.ac.uk; Chan, Christopher C. S.; Taylor, Robert A. [Clarendon Laboratory, Department of Physics, University of Oxford, Oxford OX1 3PU (United Kingdom); Kocher, Claudius [Department of Physics, University of Konstanz, Konstanz 78457 (Germany); Zhu, Tongtong; Oehler, Fabrice; Oliver, Rachel A. [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom)

    2015-04-27

    Polarization sensitive photoluminescence is performed on single non-polar InGaN quantum dots. The studied InGaN quantum dots are found to have linearly polarized emission with a common polarization direction defined by the [0001] crystal axis. Around half of ∼40 studied dots have a polarization degree of 1. For those lines with a polarization degree less than 1, we can resolve fine structure splittings between −800 μeV and +800 μeV, with no clear correlation between fine structure splitting and emission energy.

  11. M-CARS and EFISHG study of the influence of a static electric field on a non-polar molecule

    Science.gov (United States)

    Capitaine, E.; Louot, C.; Ould-Moussa, N.; Lefort, C.; Kaneyasu, J. F.; Kano, H.; Pagnoux, D.; Couderc, V.; Leproux, P.

    2016-03-01

    The influence of a static electric field on a non-polar molecule has been studied by means of multiplex coherent anti-Stokes Raman scattering (M-CARS). A parallel measurement of electric field induced second harmonic generation (EFISHG) has also been led. Both techniques suggest a reorientation of the molecule due to the presence of an electric field. This phenomenon can be used to increase the chemical selectivity and the signal to non-resonant background ratio, namely, the sensitivity of the M-CARS spectroscopy.

  12. The flotation of Roşia Poieni copper ore in column machine, with non-polar oils addition

    Directory of Open Access Journals (Sweden)

    Ciocani V.

    2005-11-01

    Full Text Available The most important natural resource of copper in Romania is the ore deposit of Roşia Poieni. At present, the utilization of Roşia Poieni poorphyry copper ore is possible by extraction in quarry of the mass ore and mineral processing into a technological flux with modest results for the value of metal recovery in concentrate 70-72 % and an average contents of 16,5 % Cu. Our researches were directed to studies regarding test and utilisation of special procedure of flotation – addition of the non-polar oil – applied to advanced grinding ore with column type machines.

  13. Iodine removing method in organic solvent

    International Nuclear Information System (INIS)

    Suzuki, Takeo; Sakurai, Manabu

    1988-01-01

    Purpose: To effectively remove iodine in an organic solvent to thereby remove iodine in the solvent that can be re-used or put to purning treatment. Method: Organic solvent formed from wastes of nuclear facilities is mixed with basic lead acetate, or silica gel or activated carbon incorporated with such a compound to adsorb iodine in the organic solvent to the basic lead acetate. Then, iodine in the organic solvent is removed by separating to eliminate the basic lead acetate adsorbing iodine from the organic solvent or by passing the organic solvent through a tower or column charged or pre-coated with silica gel or activated carbon incorporated with lead acetate. By using basic lead acetate as the adsorbents, iodine can effective by adsorbed and eliminated. Thus, the possibility of circumstantial release of iodine can be reduced upon reusing or burning treatment of the organic solvent. (Kamimura, M.)

  14. Computer Aided Solvent Selection and Design Framework

    DEFF Research Database (Denmark)

    Mitrofanov, Igor; Conte, Elisa; Abildskov, Jens

    and computer-aided tools and methods for property prediction and computer-aided molecular design (CAMD) principles. This framework is applicable for solvent selection and design in product design as well as process design. The first module of the framework is dedicated to the solvent selection and design...... in terms of: physical and chemical properties (solvent-pure properties); Environment, Health and Safety (EHS) characteristic (solvent-EHS properties); operational properties (solvent–solute properties). 3. Performing the search. The search step consists of two stages. The first is a generation and property...... identification of solvent candidates using special software ProCAMD and ProPred, which are the implementations of computer-aided molecular techniques. The second consists of assigning the RS-indices following the reaction–solvent and then consulting the known solvent database and identifying the set of solvents...

  15. Canyon solvent cleaning with solid adsorbents

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

    The HM Process at the Savannah River Plant (SRP) uses 7.5% tributyl phosphate in n-paraffin as an extraction solvent. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials that influence product losses, product decontamination, and separation efficiencies. Laboratory studies to improve online solvent cleaning have shown that carbonate washing, although removing residual solvent activity, does not remove binding ligands that hold fission products in the solvent. Treatment of solvent with a solid adsorbent removes binding ligands and significantly improves recycle solvent performance. Both laboratory work defining a full-scale adsorption process and the use of the process to clean HM Process first cycle solvent are presented

  16. (Liquid + liquid) equilibrium data of (water + phosphoric acid + solvents) systems at T = (308.2 and 318.2) K

    International Nuclear Information System (INIS)

    Ghanadzadeh Gilani, H.; Ghanadzadeh Gilani, A.; Shekarsaraee, S.; Uslu, H.

    2012-01-01

    Highlights: ► Phase equilibria of the (water + PA + solvents) systems were investigated. ► Experimental LLE data were correlated with NRTL and UNIQUAC models. ► Distribution coefficients and separation factors were evaluated. - Abstract: Ternary equilibrium data for the mixtures of {water + phosphoric acid + organic solvent (cyclohexane, methylcyclohexane, and toluene)} were determined at T = (308.2 and 318.2) K and atmospheric pressure. Solubility data were determined by the cloud-point titration method. In order to obtain the tie-line data, the concentration of each phase was determined by acidimetric titration, the Karl–Fischer technique, and refractive index measurements. The experimental tie-line data were correlated using the UNIQUAC and NRTL models. The reliability of the experimental data was determined through the Othmer–Tobias and Hand plots. Distribution coefficients and separation factors were evaluated over the immiscibility regions. The Katritzky LSER model was applied to correlate distribution coefficients and separation factors in these ternary systems.

  17. High molecular weight non-polar hydrocarbons as pure model substances and in motor oil samples can be ionized without fragmentation by atmospheric pressure chemical ionization mass spectrometry.

    Science.gov (United States)

    Hourani, Nadim; Kuhnert, Nikolai

    2012-10-15

    High molecular weight non-polar hydrocarbons are still difficult to detect by mass spectrometry. Although several studies have targeted this problem, lack of good self-ionization has limited the ability of mass spectrometry to examine these hydrocarbons. Failure to control ion generation in the atmospheric pressure chemical ionization (APCI) source hampers the detection of intact stable gas-phase ions of non-polar hydrocarbon in mass spectrometry. Seventeen non-volatile non-polar hydrocarbons, reported to be difficult to ionize, were examined by an optimized APCI methodology using nitrogen as the reagent gas. All these analytes were successfully ionized as abundant and intact stable [M-H](+) ions without the use of any derivatization or adduct chemistry and without significant fragmentation. Application of the method to real-life hydrocarbon mixtures like light shredder waste and car motor oil was demonstrated. Despite numerous reports to the contrary, it is possible to ionize high molecular weight non-polar hydrocarbons by APCI, omitting the use of additives. This finding represents a significant step towards extending the applicability of mass spectrometry to non-polar hydrocarbon analyses in crude oil, petrochemical products, waste or food. Copyright © 2012 John Wiley & Sons, Ltd.

  18. Synthesis of Cyclohexane-Fused Isocoumarins via Cationic Palladium(II)-Catalyzed Cascade Cyclization Reaction of Alkyne-Tethered Carbonyl Compounds Initiated by Intramolecular Oxypalladation of Ester-Substituted Aryl Alkynes.

    Science.gov (United States)

    Zhang, Jianbo; Han, Xiuling; Lu, Xiyan

    2016-04-15

    A cationic Pd(II)-catalyzed cascade cyclization reaction of alkyne-tethered carbonyl compounds was developed. This reaction is initiated by intramolecular oxypalladation of alkynes with an ester group followed by 1,2-addition of the formed C-Pd(II) bond to the carbonyl group, providing a highly efficient method for the synthesis of cyclohexane-fused isocoumarins.

  19. Antimalarial activity of the bisquinoline trans-N1,N2-bis (7- chloroquinolin-4-yl)cyclohexane-1,2-diamine: Comparison of two stereoisomers and detailed evaluation of the S,S enantiomer, Ro 47-7737

    NARCIS (Netherlands)

    Ridley, R.G.; Matile, H.; Jaquet, C.; Dorn, A.; Hofheinz, W.; Leupin, W.; Masciadri, R.; Theil, F.P.; Richter, W.F.; Girometta, M.A.; Guenzi, A.; Urwyler, H.; Gocke, E.; Potthast, J.M.; Csato, M.; Thomas, A.; Peters, W.

    1997-01-01

    The S,S enantiomer of the bisquinoline trans-N1,N2-bis(7- chloroquinolin-4-yl)cyclohexane-1,2-diamine, Ro 47-7737, is significantly more potent against chloroquine-resistant Plasmodium falciparum than the R,R enantiomer and the previously described racemate. Both the enantiomers and the racemate are

  20. Recent solvent extraction experience at Savannah River

    International Nuclear Information System (INIS)

    Gray, L.W.; Burney, G.A.; Gray, J.H.; Hodges, M.E.; Holt, D.L.; Macafee, I.M.; Reif, D.J.; Shook, H.E.

    1986-01-01

    Tributyl phosphate-based solvent extraction processes have been used at Savannah River for more than 30 years to separate and purify thorium, uranium, neptunium, plutonium, americium, and curium isotopes. This report summarizes the advancement of solvent extraction technology at Savannah River during the 1980's. Topics that are discussed include equipment improvements, solvent treatment, waste reduction, and an improved understanding of the various chemistries in the process streams entering, within, and leaving the solvent extraction processes

  1. Solvent extraction studies of RERTR silicide fuels

    International Nuclear Information System (INIS)

    Gouge, Anthony P.

    1983-01-01

    Uranium silicide fuels, which are candidate RERTR fuel compositions, may require special considerations in solvent extraction reprocessing. Since Savannah River Plant may be reprocessing RERTR fuels as early as 1985, studies have been conducted at Savannah River Laboratory to demonstrate the solvent extraction behavior of this fuel. Results of solvent extraction studies with both unirradiated and irradiated fuel are presented along with the preliminary RERTR solvent extraction reprocessing flow sheet for Savannah River Plant. (author)

  2. Optimization of co-solvent addition in supercritical fluid extraction of fat with carbon dioxide

    Directory of Open Access Journals (Sweden)

    Ivanov Dušica S.

    2011-01-01

    Full Text Available This investigation is concerned with supercritical fluid extraction (SFE using CO2, as an analytical technique for total fat extraction from food and feed samples. Its most significant advantages are safety, cleanness, and shorter extraction time. The main limitation of this technique includes the difficulty of extracting polar lipids due to the non-polar character of the solvent (CO2 used for the extraction. The influence of ethanol as a co-solvent on the SFE of mash pig feed was investigated in this paper. Total fat content was determined by SFE and Soxhlet method for ten commercially available mesh pig feeds. Yields of the fat extracted by both methods were plotted one against the other and compared. Statistically significant difference (p ≤ 0.05 has been found only between the total fat obtained by the Soxhlet extraction and SFE by pure CO2. Based on the mathematical model, maximum yield of the extracted fat is achieved at an ethanol addition of 0.67 ml/g of sample, when the other parameters are the same as recommended by the producer’s procedure.

  3. Preparation of silver colloid and enhancement of dispersion stability in organic solvent

    International Nuclear Information System (INIS)

    Kim, Ki Young; Choi, Young Tai; Seo, Dae Jong; Park, Seung Bin

    2004-01-01

    Silver colloid of nanometer size was prepared in liquid phase by a reduction method. AgNO 3 , FeSO 4 .7H 2 O, and Na 3 C 6 H 5 O 7 .2H 2 O were used as silver precursor, reducing agent and dispersing agent, respectively. As precursor concentration was decreased or the concentration of dispersing agent was increased, the prepared particle size was decreased from 180 nm to 20 nm. Apparently, the particle size seemed to be decreased with the increase of stirring rate, but it was confirmed by TEM that the size of primary particle remained the same. This result indicates that the uniformity of precursor concentration in the reactor affects the particle size and the stirring rate should be kept higher than the critical value to prevent the agglomeration of particles. In order to make the dispersion stability of the prepared silver colloid maintained even in non-polar organic solvent, electrodialysis technique was applied. As ionic species in colloidal solution were removed by electrodialysis, the dispersability of the colloid in the organic solvent of long carbon chain was confirmed to be increased

  4. Restoring solvent for nuclear separation processes

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

    Solvent extraction separation processes are used to recover usable nuclear materials from spent fuels. These processes involve the use of an extractant/diluent (solvent) for separation of the reusable actinides from unwanted fission products. The most widely used processes employ tributyl phosphate as an extractant diluted with a normal-paraffin hydrocarbon. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials that influence product losses, product decontamination, and separation efficiencies. In most processes, the solvent is recycled after cleaning. Solvent cleaning generally involves scrubbing with a sodium carbonate solution. Studies at the Savannah River Laboratory have shown that carbonate washing, although removing residual solvent activity, does not remove more solvent-soluble binding ligands (formed by solvent degradation), which hold fission products in the solvent. Treatment of the solvent with a solid adsorbent after carbonate washing removes binding ligands and significantly improves recycled solvent performance. Laboratory work to establish the advantage of adsorbent cleaning and the development of a full-scale adsorption process is described. The application of this process for cleaning the first cycle solvent of a Savannah River Plant production process is discussed

  5. Solvent Extraction of Furfural From Biomass

    Science.gov (United States)

    Humphrey, M. F.

    1984-01-01

    Solvent-extraction method reduces energy required to remove furfural produced during acid hydrolysis of biomass. Acid hydrolysis performed in vessel containing both solvents and reacting ingredients. With intimate contact between solvents and aqueous hydrolyis liqour, furfural removed form liquor almost as fast as it forms.

