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Sample records for 1-ethyl-3-methyl imidazolium chloride

  1. An XAFS study of nickel chloride in the ionic liquid 1-ethyl-3-methyl imidazolium chloride/ aluminum chloride

    