  6. Adaptive Resolution Simulation of MARTINI Solvents

    NARCIS (Netherlands)

    Zavadlav, Julija; Melo, Manuel N.; Cunha, Ana V.; de Vries, Alex H.; Marrink, Siewert J.; Praprotnik, Matej

    We present adaptive resolution dynamics simulations of aqueous and apolar solvents coarse-grained molecular models that are compatible with the MARTINI force field. As representatives of both classes solvents we have chosen liquid water and butane, respectively, at ambient temperature. The solvent

  7. The Solvent Selection framework: solvents for organic synthesis, separation processes and ionic-organic synthesis

    DEFF Research Database (Denmark)

    Mitrofanov, Igor; Sansonetti, Sascha; Abildskov, Jens

    2012-01-01

    This paper presents a systematic integrated framework for solvent selection and solvent design. The framework is divided into several modules, which can tackle specific problems in various solvent-based applications. In particular, three modules corresponding to the following solvent selection pr...

  8. Solvent cleaning system and method for removing contaminants from solvent used in resin recycling

    Science.gov (United States)

    Bohnert, George W [Harrisonville, MO; Hand, Thomas E [Lee's Summit, MO; DeLaurentiis, Gary M [Jamestown, CA

    2009-01-06

    A two step solvent and carbon dioxide based system that produces essentially contaminant-free synthetic resin material and which further includes a solvent cleaning system for periodically removing the contaminants from the solvent so that the solvent can be reused and the contaminants can be collected and safely discarded in an environmentally safe manner.

  9. Excited-state inter- and intramolecular proton transfer in methyl 3-hydroxy-2-quinoxalinate: effects of solvent and acid or base concentrations

    International Nuclear Information System (INIS)

    Dogra, S.K.

    2005-01-01

    Absorption, fluorescence excitation and fluorescence spectroscopy, combined with time-dependent spectroscopy and semi-empirical (AM1) and density functional theory using Gaussian 98 program calculations have been used to study the effects of solvent and acid or base concentration on the spectral characteristics of methyl 3-hydroxy-2-quinoxalinate (M3HQ). M3HQ is present as enol in less polar solvents and as keto in polar media. In non-polar solvents, large Stokes shifted fluorescence band is assigned to the phototautomer, formed by the excited-state intramolecular proton transfer, whereas fluorescence is only observed from keto in the polar solvents. In aqueous and polar solvents the monocation (MC5/MC6) is formed by protonating the carbonyl oxygen atom in the ground (S 0 ) and the first excited singlet states (S 1 ). Dication is formed by protonating one of ?N- atom of MC5/MC6. Monoanion is formed by deprotonating the phenolic proton of enol in the basic solution. pK a values for different prototropic equilibriums were determined in S 0 and S 1 states and discussed

  10. Zeolite-Y entrapped Ru(III and Fe(III complexes as heterogeneous catalysts for catalytic oxidation of cyclohexane reaction

    Directory of Open Access Journals (Sweden)

    Chetan K. Modi

    2017-02-01

    Full Text Available Catalysis is probably one of the greatest contributions of chemistry to both economic growth and environmental protection. Herein we report the catalytic behavior of zeolite-Y entrapped Ru(III and Fe(III complexes with general formulae [M(VTCH2·2H2O]+-Y and [M(VFCH2·2H2O]+-Y [where, VTCH = vanillin thiophene-2-carboxylic hydrazone and VFCH = vanillin furoic-2-carboxylic hydrazone] over the oxidation of cyclohexane forming cyclohexanone and cyclohexanol. The samples were corroborated by various physico-chemical techniques. These zeolite-Y based complexes are stable and recyclable under current reaction conditions. Amongst them, [Ru(VTCH2⋅2H2O]+-Y showed higher catalytic activity (41.1% with cyclohexanone (84.6% selectivity.

  11. A detailed kinetic study of the direct ring opening of cyclohexane and methylcyclohexane over monofunctional Ir/Al{sub 2}O{sub 3} catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Hui; Gutierrez, O.Y.; Lercher, J.A. [Technische Univ. Muenchen (Germany). Catalysis Research Center

    2011-07-01

    The present study analyses a series of Al{sub 2}O{sub 3}-supported iridium catalysts with different pretreatments and addresses the kinetic features and structural requirements of direct ring opening of cyclohexane and methylcyclohexane catalyzed by Ir in absence of acid-catalyzed ring contraction. Mild reaction conditions and high H{sub 2}/hydrocarbon ratios (200-1000) were used to improve accuracy of kinetic measurements and to negate deactivation. Isomerization and dehydrogenation pathways were suppressed to low extents (1-5%) over the weakly acidic catalysts under the reaction conditions applied. Three main observations are shown: 1) initial selectivity to ring opening products (ROPs) increases with iridium dispersion; 2) optimal H{sub 2} pressures differ not only between primary and secondary products, but also among ROPs and fragments; 3) the air-calcination step before catalyst reduction imposes a significant impact on both activity and product distribution. (orig.)

  12. Organic materials irradiated at very low temperature and at different stopping powers: examples of polyethylene and of cyclohexane molecules trapped in matrix

    International Nuclear Information System (INIS)

    Melot, M.

    2003-10-01

    This thesis concerns the formation mechanisms of defects created in organic materials during irradiation under vacuum, at very low temperature and at different electronic stopping powers. Analysis have been realised by infrared spectroscopy. The first part concerns polyethylene. Irradiating at 8 K allows to dissociate the direct irradiation effects (in cage reactions) and the radical recombination effects. According to the considered chemical groups, the radical mobility leads to very different changes for the formation radiochemical yields. The second part concerns the irradiation of cyclohexane molecules trapped in a solid argon matrix. We evaluate the contribution of intermolecular and intramolecular reactions. The intermolecular reactions have limited consequences when using low ionising radiations but are crucial for heavy ion irradiations. (author)

  13. On the interplay of point defects and Cd in non-polar ZnCdO films

    International Nuclear Information System (INIS)

    Zubiaga, A.; Reurings, F.; Tuomisto, F.; Plazaola, F.; García, J. A.; Kuznetsov, A. Yu.; Egger, W.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

    2013-01-01

    Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 10 17 cm −3 and 10 18 cm −3 , respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 μm inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional Cd Zn in the ZnO crystal.

  14. On the interplay of point defects and Cd in non-polar ZnCdO films

    Energy Technology Data Exchange (ETDEWEB)

    Zubiaga, A.; Reurings, F.; Tuomisto, F. [Department of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Espoo (Finland); Plazaola, F. [Elektrizitatea eta Elektronika/Fisika Aplikatua II Sailak, Euskal Herriko Unibertsitatea, Posta Kutxatila 644, 48080 Bilbao (Spain); Garcia, J. A. [Fisika Aplikatua II Saila, Euskal Herriko Unibertsitatea, Posta Kutxatila 644, 48080 Bilbao (Spain); Kuznetsov, A. Yu. [Department of Physics, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo (Norway); Egger, W. [Inst. fuer Angewandte Physik und Messtechnik, Univ. der Bundeswehr Muenchen, 87755 Neubiberg (Germany); Zuniga-Perez, J. [CRHEA CNRS, F-06560 Valbonne (France); Munoz-Sanjose, V. [Dept. de Fisica Aplicada i Electromagnetisme, c/ Doctor Moliner 50, E-46100 Burjassot (Valencia) (Spain)

    2013-01-14

    Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 10{sup 17} cm{sup -3} and 10{sup 18} cm{sup -3}, respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 {mu}m inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional Cd{sub Zn} in the ZnO crystal.

  15. On the interplay of point defects and Cd in non-polar ZnCdO films

    Science.gov (United States)

    Zubiaga, A.; Reurings, F.; Tuomisto, F.; Plazaola, F.; García, J. A.; Kuznetsov, A. Yu.; Egger, W.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

    2013-01-01

    Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 1017 cm-3 and 1018 cm-3, respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 μm inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional CdZn in the ZnO crystal.

  16. Insecticide solvents: interference with insecticidal action.

    Science.gov (United States)

    Brattsten, L B; Wilkinson, C F

    1977-06-10

    Several commercial solvent mixtures commonly used as insecticide carriers in spray formulations increase by more than threefold the microsomal N-demethylation of p-chloro N-methylaniline in midgut preparations of southern army-worm (Spodoptera eridania) larvae exposed orally to the test solvents. Under laboratory conditions, the same solvent mixtures exhibit a protective action against the in vivo toxicity of the insecticide carbaryl to the larvae. The data are discussed with respect to possible solvent-insecticide interactions occurring under field conditions and, more broadly, to potential toxicological hazards of these solvents to humans.

  17. Organic solvents in electromembrane extraction: recent insights

    DEFF Research Database (Denmark)

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

    2016-01-01

    the introduction. Under the influence of an electrical field, EME is based on electrokinetic migration of the analytes through a supported liquid membrane (SLM), which is an organic solvent immobilized in the pores of the polymeric membrane, and into the acceptor solution. Up to date, close to 150 research...... articles with focus on EME have been published. The current review summarizes the performance of EME with different organic solvents and discusses several criteria for efficient solvents in EME. In addition, the authors highlight their personal perspective about the most promising organic solvents for EME...... and have indicated that more fundamental work is required to investigate and discover new organic solvents for EME....

  18. One-pot synthesis of stable colloidal solutions of MFe2O4 nanoparticles using oleylamine as solvent and stabilizer

    International Nuclear Information System (INIS)

    Pérez-Mirabet, Leonardo; Solano, Eduardo; Martínez-Julián, Fernando; Guzmán, Roger; Arbiol, Jordi; Puig, Teresa; Obradors, Xavier; Pomar, Alberto; Yáñez, Ramón; Ros, Josep; Ricart, Susagna

    2013-01-01

    Highlights: ► One-pot synthesis of ferrite magnetic nanoparticles ( 3 and M(acac) 2 (M = Co, Mn, Cu and Zn) in oleylamine, which also acts as a capping ligand, by producing stable colloidal dispersions of nanoparticles in non-polar solvents. The properties of the nanoparticles have been studied via different techniques, such as transmission electron microscopy, which shows that nanoparticles are monocrystallines and a narrow dispersion in size; magnetic analyses have demonstrated that the resulting ferrite nanoparticles show high saturation values and superparamagnetic behavior at room temperature; X-ray diffraction has also been performed, and it confirms that the synthesized nanoparticles have a spinel structure. Complementarily, ligand exchange has been also carried out in order to produce dispersions of the synthesized nanoparticles in polar media

  19. Material and device studies for the development of ultra-violet light emitting diodes (UV-LEDS) along polar, non-polar and semi-polar directions

    Science.gov (United States)

    Chandrasekaran, Ramya

    Over the past few years, significant effort was dedicated to the development of ultraviolet light emitting diodes (UV-LEDs) for a variety of applications. Such applications include chemical and biological detection, water purification and solid-state lighting. III-Nitride LEDs based on multiple quantum wells (MQWs) grown along the conventional [0001] (polar) direction suffer from the quantum confined Stark effect (QCSE), due to the existence of strong electric fields that arise from spontaneous and piezoelectric polarization. Thus, there is strong motivation to develop MQW-based III-nitride LED structures grown along non-polar and semi-polar directions. The goal of this dissertation is to develop UV-LEDs along the [0001] polar and [11 2¯ 0] non-polar directions by the method of Molecular Beam Epitaxy (MBE). The polar and non-polar LEDs were grown on the C-plane and R-plane sapphire substrates respectively. This work is a combination of materials science studies related to the nucleation, growth and n- and p-type doping of III-nitride films on these two substrates, as well as device studies related to fabrication and characterization of UV-LEDs. It was observed that the crystallographic orientation of the III-nitride films grown on R-plane sapphire depends strongly on the kinetic conditions of growth of the Aluminum Nitride (AIN) buffer. Specifically, growth of the AIN buffer under group III-rich conditions leads to nitride films having the (11 2¯ 0) non polar planes parallel to the sapphire surface, while growth of the buffer under nitrogen rich conditions leads to nitride films with the (11 2¯ 6) semi-polar planes parallel to the sapphire surface. The electron concentration and mobility for the films grown along the polar, non-polar and semi-polar directions were investigated. P-type doping of Gallium Nitride (GaN) films grown on the nonpolar (11 2¯ 0) plane do not suffer from polarity inversion and thus the material was doped p-type with a hole concentration

  20. Response behavior of an epoxy resin/amine curing agent/carbon black composite film to various solvents

    Energy Technology Data Exchange (ETDEWEB)

    Luo Yanling [School of Chemistry and Materials Science, Shaanxi Normal University, Xi' an 710062 (China)]. E-mail: luoyl0401@yahoo.com.cn; Li Zhanqing [School of Chemistry and Materials Science, Shaanxi Normal University, Xi' an 710062 (China); Lan Wenxiang [School of Chemistry and Materials Science, Shaanxi Normal University, Xi' an 710062 (China)

    2007-04-25

    A novel polymer based sensitive film was prepared from thermosetting epoxy resins (EP) filled with carbon blacks. The curing reaction of amine curing agents with epoxy resins and the response of the curing resultants to solvent vapors were dealt with. The influence of the types and content of carbon blacks and curing agents, and curing temperatures and time on curing reactions and response selectivity of the conductive films were investigated. The structural characterization was conducted on a Fourier transform infrared spectrophotometer (FTIR). The results indicated that the conductive films showed high response selectivity to polar solvent vapors, especially to chloroform vapor, while no response was observed in non-polar solvent vapors. The responsivity of the film increased with the decreased carbon black contents. The film filled with acetylene carbon black gave an optimal response, with responsivity of about 700 times. The response performances were improved with the amount of curing agents increased, and an optimal response appeared at the amount of the curing agent of 8%. The film's responsivity was remarkably enhanced, the reversibility property, however, rapidly declined in the order of diethyleneltriamine < triethylenetetramine < ethylenediamine. The curing reaction tended to complete with the curing temperature elevated and the curing time prolonged. But the response performance dropped because of over cross-linking as the temperature was too high or the time was too long.

  1. Response behavior of an epoxy resin/amine curing agent/carbon black composite film to various solvents

    International Nuclear Information System (INIS)

    Luo Yanling; Li Zhanqing; Lan Wenxiang

    2007-01-01

    A novel polymer based sensitive film was prepared from thermosetting epoxy resins (EP) filled with carbon blacks. The curing reaction of amine curing agents with epoxy resins and the response of the curing resultants to solvent vapors were dealt with. The influence of the types and content of carbon blacks and curing agents, and curing temperatures and time on curing reactions and response selectivity of the conductive films were investigated. The structural characterization was conducted on a Fourier transform infrared spectrophotometer (FTIR). The results indicated that the conductive films showed high response selectivity to polar solvent vapors, especially to chloroform vapor, while no response was observed in non-polar solvent vapors. The responsivity of the film increased with the decreased carbon black contents. The film filled with acetylene carbon black gave an optimal response, with responsivity of about 700 times. The response performances were improved with the amount of curing agents increased, and an optimal response appeared at the amount of the curing agent of 8%. The film's responsivity was remarkably enhanced, the reversibility property, however, rapidly declined in the order of diethyleneltriamine < triethylenetetramine < ethylenediamine. The curing reaction tended to complete with the curing temperature elevated and the curing time prolonged. But the response performance dropped because of over cross-linking as the temperature was too high or the time was too long

  2. Surface tension of a coal extract in an organic solvent; Sekitan chushutsu seibun no kaigo to hyomen choryoku

    Energy Technology Data Exchange (ETDEWEB)

    Kikuchi, T.; Hayasaka, K.; Takanohashi, T.; Iino, M. [Tohoku University, Sendai (Japan). Institute for Chemical Reaction Science

    1996-10-28

    The behavior and properties of associated bodies were studied through measurement of surface tension considering acetone-soluble fraction relatively light among various solvent extracts of coal. In experiment, the acetone-soluble fraction was extracted from the substances extracted from Upper Freeport coal as standard specimen using the mixed solvent of carbon disulfide (CS2) and N-methyl-2-pyrrolidinone (NMP), and it was dissolved into NMP after drying. Surface tension was measured by Wilhelmy method. The experimental results are as follows. Equilibrium surface tension is equal to the surface tension of pure solvent in a low concentration range of solution, and decreases with an increase in concentration approaching a fixed value at 0 in log concentration, nearly showing an S curve. Adsorption of species with non-polar aromatic ring of the acetone-soluble fraction on a solution surface probably decreases surface tension. Change with time in surface tension is observed which suggests fast initial reaction and slow subsequent reaction. 4 figs.

  3. Residual solvent determination by head space gas chromatography with flame ionization detector in omeprazole API

    Directory of Open Access Journals (Sweden)

    Saurabh Pandey

    2011-06-01

    Full Text Available Residual solvents in pharmaceutical samples are monitored using gas chromatography with head space. Based on good manufacturing practices, measuring residual solvents is mandatory for the release testing of all active pharmaceutical ingredients (API. The analysis of residual organic solvents (methanol, acetone, cyclohexane, dichloromethane, toluene in Omeprazole, an active pharmaceutical ingredient was investigated. Omeprazole is a potent reversible inhibitor of the gastric proton pump H+/K+-ATPase. The Head space gas chromatography (HSGC method described in this investigation utilized a SPB TM-624, Supelco, 30 m long x 0.25 mm internal diameter, 1.4µm-thick column. Since Omeprazole is a thermally labile compound, the selection of the proper injector temperature is critical to the success of the analysis. The injector temperature was set at 170ºC to prevent degradation. The initial oven temperature was set at 40ºC for 12 min and programmed at a rate of 10ºC min-1 to a final temperature of 220ºC for 5 min. Nitrogen was used as a carrier gas. The sample solvent selected was N,N-dimethylacetamide. The method was validated to be specific, linear, precise, sensitive, rugged and showed excellent recovery.Solventes residuais em amostras farmacêuticas são monitoradas utilizando-se cromatografia a gás "headspace". Com base nas boas práticas de fabricação, a medida de solventes residuais é obrigatória para o teste de liberação de todos os ingredientes farmacêuticos (API. Efetuou-se a análise de solventes orgânicos residuais (metanol, acetona, cicloexano, diclorometano, tolueno em omeprazol, ingrediente farmacêutico ativo. O omeprazol é potente inibidor reversível da bomba de prótons H+/K+-ATPase. A cromatografia a gás "headspace" (HSGC descrita nessa pesquisa utilizou um SPB TM-624, Supelco, de 30 m de comprimento x 0,25 mm de diâmetro interno, e coluna de 1,4 µm de espessura. Considerando-se que o omeprazol é termicamente l

  4. Advanced integrated solvent extraction systems

    Energy Technology Data Exchange (ETDEWEB)

    Horwitz, E.P.; Dietz, M.L.; Leonard, R.A. [Argonne National Lab., IL (United States)

    1997-10-01

    Advanced integrated solvent extraction systems are a series of novel solvent extraction (SX) processes that will remove and recover all of the major radioisotopes from acidic-dissolved sludge or other acidic high-level wastes. The major focus of this effort during the last 2 years has been the development of a combined cesium-strontium extraction/recovery process, the Combined CSEX-SREX Process. The Combined CSEX-SREX Process relies on a mixture of a strontium-selective macrocyclic polyether and a novel cesium-selective extractant based on dibenzo 18-crown-6. The process offers several potential advantages over possible alternatives in a chemical processing scheme for high-level waste treatment. First, if the process is applied as the first step in chemical pretreatment, the radiation level for all subsequent processing steps (e.g., transuranic extraction/recovery, or TRUEX) will be significantly reduced. Thus, less costly shielding would be required. The second advantage of the Combined CSEX-SREX Process is that the recovered Cs-Sr fraction is non-transuranic, and therefore will decay to low-level waste after only a few hundred years. Finally, combining individual processes into a single process will reduce the amount of equipment required to pretreat the waste and therefore reduce the size and cost of the waste processing facility. In an ongoing collaboration with Lockheed Martin Idaho Technology Company (LMITCO), the authors have successfully tested various segments of the Advanced Integrated Solvent Extraction Systems. Eichrom Industries, Inc. (Darien, IL) synthesizes and markets the Sr extractant and can supply the Cs extractant on a limited basis. Plans are under way to perform a test of the Combined CSEX-SREX Process with real waste at LMITCO in the near future.

  5. Use of polar and nonpolar fractions as additional information sources for studying thermoxidized virgin olive oils by FTIR

    Directory of Open Access Journals (Sweden)

    Tena, N.

    2014-09-01

    Full Text Available Fourier transform infrared (FTIR spectroscopy has been proposed to study the degradation of virgin olive oils (VOO in samples undergoing thermoxidation. The polar and nonpolar fractions of oxidized oils have been analyzed by FTIR to provide further information on the minor spectral changes taking place during thermoxidation. This information assists in the interpretation of the spectra of the samples. For this purpose polar and nonpolar fractions of 47 VOO samples thermoxidized (190 °C in a fryer were analyzed by FTIR. The time-course change of the band area assigned to single cis double bonds was explained by their correlation with the decrease in oleic acid (adjusted-R2=0.93. The bands assigned to the hydroxyl groups and the first overtone of ester groups was better studied in the spectra collected for the polar and nonpolar fractions, respectively. The bands assigned to peroxide, epoxy, tertiary alcohols and fatty acids were clearly observed in the spectra of the polar fraction while they are not noticeable in the spectra of the oils.La espectroscopía de infrarrojos por transformada de Fourier (FTIR se ha propuesto para estudiar la degradación de los aceites de oliva vírgenes (AOV sujetas a termoxidación. Las fracciones polares y no polares de aceites oxidados se analizaron mediante FTIR para obtener más información sobre los cambios espectrales menores que tienen lugar durante la termoxidación. Esa información ayuda en la interpretación de los espectros de las muestras puras. Con este objetivo, fracciones polares y no polares de 47 AOV termoxidados (190 °C en una freidora se analizaron mediante FTIR. La banda asignada a dobles enlaces cis se explica por su correlación con la disminución de ácido oleico (R2-ajustado=0,93. Las bandas asignadas a los grupos hidroxilos y del primer sobretono de los grupos éster se estudió mejor en los espectros recogidos para la fracción polar y no polar, respectivamente. Grupos asignados a per

  6. Ellipsometry-based combination of isothermal sorption-desorption measurement and temperature programmed desorption technique: A probe for interaction of thin polymer films with solvent vapor

    Science.gov (United States)

    Efremov, Mikhail Yu.; Nealey, Paul F.

    2018-05-01

    An environmental chamber equipped with an in situ spectroscopic ellipsometer, programmatic vapor pressure control, and variable temperature substrate holder has been designed for studying polymer coating behavior during an exposure to a solvent vapor and also for probing the residual solvent in the film afterwards. Both sorption-desorption cycle at a constant temperature and temperature programmed desorption (TPD) of the residual solvent manifest themselves as a change of the film thickness. Monitoring of ellipsometric angles of the coating allows us to determine the thickness as a function of the vapor pressure or sample temperature. The solvent vapor pressure is precisely regulated by a computer-controlled pneumatics. TPD spectra are recorded during heating of the film in an oil-free vacuum. The vapor pressure control system is described in detail. The system has been tested on 6-170 nm thick polystyrene, poly(methyl methacrylate), and poly(2-vinyl pyridine) films deposited on silicon substrates. Liquid toluene, water, ethanol, isopropanol, cyclohexane, 1,2-dichloroethane, and chlorobenzene were used to create a vapor atmosphere. Typical sorption-desorption and TPD curves are shown. The instrument achieves sub-monolayer sensitivity for adsorption studies on flat surfaces. Polymer-solvent vapor systems with strong interaction demonstrate characteristic absorption-desorption hysteresis spanning from vacuum to the glass transition pressure. Features on the TPD curves can be classified as either glass transition related film contraction or low temperature broad contraction peak. Typical absorption-desorption and TPD dependencies recorded for the 6 nm thick polystyrene film demonstrate the possibility to apply the presented technique for probing size effects in extremely thin coatings.

  7. Creating Two-Dimensional Electron Gas in Nonpolar/Nonpolar Oxide Interface via Polarization Discontinuity: First-Principles Analysis of CaZrO3/SrTiO3 Heterostructure.

    Science.gov (United States)

    Nazir, Safdar; Cheng, Jianli; Yang, Kesong

    2016-01-13

    We studied strain-induced polarization and resulting conductivity in the nonpolar/nonpolar CaZrO3/SrTiO3 (CZO/STO) heterostructure (HS) system by means of first-principles electronic structure calculations. By modeling four types of CZO/STO HS-based slab systems, i.e., TiO2/CaO and SrO/ZrO2 interface models with CaO and ZrO2 surface terminations in each model separately, we found that the lattice-mismatch-induced compressive strain leads to a strong polarization in the CZO film and that as the CZO film thickness increases there exists an insulator-to-metal transition. The polarization direction and critical thickness of the CZO film for forming interfacial metallic states depend on the surface termination of CZO film in both types of interface models. In the TiO2/CaO and SrO/ZrO2 interface models with CaO surface termination, the strong polarization drives the charge transfer from the CZO film to the first few TiO2 layers in the STO substrate, leading to the formation of two-dimensional electron gas (2DEG) at the interface. In the HS models with ZrO2 surface termination, two polarization domains with opposite directions are in the CZO film, which results in the charge transfer from the middle CZO layer to the interface and surface, respectively, leading to the coexistence of the 2DEG on the interface and the two-dimensional hole gas (2DHG) at the middle CZO layer. These findings open a new avenue to achieve 2DEG (2DHG) in perovskite-based HS systems via polarization discontinuity.

  8. Theory of polyelectrolytes in solvents.

    Science.gov (United States)

    Chitanvis, Shirish M

    2003-12-01

    Using a continuum description, we account for fluctuations in the ionic solvent surrounding a Gaussian, charged chain and derive an effective short-ranged potential between the charges on the chain. This potential is repulsive at short separations and attractive at longer distances. The chemical potential can be derived from this potential. When the chemical potential is positive, it leads to a meltlike state. For a vanishingly low concentration of segments, this state exhibits scaling behavior for long chains. The Flory exponent characterizing the radius of gyration for long chains is calculated to be approximately 0.63, close to the classical value obtained for second order phase transitions. For short chains, the radius of gyration varies linearly with N, the chain length, and is sensitive to the parameters in the interaction potential. The linear dependence on the chain length N indicates a stiff behavior. The chemical potential associated with this interaction changes sign, when the screening length in the ionic solvent exceeds a critical value. This leads to condensation when the chemical potential is negative. In this state, it is shown using the mean-field approximation that spherical and toroidal condensed shapes can be obtained. The thickness of the toroidal polyelectrolyte is studied as a function of the parameters of the model, such as the ionic screening length. The predictions of this theory should be amenable to experimental verification.

  9. Chemical aspects of radiation damage processes: radiolysis

    International Nuclear Information System (INIS)

    Asmus, K.D.

    1975-01-01

    The formation of primary species and radiation chemical yields are discussed. In a section on chemical scavenging of primary species the author considers scavenging kinetics and competition reactions and gives a brief outline of some experimental methods. The radiation chemistry of aqueous solutions is discussed as an example for polar solvents. Cyclohexane is used as an example for non-polar solvents. The importance of excited states and energy transfer is considered. Reactions in the solid state are discussed and results on linear energy transfer and average ion pair formation for various kinds of radiation are surveyed. (B.R.H.)

  10. Critical thickness for the formation of misfit dislocations originating from prismatic slip in semipolar and nonpolar III-nitride heterostructures

    KAUST Repository

    Smirnov, A. M.

    2016-01-20

    We calculate the critical thickness for misfit dislocation (MD) formation in lattice mismatched semipolar and nonpolar III-nitride wurtzite semiconductor layers for the case of MDs originated from prismatic slip (PSMDs). It has been shown that there is a switch of stress relaxation modes from generation of basal slip originated MDs to PSMDs after the angle between c-axis in wurtzite crystal structure and the direction of semipolar growth reaches a particular value, e.g., ∼70° for Al0.13Ga0.87N/GaN (h0h̄ 1) semipolar heterostructures. This means that for some semipolar growth orientations of III-nitride heterostructures biaxial relaxation of misfit stress can be realized. The results of modeling are compared to experimental data on the onset of plastic relaxation in AlxGa1−xN/GaN heterostructures.

  11. Basal-plane stacking faults in non-polar GaN studied by off-axis electron holography

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Lewis Z-Y; Rao, D V Sridhara; Kappers, M J; Humphreys, C J [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge, CB2 3QZ (United Kingdom); Geiger, D, E-mail: ZL249@cam.ac.u [Triebenberg Laboratory, Institute for Structure Physics, Technische Universitaet Dresden, D-01062 Dresden (Germany)

    2010-02-01

    We have studied basal-plane stacking faults in a non-polar (11-20) GaN epilayer using high-resolution electron microscopy and off-axis electron holography. The microstructure of the basal-plane stacking faults (BSFs) has been determined to be I{sub 1} type from high-resolution TEM images. High-resolution holograms along the [11-20] zone axis were obtained by off-axis electron holography on a Cs-corrected TEM, providing {approx}2 A spatial resolution in the reconstructed amplitude and phase images. Phase fluctuations across the stacking faults were detected, suggesting the presence of a built-in electric field. The uncertainties in the experiments and their interpretation are discussed.

  12. Measuring polarization dependent dispersion of non-polarizing beam splitter cubes with spectrally resolved white light interferometry

    Science.gov (United States)

    Csonti, K.; Hanyecz, V.; Mészáros, G.; Kovács, A. P.

    2017-06-01

    In this work we have measured the group-delay dispersion of an empty Michelson interferometer for s- and p-polarized light beams applying two different non-polarizing beam splitter cubes. The interference pattern appearing at the output of the interferometer was resolved with two different spectrometers. It was found that the group-delay dispersion of the empty interferometer depended on the polarization directions in case of both beam splitter cubes. The results were checked by inserting a glass plate in the sample arm of the interferometer and similar difference was obtained for the two polarization directions. These results show that to reach high precision, linearly polarized white light beam should be used and the residual dispersion of the empty interferometer should be measured at both polarization directions.

  13. Effect of asymmetrical transfer coefficients of a non-polarizing beam splitter on the nonlinear error of the polarization interferometer

    Science.gov (United States)

    Zhao, Chen-Guang; Tan, Jiu-Bin; Liu, Tao

    2010-09-01

    The mechanism of a non-polarizing beam splitter (NPBS) with asymmetrical transfer coefficients causing the rotation of polarization direction is explained in principle, and the measurement nonlinear error caused by NPBS is analyzed based on Jones matrix theory. Theoretical calculations show that the nonlinear error changes periodically, and the error period and peak values increase with the deviation between transmissivities of p-polarization and s-polarization states. When the transmissivity of p-polarization is 53% and that of s-polarization is 48%, the maximum error reaches 2.7 nm. The imperfection of NPBS is one of the main error sources in simultaneous phase-shifting polarization interferometer, and its influence can not be neglected in the nanoscale ultra-precision measurement.

  14. Sustainable development of gree solvent separation process

    OpenAIRE

    Lisickov, Kiril; Fidancevska, Emilija; Grujic, Radoslav; Srebrenkoska, Vineta; Kuvendziev, Stefan

    2011-01-01

    Solvents defi ne a major part of the environmental performance of processes in the chemical industry and impact on cost, safety and health issues. The idea of green solvents expresses the goal to minimize the environmental impact resulting from the use of solvents in chemical production. In spite of conventional separation methods, precise process green technologies are based on the application of modern processes and process equipment as well as control and management...

  15. Supercritical solvent extraction of oil sand bitumen

    Science.gov (United States)

    Imanbayev, Ye. I.; Ongarbayev, Ye. K.; Tileuberdi, Ye.; Mansurov, Z. A.; Golovko, A. K.; Rudyk, S.

    2017-08-01

    The supercritical solvent extraction of bitumen from oil sand studied with organic solvents. The experiments were performed in autoclave reactor at temperature above 255 °C and pressure 29 atm with stirring for 6 h. The reaction resulted in the formation of coke products with mineral part of oil sands. The remaining products separated into SARA fractions. The properties of the obtained products were studied. The supercritical solvent extraction significantly upgraded extracted natural bitumen.

  16. Canyon solvent cleaning with activated alumina

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

    This paper presents recent work at SRL concerning the cleaning of solvent extraction solvent used at SRP. The paper explains why we undertook the work, and some laboratory studies on two approaches to solvent cleaning, namely extended carbonate washing and use of solid adsorbents. The paper then discusses scale-up of the preferred method and the results of the full-scale cleaning. 19 figs

  17. Study of excess carrier dynamics in polar, semi-polar, and non-polar (In,Ga)N epilayers and QWs

    Energy Technology Data Exchange (ETDEWEB)

    Aleksiejunas, R. [Institute of Applied Research, Vilnius University, Sauletekio Ave. 9-III, 10222 Vilnius (Lithuania); Laser Research Center, Vilnius University, Sauletekio Ave. 10, 10222 Vilnius (Lithuania); Lubys, L.; Jarasiunas, K. [Institute of Applied Research, Vilnius University, Sauletekio Ave. 9-III, 10222 Vilnius (Lithuania); Vengris, M. [Laser Research Center, Vilnius University, Sauletekio Ave. 10, 10222 Vilnius (Lithuania); Wernicke, T.; Hoffmann, V.; Netzel, C.; Knauer, A.; Weyers, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Str. 4, 12498 Berlin (Germany); Kneissl, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Str. 4, 12498 Berlin (Germany); Institute of Solid State Physics, Technische Universitaet Berlin, Hardenbergstr. 36, 10623 Berlin (Germany)

    2011-07-15

    We studied carrier recombination and diffusion in GaN/sapphire templates, (In,Ga)N layers, and (In,Ga)N quantum well structures oriented along the polar [0001], semi-polar [11-22], and non-polar [11-20] orientations by means of light induced transient grating, differential transmission, and photoluminescence optical techniques. We show that the lifetime of excess carriers drops by orders of magnitude when changing the orientation from polar to non-polar, both in GaN templates and (In,Ga)N layers. We attribute the shorter lifetime to carrier trapping by extended structural defects that are more abundant in non-polar grown samples. In addition, we observe pronounced carrier localization effects in the semi- and non-polar layers. We show that thick (In,Ga)N layers inherit the properties of the GaN templates. However, the thin quantum well structures show a lower carrier trapping activity. So, a better electrical quality can be assumed as compared to the thick (In,Ga)N layers. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Determination of inorganic arsenic in algae using bromine halogenation and on-line nonpolar solid phase extraction followed by hydride generation atomic flourescence spectrometry

    Science.gov (United States)

    Accurate, stable and fast analysis of toxic inorganic arsenic (iAs) in complicated and arsenosugar-rich algae matrix is always a challenge. Herein, a novel analytical method for iAs in algae was reported, using bromine halogenation and on-line nonpolar solid phase extraction (SPE) followed by hydrid...

  19. Ab initio density functional theory study of non-polar (10-10), (11-20) and semipolar {20-21} GaN surfaces

    Czech Academy of Sciences Publication Activity Database

    Mutombo, Pingo; Romanyuk, Olexandr

    2014-01-01

    Roč. 115, č. 20 (2014), "203508-1"-"203508-5" ISSN 0021-8979 Grant - others:AVČR(CZ) M100101201 Institutional support: RVO:68378271 Keywords : non-polar GaN * semipolar GaN * surface reconstructions * DFT Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.183, year: 2014

  20. An on-line normal-phase high performance liquid chromatography method for the rapid detection of radical scavengers in non-polar food matrixes

    NARCIS (Netherlands)

    Zhang, Q.; Klift, van der E.J.C.; Janssen, H.G.; Beek, van T.A.

    2009-01-01

    An on-line method for the rapid pinpointing of radical scavengers in non-polar mixtures like vegetable oils was developed. To avoid problems with dissolving the sample, normal-phase chromatography on bare silica gel was used with mixtures of hexane and methyl tert-butyl ether as the eluent. The high

  1. Process for hydrogenating coal and coal solvents

    Energy Technology Data Exchange (ETDEWEB)

    Shridharani, K.G.; Tarrer, A.R.

    1983-02-15

    A novel process is described for the hydrogenation of coal by the hydrogenation of a solvent for the coal in which the hydrogenation of the coal solvent is conducted in the presence of a solvent hydrogenation catalyst of increased activity, wherein the hydrogenation catalyst is produced by reacting ferric oxide with hydrogen sulfide at a temperature range of 260/sup 0/ C to 315/sup 0/ C in an inert atmosphere to produce an iron sulfide hydrogenation catalyst for the solvent. Optimally, the reaction temperature is 275/sup 0/ C. Alternately, the reaction can be conducted in a hydrogen atmosphere at 350/sup 0/ C.

  2. Process for hydrogenating coal and coal solvents

    Science.gov (United States)

    Tarrer, Arthur R.; Shridharani, Ketan G.

    1983-01-01

    A novel process is described for the hydrogenation of coal by the hydrogenation of a solvent for the coal in which the hydrogenation of the coal solvent is conducted in the presence of a solvent hydrogenation catalyst of increased activity, wherein the hydrogenation catalyst is produced by reacting ferric oxide with hydrogen sulfide at a temperature range of 260.degree. C. to 315.degree. C. in an inert atmosphere to produce an iron sulfide hydrogenation catalyst for the solvent. Optimally, the reaction temperature is 275.degree. C. Alternately, the reaction can be conducted in a hydrogen atmosphere at 350.degree. C.

  3. Aminosilicone solvent recovery methods and systems

    Science.gov (United States)

    Spiry, Irina Pavlovna; Perry, Robert James; Wood, Benjamin Rue; Singh, Surinder Prabhjot; Farnum, Rachel Lizabeth; Genovese, Sarah Elizabeth

    2018-02-13

    The present invention is directed to aminosilicone solvent recovery methods and systems. The methods and systems disclosed herein may be used to recover aminosilicone solvent from a carbon dioxide containing vapor stream, for example, a vapor stream that leaves an aminosilicone solvent desorber apparatus. The methods and systems of the invention utilize a first condensation process at a temperature from about 80.degree. C. to about 150.degree. C. and a second condensation process at a temperature from about 5.degree. C. to about 75.degree. C. The first condensation process yields recovered aminosilicone solvent. The second condensation process yields water.

  4. Molecular Thermodynamic Modeling of Mixed Solvent Solubility

    DEFF Research Database (Denmark)

    Ellegaard, Martin Dela; Abildskov, Jens; O’Connell, John P.

    2010-01-01

    A method based on statistical mechanical fluctuation solution theory for composition derivatives of activity coefficients is employed for estimating dilute solubilities of 11 solid pharmaceutical solutes in nearly 70 mixed aqueous and nonaqueous solvent systems. The solvent mixtures range from...... nearly ideal to strongly nonideal. The database covers a temperature range from 293 to 323 K. Comparisons with available data and other existing solubility methods show that the method successfully describes a variety of observed mixed solvent solubility behaviors using solute−solvent parameters from...

  5. In Vitro Toxicological Evaluation of Cigarette Smoke Particulate Matter: Effect of Dimethyl Sulfoxide (DMSO as Solvent

    Directory of Open Access Journals (Sweden)

    Misra M

    2014-12-01

    Full Text Available This study examined the potential to minimize the cytotoxic or genotoxic effects that dimethylsulfoxide (DMSO, when used as solvent, has on the in vitro interleukin-8 (IL-8 release, mammalian cell cytotoxicity and micronuclei formation, and bacterial mutagenesis induced by cigarette smoke wet total particulate matter (WTPM. The use of DMSO as a solvent vehicle for test articles of limited water solubility is widely applied in in vitro assays due to its moderate toxicity to test organisms and its excellent solvent properties for both polar and non-polar compounds, such as WTPM. A significant DMSO dose-dependent depletion in the IL-8 release was observed, with or without the addition of WTPM, at concentrations spanning those typically employed in in vitro assays. DMSO at 3.6% reduced cell viability 40-50%. Overall, DMSO at final concentrations of 0.5% and 4.0% resulted in about 50% and 90% depletion of final IL-8 levels, respectively. DMSO-induced cytotoxicity was evident only at concentrations of 1.5% or more, a concentration higher than that typically employed in such testing. The WTPM-induced cytotoxicity was equivalent at low ranges of DMSO concentrations. DMSO concentrations of 3.6% or higher resulted in an increase of cytotoxicity by 20-25%. DMSO alone did not give rise to bacterial mutagenicity at doses from 0% to 3.9%; however, WTPM exposure with increasing levels of DMSO resulted in increased toxicity of the WTPM at doses of DMSO greater than 6.9%, as indicated by lower revertant counts. This effect suggests that for Ames assay analysis of WTPM collected in DMSO, the level of DMSO should be minimized to prevent lower revertant counts due to DMSO-induced toxicity. DMSO alone gave a dose-dependent increase in the background micronuclei percentage, with a statistically significant increase at 4%. In the presence of WTPM, DMSO at 3% concentration resulted in a significantly higher micro-nucleus frequency, suggesting a possible clastogenic

  6. Solvent anode for plutonium purification

    International Nuclear Information System (INIS)

    Bowersox, D.F.; Fife, K.W.; Christensen, D.C.

    1986-01-01

    The purpose of this study is to develop a technique to allow complete oxidation of plutonium from the anode during plutonium electrorefining. This will eliminate the generation of a ''spent'' anode heel which requires further treatment for recovery. Our approach is to employ a solvent metal in the anode to provide a liquid anode pool throughout electrorefining. We use molten salts and metals in ceramic crucibles at 700 0 C. Our goal is to produce plutonium metal at 99.9% purity with oxidation and transfer of more than 98% of the impure plutonium feed metal from the anode into the salt and product phases. We have met these criteria in experiments on the 100 to 1000 g scale. We plan to scale our operations to 4 kg of feed plutonium and to optimize the process parameters

  7. Quantitation of buried contamination by use of solvents. [degradation of silicone polymers by amine solvents

    Science.gov (United States)

    Pappas, S. P.; Hsiao, Y. C.; Hill, L. W.

    1973-01-01

    Spore recovery form cured silicone potting compounds using amine solvents to degrade the cured polymers was investigated. A complete list of solvents and a description of the effect of each on two different silicone polymers is provided.

  8. Cleanup of 7.5% tributyl phosphate/n-paraffin solvent-extraction solvent

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-02-01

    The HM process at the Savannah River Plant uses 7.5% tributyl phosphate in n-paraffin as an extraction solvent. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials which influence product losses, product decontamination, and separation efficiencies. Laboratory studies to improve online solvent cleaning have shown that carbonate washing, although removing residual solvent activity, does not remove binding ligands which hold fission products in the solvent. Treatment of solvent by an alumina adsorption process removes binding ligands and significantly improves recycle solvent performance. Both laboratory work defining a full-scale alumina adsorption process and the use of the process to clean HM process first cycle solvent is discussed

  9. Implicit solvent simulations of DNA and DNA-protein complexes: Agreement with explicit solvent vs experiment

    Czech Academy of Sciences Publication Activity Database

    Chocholoušová, Jana; Feig, M.

    2006-01-01

    Roč. 110, č. 34 (2006), s. 17240-17251 ISSN 1520-6106 Keywords : implicit solvent * explicit solvent * protein DNA complex Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.115, year: 2006

  10. Growth and characterization of nonpolar (10-10) ZnO transparent conductive oxide on semipolar (11–22) GaN-based light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Ki-Wook; Choi, Nak-Jung [Department of Nano-Optical Engineering, Korea Polytechnic University, Siheung, Gyeonggi-do, 429-839 (Korea, Republic of); Kim, Kyoung-Bo [Department of Metallurgical and Materials Engineering, Inha Technical College, Incheon, 402-752 (Korea, Republic of); Kim, Moojin [Department of Renewable Energy, Jungwon University, 85, Munmu-ro, Goesan-eup, Goesan-gun, Chungbuk, 367-805 (Korea, Republic of); Lee, Sung-Nam, E-mail: snlee@kpu.ac.kr [Department of Nano-Optical Engineering, Korea Polytechnic University, Siheung, Gyeonggi-do, 429-839 (Korea, Republic of)

    2016-05-05

    We have grown thin films of nonpolar m-plane (10-10) ZnO on a semipolar (11–22) GaN template by atomic layer deposition (ALD) at low growth temperatures (<200 °C). The surface morphology of the ZnO film is found to be an arrowhead-like structure, which is a typical surface structure of the semipolar (11–22) GaN films. On increasing the growth temperature of the ZnO films, the concentration and mobility of the charge carriers in the ZnO film are increased. However, the optical transmittance decreases with an increase in the growth temperature. Based on these results, we have fabricated semipolar (11–22) GaN-based light-emitting diodes (LEDs) with nonpolar m-plane ZnO film as a transparent conductive oxide (TCO) to improve the light extraction efficiency. In spite of a decrease in the optical transmittance, the operation voltage of semipolar (11–22) GaN-based LEDs is found to decrease with an increase in the growth temperature, which might be due to the improvements in the electrical properties and current spreading effect, resulting in an increase in the optical output power. - Highlights: • Polarity control of ZnO film grown in m-/c-sapphire and semipolar GaN template. • Achievement of high quality nonpolar m-plane ZnO flims on semipolar (11–22) GaN template. • The simultaneous improvements of carrier concentration and mobility in the nonpolar ZnO TCO flims. • Nonpolar ZnO TCO increases current spreading length and light output power of semipolar GaN-LED.

  11. Influence of Nonpolar Substances on the Extraction Efficiency of Six Alkaloids in Zoagumhwan Investigated by Ultra Performance Liquid Chromatography and Photodiode Array Detection

    Directory of Open Access Journals (Sweden)

    Shijing Liu

    2012-11-01

    Full Text Available A reverse phase ultra performance liquid chromatography and photodiode array (UPLC-PDA detection method was established for the determination of six alkaloids in Zoagumhwan (ZGW, and further for investigating the influence of nonpolar substances on the extraction efficiency of these alkaloids. The method was based on a BEH C18 (50 mm × 2.1 mm, 1.7 μm column and mobile phase of aqueous phosphoric acid and acetonitrile including 0.05% buffer solution under gradient elution. ZGW samples of ZGW I, II, III and IV were obtained and prepared by pre-processing the crude materials of Coptidis rhizoma and Evodiae fructus using four technologies, namely direct water decoction, removal of nonpolar substances in Evodiae fructus by supercritical fluid extraction (SFE, removal of nonpolar substances in ZGW by SFE and removal of nonpolar substances in ZGW by steam distillation. The developed and validated UPLC-PDA method was precise, accurate and sensitive enough based on the facts that the six alkaloids showed good regression (r > 0.9998, the limit of detections and quantifications for six alkaloids were less than 28.8 and 94.5 ng/mL, respectively, and the recovery was in the range of 98.56%–103.24%. The sequence of the total contents of six alkaloids in these samples was ZGW II > ZGW IV > ZGW III > ZGW I. ZGW II, in which nonpolar substances, including essential oils, were firstly removed from Evodiae fructus by SFE, had the highest content of the total alkaloids, indicating that extraction efficiency of the total alkaloids could be remarkably increased after Evodiae fructus being extracted by SFE.

  12. Densities, isobaric thermal compressibilities and derived thermodynamic properties of the binary systems of cyclohexane with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate at t = (298.15 and 308.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Wisniak, Jaime [Department of Chemical Engineering, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)]. E-mail: wisniak@bgumail.bgu.ac.il; Peralta, Rene D. [Centro de Investigacion en Quimica Aplicada, Saltillo 25100, Coahuila (Mexico); Infante, Ramiro [Centro de Investigacion en Quimica Aplicada, Saltillo 25100, Coahuila (Mexico); Cortez, Gladis [Centro de Investigacion en Quimica Aplicada, Saltillo 25100, Coahuila (Mexico); Lopez, R.G. [Centro de Investigacion en Quimica Aplicada, Saltillo 25100, Coahuila (Mexico)

    2005-10-15

    Densities of the binary systems of cyclohexane with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate have been measured as a function of the composition, at 298.15 and 308.15 K and atmospheric pressure, using an Anton Paar DMA 5000 oscillating U-tube densimeter. The calculated excess molar volumes were correlated with the Redlich-Kister equation and with a series of Legendre polynomials. The excess molar volumes are positive for the four binaries studied. Within the short temperature range considered here the coefficient of thermal expansion is positive for all the systems studied; it varies only slightly with the nature of the acrylate except for the system cyclohexane + vinyl acetate.

  13. Sorption of nonpolar aromatic contaminants by chlorosilane surface modified natural minerals.

    Science.gov (United States)

    Huttenloch, P; Roehl, K E; Czurda, K

    2001-11-01

    The efficacy of the surface modification of natural diatomite and zeolite material by chlorosilanes is demonstrated. Chlorosilanes used were trimethylchlorosilane (TMSCI), tert-butyldimethylchlorosilane (TBDMSCI), dimethyloctadecylchlorosilane (DMODSCI), and diphenyldichlorosilane (DPDSCI) possessing different headgroups and chemical properties. Silanol groups of the diatomite and zeolite were modified by chemical reaction with the chlorosilanes resulting in a stable covalent attachment of the organosilanes to the mineral surface. The alteration of surface properties of the modified material was proved by measurements of water adsorption capacity, total organic carbon (TOC) content, and thermoanalytical data. The surface modified material showed great stability even when exposed to extremes in ionic strength, pH, and to pure organic solvents. Sorption of toluene, o-xylene, and naphthalene from water was greatly enhanced by the surface modification compared to the untreated materials which showed no measurable sorption of these compounds. The enhanced sorption was dependent on the organic carbon content as well as on chemical characteristics of the chlorosilanes used. Batch sorption experiments showed that the phenyl headgroups of DPDSCI have the best affinity for aromatic compounds. Removal from an aqueous solution of 10 mg/L of naphthalene, o-xylene, and toluene was 71%, 60%, and 30% for surface modified diatomite and 51%, 30%, and 16% for modified clinoptilolite, respectively. Sorption data were well described by the Freundlich isotherm equation, which indicated physical adsorption onto the lipophilic surface rather than partitioning into the surface organic phase. The chlorosilane modified materials have an apparent potential for application in environmental technologies such as permeable reactive barriers (PRB) or wastewater treatment.

  14. Solvent-vapor-assisted imprint lithography

    NARCIS (Netherlands)

    Voicu, Nicoleta E.; Ludwigs, Sabine; Crossland, Edward J. W.; Andrew, Piers; Steiner, Ullrich

    2007-01-01

    Sub-micrometer features are replicated into high-molecular-weight polymer resists by using solvent-assisted nanoimprint lithography (see figure). By swelling the polymer in a controlled solvent-vapor atmosphere, millibar pressures and ambient temperatures are sufficient to achieve high-fidelity

  15. Into the depths of deep eutectic solvents

    NARCIS (Netherlands)

    Rodriguez, N.; Alves da Rocha, M.A.; Kroon, M.C.

    2015-01-01

    Ionic liquids (ILs) have been successfully tested in a wide range of applications; however, their high price and complicated synthesis make them infeasible for large scale implementation. A decade ago, a new generation of solvents so called deep eutectic solvents (DESs) was reported for the first

  16. Remediation of Contaminated Soils by Solvent Flushing

    NARCIS (Netherlands)

    Augustijn, Dionysius C.M.; Jessup, Ron E.; Rao, P. Suresh C.; Wood, A. Lynn

    1994-01-01

    Solvent flushing is a potential technique for remediating a waste disposal/spill site contaminated with organic chemicals. This technique involves the injection of a solvent mixture (e.g., water plus alcohols) that enhances contaminant solubility, reduces the retardation factor, and increases the

  17. Structuring of polymer solutions upon solvent evaporation

    NARCIS (Netherlands)

    Schaefer, C.; van der Schoot, P.|info:eu-repo/dai/nl/102140618; Michels, J. J.

    2015-01-01

    The morphology of solution-cast, phase-separated polymers becomes finer with increasing solvent evaporation rate. We address this observation theoretically for a model polymer where demixing is induced by steady solvent evaporation. In contrast to what is the case for a classical, thermal quench

  18. Organic materials irradiated at very low temperature and at different stopping powers: examples of polyethylene and of cyclohexane molecules trapped in matrix; Materiaux organiques irradies a tres basse temperature et a differents pouvoirs d'arret: cas du polyethylene et des molecules de cyclohexane isolees en matrice

    Energy Technology Data Exchange (ETDEWEB)

    Melot, M

    2003-10-15

    This thesis concerns the formation mechanisms of defects created in organic materials during irradiation under vacuum, at very low temperature and at different electronic stopping powers. Analysis have been realised by infrared spectroscopy. The first part concerns polyethylene. Irradiating at 8 K allows to dissociate the direct irradiation effects (in cage reactions) and the radical recombination effects. According to the considered chemical groups, the radical mobility leads to very different changes for the formation radiochemical yields. The second part concerns the irradiation of cyclohexane molecules trapped in a solid argon matrix. We evaluate the contribution of intermolecular and intramolecular reactions. The intermolecular reactions have limited consequences when using low ionising radiations but are crucial for heavy ion irradiations. (author)

  19. Solvent distillations studies for a reprocessing plant

    International Nuclear Information System (INIS)

    Ginisty, C.; Guillaume, B.

    1989-01-01

    The substantial amounts of solvent used in large reprocessing plants are such that considerable care must be paid to solvent management to limit the production of organic wastes. The installation of intensive treatment by chemical regeneration serves to increase the service life of the solvent. General solvent management, combined with a distillation unit under reduced pressure also helps to recycle the two components of the solvent at a low activity level. Distillation also serves to remove the heavy degradation products that are generally responsible for poor hydraulic behavior and for the holdup of radioactive products such as plutonium, zirconium and ruthenium. From the safety standpoint, the flashpoint of the distilled diluent tends to rise. It can therefore be recycled without risk

  20. Method of decomposing radioactive organic solvent wastes

    International Nuclear Information System (INIS)

    Uki, Kazuo; Ichihashi, Toshio; Hasegawa, Akira; Sato, Tatsuaki

    1986-01-01

    Purpose: To decompose radioactive organic solvent wastes or radioactive hydrocarbon solvents separated therefrom into organic materials under moderate conditions, as well as greatly decrease the amount of secondary wastes generated. Method: Radioactive organic solvent wastes comprising an organic phosphoric acid ester ingredient and a hydrocarbon ingredient as a diluent therefor, or radioactive hydrocarbon solvents separated therefrom are oxidatively decomposed by hydrogen peroxide in an aqueous phosphoric acid solution of phosphoric acid metal salts finally into organic materials to perform decomposing treatment for the radioactive organic solvent wastes. The decomposing reaction is carried out under relatively moderate conditions and cause less burden to facilities or the likes. Further, since the decomposed liquid after the treatment can be reused for the decomposing reaction as a catalyst solution secondary wastes can significantly be decreased. (Yoshihara, H.)

  1. Cyclohexane/benzene organic glasses and ethylene/styrene copolymers behaviour under ionizing radiations: energy and species transfers between aliphatic and aromatic moieties

    International Nuclear Information System (INIS)

    Ferry, M.

    2008-11-01

    The aim of this study is to understand how aliphatic and aromatic groups interact under ionizing radiations. Three research orientations were explored: the determination of the relative contribution of energy and radical transfers, the determination of the intermolecular and intra-chain relative contribution, and the influence of the repartition of the aliphatic and aromatic units inside the polymer chain. Three systems composed of aromatic and aliphatic units were studied: the cyclohexane/benzene organic glasses (intermolecular reactions), the ethylene/styrene random copolymers (inter-chain and intra-chain reactions) and ethylene/styrene di-blocs copolymers (influence of the repartition of the aliphatic and aromatic units in the material). Considering the results obtained, we have concluded that energy transfers are important in the radiation protection effect of the aliphatic moiety by the aromatic one, although radical transfers are also contributing. Intermolecular transfers are efficient in the solid state and their efficiency seems equivalent to that of the intra-chain ones. Thanks to the use of infrared spectroscopy, we have shown an important effect of radiation sensitization of the aromatic moiety, whatever the irradiation temperature and the system studied: energy transfers to the aromatic moiety are carried out at the detriment of its stability. Finally, the repartition of the aliphatic and aromatic units in the polymer chain is not an important factor in the effects induced by the energy transfers. (author)

  2. Molecular Interactions in 1,4-Dioxane, Tetrahydrofuran, and Ethyl Acetate Solutions of 1,1'-Bis(4-isopropyloxyacetylphenoxy)cyclohexane on Reological, Density, and Acoustic Behavior

    Science.gov (United States)

    Dhaduk, B. B.; Patel, Ch. B.; Parsania, P. H.

    2017-12-01

    Various thermo-acoustical parameters of 1,4-dioxane, tetrahydofuran and ethylacetae solutions of 1,1'-bis(4-isopropyloxyacetylphenoxy)cyclohexane were determined at different temperatures using density, viscosity and ultrasonic speed and correlated with concentration. Linear increase of ultrasonic speed, specific acoustical impedance, Rao's molar sound function, Van der Waals constant and free volume with concentration C and decreased with temperature. Linear decrease of adiabatic compressibility, internal pressure, intermolecular free path length, classical absorption coefficient, and viscous relaxation time with concentration and increased with temperature indicated existence of strong molecular interactions in solutions and further supported by positive values of solvation number. Gibbs free energy of activation decreased with C in all three systems. It is decreased with T in 1,4-dioxane, while increased in tetrahydrofuran and ethyl acetate. Both enthalpy of activation and entropy of activation are increased gradually with C in 1,4-dioxane, while they are negative and remained practically independent of concentration in 1,4-dioxane and tetrahydofuran systems.

  3. Development of a certified reference material for calibration of DSC and DTA below room temperature: NMIJ CRM 5401-a, Cyclohexane for Thermal Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, Yoshitaka, E-mail: y-shimizu@aist.go.jp; Ohte, Yoko; Kato, Kenji

    2013-09-20

    Highlights: • We developed a new CRM for quality assurance of DSC and DTA below room temperature. • Certified values are temperatures and enthalpies of two phase transitions. • Certified values agree with literature values. • Certified values are determined by adiabatic calorimetry and traceable to the SI. • Purity of this CRM was confirmed more than 0.9999. - Abstract: For the quality assurance of performance of differential scanning calorimeters (DSC) and differential thermal analyzers (DTA) below room temperature, we have developed “NMIJ CRM 5401-a, Cyclohexane for Thermal Analysis” applicable to calibration of DSC and DTA in the low temperature. Adiabatic calorimetry was used to measure the temperatures and enthalpies of solid–solid phase transition and fusion as certified values, and to determine the purity in amount of substance fraction as information. The certified values are consistent with their corresponding literature values within expanded uncertainties and have traceability to the SI. Purity in amount of substance fraction was measured by fractional melting method based on freezing point depression method and was confirmed to be more than 0.9999. NMIJ CRM 5401-a was produced based on a quality system in compliance with ISO Guide 34: 2000. We demonstrate the usefulness of NMIJ CRM 5401-a in the calibration, quality control, and validation aspects of DSC and DTA.

  4. Chemical interaction and adhesion characteristics at the interface of metals (Cu, Ta) and low-k cyclohexane-based plasma polymer (CHexPP) films

    International Nuclear Information System (INIS)

    Kim, K.J.; Kim, K.S.; Lee, N.-E.; Choi, J.; Jung, D.

    2001-01-01

    Chemical interaction and adhesion characteristics between metals (Cu, Ta) and low-k plasma-treated cyclohexane-based plasma polymer (CHexPP) films were studied. In order to generate new functional groups that may contribute to the improvement of adhesion between metal and plasma polymer, we performed O 2 , N 2 , and H 2 /He mixture plasma treatment on the surfaces of CHexPP films. Chemical interactions at the interface between metals (Cu, Ta) and plasma-treated CHexPP films were analyzed by x-ray photoelectron spectroscopy. The effect of plasma treatment and thermal annealing on the adhesion characteristics was measured by a tape test and scratch test. The formation of new binding states on the surface of plasma-treated CHexPP films improved adhesion characteristics between metals and CHexPP films. Thermal annealing improves the adhesion property of Cu/CHexPP films, but degrades the adhesion property of Ta/CHexPP films

  5. Micro-reactor for heterogeneous catalysis. Application: hydrogen production from methyl-cyclohexane; Microreacteur pour la catalyse heterogene. Application: production d'hydrogene a partir du methylcyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Roumanie, M.; Pijolat, C. [Ecole des Mines de Saint Etienne, Centre SPIN (DMICC/LPMG/URA/CNRS-D2021), 42 - Saint Etienne (France); Meille, V.; Bellefon, C. de [Centre National de la Recherche Scientifique (CNRS/CPE), Lab. de Genie des Procedes Catalytiques, 69 - Villeurbanne (France); Pouteau, P.; Delattre, C. [CEA Grenoble, Lab. d' Electronique et de Technologie de l' Informatique (LETI), 38 (France)

    2004-07-01

    First developed by the pharmaceutical industry to find new drugs (combinatorial analysis), the lab on chip is also extremely interesting for the catalysis field. This major interest comes from the miniaturize size and the high surface on volume ratio which lead to improve mass and heat transfer but also the safety in regards of industrial application. The use of micro-technology and the miniaturization of various systems such as micro-fuel cell is also a current field of activity. So for the future research the production of hydrogen is a point to develop in order to supply a micro-fuel cell. The aim of this work is to study and to realize an autonomous catalytic micro-reactor for hydrogen production from methyl-cyclohexane. For this reaction of dehydrogenation, the common catalyst is platinum supported on alumina. Consequently, the general objectives of this work are: 1)to develop a micro-reactor with its heaters, sensors...2)to deposit catalysts in the micro-reactor 3)to study the catalytic conversion of this system.

  6. Polar and Nonpolar Gallium Nitride and Zinc Oxide based thin film heterostructures Integrated with Sapphire and Silicon

    Science.gov (United States)

    Gupta, Pranav

    This dissertation work explores the understanding of the relaxation and integration of polar and non-polar of GaN and ZnO thin films with Sapphire and silicon substrates. Strain management and epitaxial analysis has been performed on wurtzitic GaN(0001) thin films grown on c-Sapphire and wurtzitic non-polar a-plane GaN(11-20) thin films grown on r-plane Sapphire (10-12) by remote plasma atomic nitrogen source assisted UHV Pulsed Laser Deposition process. It has been established that high-quality 2-dimensional c-axis GaN(0001) nucleation layers can be grown on c-Sapphire by PLD process at growth temperatures as low as ˜650°C. Whereas the c-axis GaN on c-sapphire has biaxially negative misfit, the crystalline anisotropy of the a-plane GaN films on r-Sapphire results in compressive and tensile misfits in the two major orthogonal directions. The measured strains have been analyzed in detail by X-ray, Raman spectroscopy and TEM. Strain relaxation in GaN(0001)/Sapphire thin film heterostructure has been explained by the principle of domain matched epitaxial growth in large planar misfit system and has been demonstrated by TEM study. An attempt has been made to qualitatively understand the minimization of free energy of the system from the strain perspective. Analysis has been presented to quantify the strain components responsible for the compressive strain observed in the GaN(0001) thin films on c-axis Sapphire substrates. It was also observed that gallium rich deposition conditions in PLD process lead to smoother nucleation layers because of higher ad-atom mobility of gallium. We demonstrate near strain relaxed epitaxial (0001) GaN thin films grown on (111) Si substrates using TiN as intermediate buffer layer by remote nitrogen plasma assisted UHV pulsed laser deposition (PLD). Because of large misfits between the TiN/GaN and TiN/Si systems the TIN buffer layer growth occurs via nucleation of interfacial dislocations under domain matching epitaxy paradigm. X-ray and

  7. The chemistry of nonaqueous solvents v.4 solution phenomena and aprotic solvents

    CERN Document Server

    Lagowski, J J

    1976-01-01

    The Chemistry of Nonaqueous Solvents, Volume IV: Solution Phenomena and Aprotic Solvents focuses on the chemistry of nonaqueous solvents, with emphasis on solution phenomena and aprotic solvents such as tetramethylurea, inorganic acid chlorides, cyclic carbonates, and sulfolane. This book is organized into seven chapters and begins with an overview of the theory of electrical conductivity and elementary experimental considerations, along with some of the interesting research on nonaqueous solvents. It then turns to a discussion on hydrogen bonding phenomena in nonaqueous systems as probed

  8. PARIS II: Computer Aided Solvent Design for Pollution Prevention

    Science.gov (United States)

    This product is a summary of U.S. EPA researchers' work developing the solvent substitution software tool PARIS II (Program for Assisting the Replacement of Industrial Solvents, version 2.0). PARIS II finds less toxic solvents or solvent mixtures to replace more toxic solvents co...

  9. Distribution of multi-component solvents in solvent vapor extraction chamber

    Energy Technology Data Exchange (ETDEWEB)

    Das, S. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Marathon Oil Corp., Houston, TX (United States)

    2008-10-15

    Vapex process performance is sensitive to operating pressures, temperatures and the types of solvent used. The hydrocarbon solvents used in Vapex processes typically have between 5 and 10 per cent hydrocarbon impurities, and the accumulation of dense phases inside the vapor chamber reduces gravity drainage potential. This study investigated the partitioning of solvent compounds inside the vapor chamber during in situ Vapex processes.The aim of the study was to examine how the different components of the mixed solvent partitioned inside the extracted chamber during the oil and vapor phase. A 2-D homogenous reservoir model was used to simulate the Vapex process with a solvent mixture comprised of propane and methane at various percentages. The effect of injecting a hot solvent vapor was also investigated. The study showed that injected methane accumulated at both the top and the extraction interface. Accumulations near the top had a positive impact on solvent confinement in thin reservoirs. Diffusion of the solvent component was controlled by gas phase molecular diffusion, and was much faster than the diffusion of solvent molecules in the liquid phase. The use of hot solvent mixtures slowed the extraction process due to lower solvent solubility in the oil phase. It was concluded that the negative impact on viscosity reduction by dilution was not compensated by rises in temperature. 6 refs., 11 figs.

  10. Purification and characterization of an extracellular halophilic and organic solvent-tolerant amylopullulanase from a haloarchaeon, Halorubrum sp. strain Ha25.

    Directory of Open Access Journals (Sweden)

    Mostafa Fazeli

    2013-01-01

    Full Text Available Introduction: Halophiles, especially haloarchaea are one of the most important groups of extremophiles. Halophilic hydrolases have been studied worldwide and have been considered for biotechnology and industrial technologies. This study is the first report in amylopullulanase production in halophilic microorganisms.Materials and methods: A halophilic archaeon, Halorubrum sp. strain Ha25, produced extracellular halophilic organic solvent-tolerant amylopullulanase. The enzyme was purified using ethanol precipitation and anion exchange chromatography method. Molecular mass of purified enzyme was determined by SDS–PAGE method. After purification, the enzyme was characterized. To study the effects of organic solvents in the stability of the enzyme, the enzyme solution was incubated in the presence of various organic compounds and then, residual enzyme activity was measured. Mode of action of the enzyme was determined by thin-layer chromatography.Results: Molecular weight of the purified enzyme was estimated to be 140 kDa by SDS–PAGE method. Optimum temperature for amylolitic and pullulytic activities was 50 °C. Optimum pH for amylolitic activity was 7.0 and for pullulytic activity was 7.5. This enzyme was active over a wide range of concentrations (0-4.5 M of NaCl. The effect of organic solvents on the amylolitic and pullulytic activities showed that this enzyme was more stable in the presence of non-polar organic solvents than polar solvents. The enzyme solely hydrolyzed pullulan and soluble starch to glucose.Discussion and conclusion: Halorubrum sp. strain Ha25 produces thermophilic and extremely halophilic amylopullulanase. The catalytic function under multi extreme condition of high temperature, high salinity, and low water activity might possess biotechnological and commercial values such as treatment waste solutions with starch residues, high salt content and solvents.

  11. Reverse micelles in organic solvents: a medium for the biotechnological use of extreme halophilic enzymes at low salt concentration

    Directory of Open Access Journals (Sweden)

    Frutos C. Marhuenda-Egea

    2002-01-01

    Full Text Available Alkaline p-nitrophenylphosphate phosphatase (pNPPase from the halophilic archaeobacterium Halobacterium salinarum (previously halobium was solubilized at low salt concentration in reverse micelles of hexadecyltrimethylammoniumbromide in cyclohexane with 1-butanol as cosurfactant. The enzyme maintained its catalytic properties under these conditions. The thermodynamic “solvation–stabilization hypothesis” has been used to explain the bell-shaped dependence of pNPPase activity on the water content of reverse micelles, in terms of protein–solvent interactions. According to this model, the stability of the folded protein depends on a network of hydrated ions associated with acidic residues at the protein surface. At low salt concentration and low water content (the ratio of water concentration to surfactant concentration; w0, the network of hydrated ions within the reverse micelles may involve the cationic heads of the surfactant. The bell-shaped profile of the relationship between enzyme activity and w0 varied depending on the concentrations of NaCl and Mn2+.

  12. Nuclear magnetic resonance study of charge transfer complex formation between Silver Nitrate and Benzylcyanide in Solvent Ethylene Glycol

    International Nuclear Information System (INIS)

    Modarress, H.; Shekaari, H.

    2003-01-01

    The formation constant for charge transfer complexes between electron acceptor (AgNo 3 ) and electron donor benzylcyanide (C 6 H 5 -CH 2 -C≡N) in solvent ethyleneglycol [(CH 2 OH) 2 ] has been evaluated by using the nuclear magnetic resonance chemical shifts of aromatic group of benzylcyanide measured against external references, tetramethylsilane, hexamethyldisilane and cyclohexane at 20 d ig C . The external referencing procedure eliminated the interference of internal reference in the course of complexation. The necessary bulk magnetic susceptibility corrections on the measured chemical shifts have been made. The solution nationalised and their effects on the formation constant have been considered and a new equation has been suggested to obtain the main ionic activity coefficient of AgNO 3 from nuclear magnetic resonance results. The mean ionic activity coefficient has been taken into account in the formation constant calculations. The results indicated that the appropriate formation constant should be expressed in terms of activities. Also an equation have been derived to eliminate the undesirable effects on the nuclear magnetic resonance measured chemical shifts in calculating the constant. The selection of concentration domains and its effect on the calculated formation constant has been discussed and the new equation is modified to be independent of the concentration domains. In this equation the solution nationalised, by considering coefficients, have been taken in to account

  13. Organic Solvent Tolerant Lipases and Applications

    Directory of Open Access Journals (Sweden)

    Shivika Sharma

    2014-01-01

    Full Text Available Lipases are a group of enzymes naturally endowed with the property of performing reactions in aqueous as well as organic solvents. The esterification reactions using lipase(s could be performed in water-restricted organic media as organic solvent(s not only improve(s the solubility of substrate and reactant in reaction mixture but also permit(s the reaction in the reverse direction, and often it is easy to recover the product in organic phase in two-phase equilibrium systems. The use of organic solvent tolerant lipase in organic media has exhibited many advantages: increased activity and stability, regiospecificity and stereoselectivity, higher solubility of substrate, ease of products recovery, and ability to shift the reaction equilibrium toward synthetic direction. Therefore the search for organic solvent tolerant enzymes has been an extensive area of research. A variety of fatty acid esters are now being produced commercially using immobilized lipase in nonaqueous solvents. This review describes the organic tolerance and industrial application of lipases. The main emphasis is to study the nature of organic solvent tolerant lipases. Also, the potential industrial applications that make lipases the biocatalysts of choice for the present and future have been presented.

  14. One-pot synthesis of stable colloidal solutions of MFe{sub 2}O{sub 4} nanoparticles using oleylamine as solvent and stabilizer

    Energy Technology Data Exchange (ETDEWEB)

    Pérez-Mirabet, Leonardo [Departament de Química, Universitat Autònoma de Barcelona, Campus de la UAB, 08193 Bellaterra (Spain); Solano, Eduardo, E-mail: eduardo.solano@uab.cat [Departament de Química, Universitat Autònoma de Barcelona, Campus de la UAB, 08193 Bellaterra (Spain); Martínez-Julián, Fernando; Guzmán, Roger [Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus de la UAB, 08193 Bellaterra (Spain); Arbiol, Jordi [Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus de la UAB, 08193 Bellaterra (Spain); Institució Catalana de Recerca i Estudis Avançats (ICREA), 08019 Barcelona (Spain); Puig, Teresa; Obradors, Xavier; Pomar, Alberto [Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus de la UAB, 08193 Bellaterra (Spain); Yáñez, Ramón; Ros, Josep [Departament de Química, Universitat Autònoma de Barcelona, Campus de la UAB, 08193 Bellaterra (Spain); Ricart, Susagna [Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus de la UAB, 08193 Bellaterra (Spain)

    2013-03-15

    Highlights: ► One-pot synthesis of ferrite magnetic nanoparticles (<10 nm) in non-polar media. ► Nanoparticles present high monocrystal quality and monodispersion. ► Superparamagnetic behavior at room temperature. ► Nanoparticles transfer to polar media via ligand exchange. - Abstract: An easy, efficient, reproducible and scalable one-pot synthetic methodology to obtain magnetic spinel ferrite nanoparticles has been developed. This approach is based on one-pot thermal decomposition of Fe(acac){sub 3} and M(acac){sub 2} (M = Co, Mn, Cu and Zn) in oleylamine, which also acts as a capping ligand, by producing stable colloidal dispersions of nanoparticles in non-polar solvents. The properties of the nanoparticles have been studied via different techniques, such as transmission electron microscopy, which shows that nanoparticles are monocrystallines and a narrow dispersion in size; magnetic analyses have demonstrated that the resulting ferrite nanoparticles show high saturation values and superparamagnetic behavior at room temperature; X-ray diffraction has also been performed, and it confirms that the synthesized nanoparticles have a spinel structure. Complementarily, ligand exchange has been also carried out in order to produce dispersions of the synthesized nanoparticles in polar media.

  15. NMR investigation and theoretical calculations of the solvent effect on the conformation of valsartan

    Science.gov (United States)

    Chashmniam, Saeed; Tafazzoli, Mohsen

    2017-11-01

    Structure and conformational properties of valsartan were studied by advanced NMR techniques and quantum calculation methods. Potential energy scanning using B3LYP/6-311++g** and B3LYP-D3/6-311++g** methods were performed and four conformers (V1-V4) at minimum points of PES diagram were observed. According to the NMR spectra in acetone-d6, there are two conformers (M and m) with m/M = 0.52 ratio simultaneously and energy barriers of the two conformers were predicted from chemical shifts and multiplicities. While, intramolecular hydrogen bond at tetrazole ring and carboxylic groups prevent the free rotation on N6sbnd C11 bond in M-conformer, this bond rotates freely in m-conformer. On the other hand, intramolecular hydrogen bond at carbonyl and carboxylic acid can be observed at m-conformer. So, different intramolecular hydrogen bond is the reason for the stability of both M and m structures. Quite interestingly, 1H NMR spectra in CDCl3 show two distinct conformers (N and n) with unequal ratio which are differ from M-m conformers. Also, intramolecular hydrogen bond seven-member ring involving five-membered tetrazole ring and carboxylic acid group observed in both N and n-conformers Solvent effect, by using a set of polar and non-polar solvents including DMSO-d6, methanol-d4, benzene-d6, THF-d8, nitromethane-d3, methylene chloride-d2 and acetonitrile-d3 were investigated. NMR parameters include chemical shifts and spin-spin coupling constants were obtained from a set of 2D NMR spectra (H-H COSY, HMQC and HMBC). For this purpose, several DFT functionals from LDA, GGA and hybrid categories were used which the hybrid method showed better agreement with experiment values.

  16. Theoretical study of chain transfer to solvent reactions of alkyl acrylates.

    Science.gov (United States)

    Moghadam, Nazanin; Srinivasan, Sriraj; Grady, Michael C; Rappe, Andrew M; Soroush, Masoud

    2014-07-24

    This computational and theoretical study deals with chain transfer to solvent (CTS) reactions of methyl acrylate (MA), ethyl acrylate (EA), and n-butyl acrylate (n-BA) self-initiated homopolymerization in solvents such as butanol (polar, protic), methyl ethyl ketone (MEK) (polar, aprotic), and p-xylene (nonpolar). The results indicate that abstraction of a hydrogen atom from the methylene group next to the oxygen atom in n-butanol, from the methylene group in MEK, and from a methyl group in p-xylene by a live polymer chain are the most likely mechanisms of CTS reactions in MA, EA, and n-BA. Energy barriers and molecular geometries of reactants, products, and transition states are predicted. The sensitivity of the predictions to three hybrid functionals (B3LYP, X3LYP, and M06-2X) and three different basis sets (6-31G(d,p), 6-311G(d), and 6-311G(d,p)) is investigated. Among n-butanol, sec-butanol, and tert-butanol, tert-butanol has the highest CTS energy barrier and the lowest rate constant. Although the application of the conductor-like screening model (COSMO) does not affect the predicted CTS kinetic parameter values, the application of the polarizable continuum model (PCM) results in higher CTS energy barriers. This increase in the predicted CTS energy barriers is larger for butanol and MEK than for p-xylene. The higher rate constants of chain transfer to n-butanol reactions compared to those of chain transfer to MEK and p-xylene reactions suggest the higher CTS reactivity of n-butanol.

  17. Membrane curvature, lipid segregation, and structural transitions for phospholipids under dual-solvent stress

    International Nuclear Information System (INIS)

    Rand, R.P.; Fuller, N.L.; Gruner, S.M.; Parsegian, V.A.

    1990-01-01

    Amphiphiles respond both to polar and to nonpolar solvents. In this paper X-ray diffraction and osmotic stress have been used to examine the phase behavior, the structural dimensions, and the work of deforming the monolayer-lined aqueous cavities formed by mixtures of dioleoylphosphatidylethanolamine (DOPE) and dioleoylphosphatidylcholine (DOPC) as a function of the concentration of two solvents, water and tetradecane (td). In the absence of td, most PE/PC mixtures show only lamellar phases in excess water; all of these become single reverse hexagonal (H II ) phases with addition of excess td. The spontaneous radius of curvature R 0 of lipid monolayers, as expressed in these H II phases, is allowed by the relief of hydrocarbon chain stress by td; R 0 increases with the ratio DOPC/DOPE. Single H II phases stressed by limited water or td show several responses. (a) the molecular area is compressed at the polar end of the molecule and expanded at the hydrocarbon ends. (b) For circularly symmetrical water cylinders, the degrees of hydrocarbon chain splaying and polar group compression are different for molecules aligned in different directions around the water cylinder. (c) A pivotal position exists along the length of the phospholipid molecule where little area change occurs as the monolayer is bent to increasing curvatures. (d) By defining R 0 at the pivotal position, the authors find that measured energies are well fit by a quadratic bending energy. (e) For lipid mixtures, enforced deviation of the H II monolayer from R 0 is sufficiently powerful to cause demixing of the phospholipids in a way suggesting that the DOPE/DOPC ratio self-adjusts so that its R 0 matches the amount of td or water available, i.e., that curvature energy is minimized

  18. Solvent Handbook Database System user's manual

    International Nuclear Information System (INIS)

    1993-03-01

    Industrial solvents and cleaners are used in maintenance facilities to remove wax, grease, oil, carbon, machining fluids, solder fluxes, mold release, and various other contaminants from parts, and to prepare the surface of various metals. However, because of growing environmental and worker-safety concerns, government regulations have already excluded the use of some chemicals and have restricted the use of halogenated hydrocarbons because they affect the ozone layer and may cause cancer. The Solvent Handbook Database System lets you view information on solvents and cleaners, including test results on cleaning performance, air emissions, recycling and recovery, corrosion, and non-metals compatibility. Company and product safety information is also available

  19. Modeling of Salt Solubilities in Mixed Solvents

    DEFF Research Database (Denmark)

    Chiavone-Filho, O.; Rasmussen, Peter

    2000-01-01

    A method to correlate and predict salt solubilities in mixed solvents using a UNIQUAC+Debye-Huckel model is developed. The UNIQUAC equation is applied in a form with temperature-dependent parameters. The Debye-Huckel model is extended to mixed solvents by properly evaluating the dielectric...... constants and the liquid densities of the solvent media. To normalize the activity coefficients, the symmetric convention is adopted. Thermochemical properties of the salt are used to estimate the solubility product. It is shown that the proposed procedure can describe with good accuracy a series of salt...

  20. Solvent extraction in the nuclear fuel cycle

    International Nuclear Information System (INIS)

    Eccles, H.; Naylor, A.

    1987-01-01

    Solvent extraction techniques have been used in the uranium nuclear fuel cycle in three main areas; concentration of uranium from ore leach liquor, purification of ore concentrates and fuel reprocessing. Solvent extraction has been extended to the removal of transuranic elements from active waste liquor, the recovery of uranium from natural sources and the recovery of noble metals from active waste liquor. Schemes are presented for solvent extraction of uranium using the Amex or Dapex process; spent fuel reprocessing and the Purex process. Recent and future developments of the techniques are outlined. (UK)

  1. Chemical reactions in solvents and melts

    CERN Document Server

    Charlot, G

    1969-01-01

    Chemical Reactions in Solvents and Melts discusses the use of organic and inorganic compounds as well as of melts as solvents. This book examines the applications in organic and inorganic chemistry as well as in electrochemistry. Organized into two parts encompassing 15 chapters, this book begins with an overview of the general properties and the different types of reactions, including acid-base reactions, complex formation reactions, and oxidation-reduction reactions. This text then describes the properties of inert and active solvents. Other chapters consider the proton transfer reactions in

  2. Spreadsheet algorithm for stagewise solvent extraction

    International Nuclear Information System (INIS)

    Leonard, R.A.; Regalbuto, M.C.

    1994-01-01

    The material balance and equilibrium equations for solvent extraction processes have been combined with computer spreadsheets in a new way so that models for very complex multicomponent multistage operations can be setup and used easily. A part of the novelty is the way in which the problem is organized in the spreadsheet. In addition, to facilitate spreadsheet setup, a new calculational procedure has been developed. The resulting Spreadsheet Algorithm for Stagewise Solvent Extraction (SASSE) can be used with either IBM or Macintosh personal computers as a simple yet powerful tool for analyzing solvent extraction flowsheets. 22 refs., 4 figs., 2 tabs

  3. TRUEX process solvent cleanup with solid sorbents

    International Nuclear Information System (INIS)

    Tse, Pui-Kwan; Reichley-Yinger, L.; Vandegrift, G.F.

    1989-01-01

    Solid sorbents, alumina, silica gel, and Amberlyst A-26 have been tested for the cleanup of degraded TRUEX-NPH solvent. A sodium carbonate scrub alone does not completely remove acidic degradation products from highly degraded solvent and cannot restore the stripping performance of the solvent. By following the carbonate scrub with either neutral alumina or Amberlyst A-26 anion exchange resin, the performance of the TRUEX-NPH is substantially restored. The degraded TRUEX-NPH was characterized before and after treatment by supercritical fluid chromatography. Its performance was evaluated by americium distribution ratios, phase-separation times, and lauric acid distribution coefficients. 17 refs., 2 figs., 5 tabs

  4. Uranium refining by solvent extraction

    International Nuclear Information System (INIS)

    Kraikaew, J.; Srinuttrakul, W.

    2014-01-01

    The solvent extraction process to produce higher purity uranium from yellowcake was studied in laboratory scale. Yellowcake, which the uranium purity is around 70% and the main impurity is thorium, was obtained from monazite processing pilot plant of Rare Earth Research and Development Center in Thailand. For uranium re-extraction process, the extractant chosen was Tributylphosphate (TBP) in kerosene. It was found that the optimum concentration of TBP was 10% in kerosene and the optimum nitric acid concentration in uranyl nitrate feed solution was 4 N. An increase in concentrations of uranium and thorium in feed solution resulted in a decrease in the distribution of both components in the extractant. However, the distribution of uranium into the extractant was found to be more than that of thorium. The equilibration study of the extraction system, UO_2(NO_3)/4N HNO_3 – 10%TBP/Kerosene, was also investigated. Two extraction stages were calculated graphically from 100,000 ppm uranium concentration in feed solution input with 90% extraction efficiency and the flow ratio of aqueous phase to organic phase was adjusted to 1.0. For thorium impurity scrubbing process, 10% TBP in kerosene was loaded with uranium and minor thorium from uranyl nitrate solution prepared from yellowcake and was scrubbed with different low concentration nitric acid. The results showed that at nitric acid normality was lower than 1 N, uranium distributed well to aqueous phase. As conclusion, optimum nitric acid concentration for scrubbing process should not less than 1 N and diluted nitric acid or de-ionized water should be applied to strip uranium from organic phase in the final refining process. (author)

  5. Chemical characterization by GC-MS and phytotoxic potential of non-polar and polar fractions of seeds of Dioteryx odorata (Aubl. Willd. from Venezuelan regions

    Directory of Open Access Journals (Sweden)

    Alberto de J. Oliveros-Bastidas

    2013-01-01

    Full Text Available Dipteryx odorata (Aubl. Willd. is a tall arboreal species native to Central and Northern South America. This paper describes the chemical characterization and phytotoxic potential of polar and non-polar extracts from D. odorata seeds. Structural determinations were accomplished by chemical derivatization and analyzed by GC/MS. The chemical composition of the non-polar fraction (hexane and dichloromethane presented fatty acids as major constituent. Medium polar and polar fractions (ethyl acetate and ethanol: water contained carboxylic acid and high 6,7-Dyhidroxycoumarin-β-D-glucopyranoside content, not previously reported for seeds of D. odorata. Extracts showed a significant level of phytotoxic activity, correlated to the content of coumarin derivatives, predominantly in the polar fraction.

  6. The Rate of Success of the Accelerated Solvent Extraction (Ase of Fat and Organochlorine Pesticides from Dried Fish Meat Samples

    Directory of Open Access Journals (Sweden)

    Ana Andreea CIOCA

    2017-05-01

    Full Text Available The replacement of conventional sample preparation techniques with newer techniques which are automated, faster and more eco-friendly, is nowadays desired in every analytical laboratory. One of the techniques with the attributes mentioned above is the Accelerated Solvent Extraction. In order to evaluate how successful this method is for the extraction of fat and organochlorine pesticides (OCPs from dried fish meat samples, we have tested two series of diverse fish using Dionex™ 350 ASE provided by Thermo Scientific™ (Germany. For a more interesting approach, we added to our investigation 7 polychlorinated biphenyl (PCBs, 3 thricholorobenzenes, 2 tetrachlorobenzenes, 1 pentachlorobenzenes and 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD. The study focused on comparing the recoveries of these analytes from different fish samples, after replacing the conventional reference method of the laboratory with ASE. The ASE parameters tested were previously used for the extraction of fat and polybrominated diphenyl ethers (PBDE from fish samples: temperature: 120 ° C; static time: 5 min; number of cycles: 3; flushing volume: 25%; rinse with nitrogen: 90 s; solvent: cyclohexane/ethyl acetate (ratio 1:1. The ASE method provided similar and in some cases better results when compared to the standard reference method, more rapidly, eco-friendly and safer. Any high or low recoveries of the analytes taken into study are attributed to random or systematic errors during the Clean-up step of the extracts and the quantification with Gas Chromatography coupled with Tandem Mass-Spectrometry (GC MS/MS.

  7. Resolving the false-negative issues of the nonpolar organic amendment in whole-sediment toxicity identification evaluations.

    Science.gov (United States)

    Mehler, W Tyler; Keough, Michael J; Pettigrove, Vincent

    2018-04-01

    Three common false-negative scenarios have been encountered with amendment addition in whole-sediment toxicity identification evaluations (TIEs): dilution of toxicity by amendment addition (i.e., not toxic enough), not enough amendment present to reduce toxicity (i.e., too toxic), and the amendment itself elicits a toxic response (i.e., secondary amendment effect). One such amendment in which all 3 types of false-negatives have been observed is with the nonpolar organic amendment (activated carbon or powdered coconut charcoal). The objective of the present study was to reduce the likelihood of encountering false-negatives with this amendment and to increase the value of the whole-sediment TIE bioassay. To do this, the present study evaluated the effects of various activated carbon additions to survival, growth, emergence, and mean development rate of Chironomus tepperi. Using this information, an alternative method for this amendment was developed which utilized a combination of multiple amendment addition ratios based on wet weight (1%, lower likelihood of the secondary amendment effect; 5%, higher reduction of contaminant) and nonconventional endpoints (emergence, mean development rate). This alternative method was then validated in the laboratory (using spiked sediments) and with contaminated field sediments. Using these multiple activated carbon ratios in combination with additional endpoints (namely, emergence) reduced the likelihood of all 3 types of false-negatives and provided a more sensitive evaluation of risk. Environ Toxicol Chem 2018;37:1219-1230. © 2017 SETAC. © 2017 SETAC.

  8. Human Cytotoxic T Lymphocytes Form Dysfunctional Immune Synapses with B Cells Characterized by Non-Polarized Lytic Granule Release

    Directory of Open Access Journals (Sweden)

    Anna Kabanova

    2016-04-01

    Full Text Available Suppression of the cytotoxic T cell (CTL immune response has been proposed as one mechanism for immune evasion in cancer. In this study, we have explored the underlying basis for CTL suppression in the context of B cell malignancies. We document that human B cells have an intrinsic ability to resist killing by freshly isolated cytotoxic T cells (CTLs, but are susceptible to lysis by IL-2 activated CTL blasts and CTLs isolated from immunotherapy-treated patients with chronic lymphocytic leukemia (CLL. Impaired killing was associated with the formation of dysfunctional non-lytic immune synapses characterized by the presence of defective linker for activation of T cells (LAT signaling and non-polarized release of the lytic granules transported by ADP-ribosylation factor-like protein 8 (Arl8. We propose that non-lytic degranulation of CTLs are a key regulatory mechanism of evasion through which B cells may interfere with the formation of functional immune synapses by CTLs.

  9. Tip-induced domain growth on the non-polar cuts of lithium niobate single-crystals

    Science.gov (United States)

    Alikin, D. O.; Ievlev, A. V.; Turygin, A. P.; Lobov, A. I.; Kalinin, S. V.; Shur, V. Ya.

    2015-05-01

    Currently, ferroelectric materials with designed domain structures are considered as a perspective material for new generation of photonic, data storage, and data processing devices. Application of external electric field is the most convenient way of the domain structure formation. Lots of papers are devoted to the investigation of domain kinetics on polar surface of crystals while the forward growth remains one of the most mysterious stages due to lack of experimental methods allowing to study it. Here, we performed tip-induced polarization reversal on X- and Y-non-polar cuts in single-crystal of congruent lithium niobate which allows us to study the forward growth with high spatial resolution. The revealed difference in the shape and length of domains induced on X- and Y-cuts is beyond previously developed theoretical approaches used for the theoretical consideration of the domains growth at non-polar ferroelectric surfaces. To explain experimental results, we used kinetic approach with anisotropy of screening efficiency along different crystallographic directions.

  10. 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

  11. Organic solvents from sugar cane molasses

    Energy Technology Data Exchange (ETDEWEB)

    Oeser, H

    1970-01-01

    The production of organic solvents by fermentation of low priced cane molasses is discussed. Processes described and illustrated in detail include the production of acetone, butanol, ethanol, acetic acid, ethyl acetate and butyl acetate.

  12. Solvent induced supramolecular anisotropy in molecular gels

    Energy Technology Data Exchange (ETDEWEB)

    Rogers, Michael A., E-mail: mroger09@uoguelph.ca [Department of Food Science, University of Guelph, Guelph, Ontario, N3C3X9 (Canada); Corradini, Maria G. [Department of Food Science, University of Massachusetts Amherst, Amherst, MA, 01003 (United States); Emge, Thomas [Department of Chemistry and Biochemistry, Rutgers University, New Brunswick, NJ, 08901 (United States)

    2017-06-15

    Herein is the first report of solvent induced anisotropy in 12-hydroxystearic acid self-assembled fibrillar networks. Increasing the chain length of polar solvent, such as nitriles and ketones, tailored the anisotropy of the fibrillar aggregates. 12HSA molecular gels, comprised of alkanes, exhibited an isotropic fibrillar network irrespective of the alkane chain length. In polar solvents, anisotropy, observed using 2D powder x-ray diffraction profiles, is correlated to a fibrillar supramolecular morphologies in long chain nitriles and ketones while sphereulitic crystals are correlated to x-ray diffraction patterns with an isotropic scatter intensity in short chain ketones and nitriles. These changes directly modify the final physical properties of the gels. - Highlights: • 12-HSA self-assembles into crystalline supramolecular morphologies depending on the solvent. • Alkanes, short chain nitriles and ketones led to 12-HSA displaying supramolecular isotropy. • In long chain nitriles and ketones, 12-HSA displays supramolecular anisotropy.

  13. Solvent induced supramolecular anisotropy in molecular gels

    International Nuclear Information System (INIS)

    Rogers, Michael A.; Corradini, Maria G.; Emge, Thomas

    2017-01-01

    Herein is the first report of solvent induced anisotropy in 12-hydroxystearic acid self-assembled fibrillar networks. Increasing the chain length of polar solvent, such as nitriles and ketones, tailored the anisotropy of the fibrillar aggregates. 12HSA molecular gels, comprised of alkanes, exhibited an isotropic fibrillar network irrespective of the alkane chain length. In polar solvents, anisotropy, observed using 2D powder x-ray diffraction profiles, is correlated to a fibrillar supramolecular morphologies in long chain nitriles and ketones while sphereulitic crystals are correlated to x-ray diffraction patterns with an isotropic scatter intensity in short chain ketones and nitriles. These changes directly modify the final physical properties of the gels. - Highlights: • 12-HSA self-assembles into crystalline supramolecular morphologies depending on the solvent. • Alkanes, short chain nitriles and ketones led to 12-HSA displaying supramolecular isotropy. • In long chain nitriles and ketones, 12-HSA displays supramolecular anisotropy.

  14. Full scale solvent extraction remedial results

    International Nuclear Information System (INIS)

    Cash, A.B.

    1992-01-01

    Sevenson Extraction Technology, Inc. has completed the development of the Soil Restoration Unit (initially developed by Terra-Kleen Corporation), a mobile, totally enclosed solvent extraction treatment facility for the removal of organic contaminated media is greater by a closed loop, counter current process that recycles all solvents. The solvents used are selected for the individual site dependant upon the contaminants, such as PCB's, oil, etc. and the soil conditions. A mixture of up to fourteen non-toxic solvents can be used for complicated sites. The full scale unit has been used to treat one superfund site, the Traband Site in Tulsa, Oklahoma, and is currently treating another superfund site, the Pinette's Salvage Yard Site in Washburn, Maine. The full scale Soil Restoration Unit has also been used at a non-superfund site, as part of a TSCA Research and Development permit. The results from these sites will be discussed in brief herein, and in more detail in the full paper

  15. Enantioselective solvent-free Robinson annulation reactions

    Indian Academy of Sciences (India)

    Unknown

    solvents to effect an asymmetric synthesis is an important step forward towards ... In continuation of our preliminary communication 2, we wish to ..... formation of chiral enamine 74 from the reaction of S-proline with pro-R carbonyl group.

  16. STUDIES ON SOLVENT EXTRACTION OF FREE HYDROGEN ...

    African Journals Online (AJOL)

    synthesized through glucose degradation (glycolysis) to lactic acid. ... g sample into a well stoppered plastic bottle and mixed with 20 mL of distilled .... Recovery of used solvent is necessary because methylchloroform is toxic to the bacteria.

  17. Green and Bio-Based Solvents.

    Science.gov (United States)

    Calvo-Flores, Francisco G; Monteagudo-Arrebola, María José; Dobado, José A; Isac-García, Joaquín

    2018-04-24

    Chemical reactions and many of the procedures of separation and purification employed in industry, research or chemistry teaching utilize solvents massively. In the last decades, with the birth of Green Chemistry, concerns about the employment of solvents and the effects on human health, as well as its environmental impacts and its dependence on non-renewable raw materials for manufacturing most of them, has drawn the attention of the scientific community. In this work, we review the concept of green solvent and the properties and characteristics to be considered green. Additionally, we discuss the different possible routes to prepare many solvents from biomass, as an alternative way to those methods currently applied in the petrochemical industry.

  18. Activity coefficients of solutes in binary solvents

    International Nuclear Information System (INIS)

    Gokcen, N.A.

    1982-01-01

    The activity coefficients in dilute ternary systems are discussed in detail by using the Margules equations. Analyses of some relevant data at high temperatures show that the sparingly dissolved solutes in binary solvents follow complex behavior even when the binary solvents are very nearly ideal. It is shown that the activity data on the solute or the binary system cannot permit computation of the remaining activities except for the regular solutions. It is also shown that a fourth-order equation is usually adequate in expressing the activity coefficient of a solute in binary solvents at high temperatures. When the activity data for a binary solvent are difficult to obtain in a certain range of composition, the activity data for a sparingly dissolved solute can be used to supplement determination of the binary activities

  19. Impact of band structure and transition matrix elements on polarization properties of the photoluminescence of semipolar and nonpolar InGaN quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Schade, L.; Schwarz, U.T. [Department of Microsystems Engineering, University of Freiburg, Georges-Koehler-Allee 103, 79108 Freiburg (Germany); Fraunhofer Institute for Applied Solid State Physics (IAF), Tullastrasse 72, 79108 Freiburg (Germany); Wernicke, T. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Weyers, M. [Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany); Kneissl, M. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany)

    2011-03-15

    Partial or full linear polarization is characteristic for the spontaneous emission of light from semipolar and nonpolar InGaN quantum wells. This property is an implication of the crystalline anisotropy as a basic property of the wurtzite structure. The influence of this anisotropy on the band structure and the transition matrix elements was calculated by a k.p-method for arbitrary quantum well orientations with respect to the c-axis; results are shown here in detail. Optical polarization is a direct consequence of a broken symmetry, mainly affecting the transition matrix elements from the conduction to the valence bands. Furthermore, the strain of the InGaN quantum well strongly depends on the crystal orientation of the substrate, resulting in a valence band mixing. The composition of the eigenfunctions has emerged to be most important for the polarization dependence of strained semipolar and nonpolar InGaN QW. The matrix elements, in combination with the thermal occupation of the bands, determine the polarization of the spontaneously emitted light. Our photoluminescence measurements of nonpolar QW match well with this model. However, in contrast to calculations with standard band parameters, the two topmost subbands show a larger separation in the emitted energy. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Conversion of polar and non-polar algae oil lipids to fatty acid methyl esters with solid acid catalysts--A model compound study.

    Science.gov (United States)

    Asikainen, Martta; Munter, Tony; Linnekoski, Juha

    2015-09-01

    Bio-based fuels are becoming more and more important due to the depleting fossil resources. The production of biodiesel from algae oil is challenging compared to terrestrial vegetable oils, as algae oil consists of polar fatty acids, such as phospholipids and glycolipids, as well as non-polar triglycerides and free fatty acids common in vegetable oils. It is shown that a single sulphonated solid acid catalyst can perform the esterification and transesterification reactions of both polar and non-polar lipids. In mild reaction conditions (60-70 °C) Nafion NR50 catalyst produces methyl palmitate (FAME) from the palmitic acid derivatives of di-, and tri-glyceride, free fatty acid, and phospholipid with over 80% yields, with the glycolipid derivative giving nearly 40% yields of FAME. These results demonstrate how the polar and non-polar lipid derivatives of algal oil can be utilised as feedstocks for biodiesel production with a single catalyst in one reaction step. Copyright © 2015 Elsevier Ltd. All rights reserved.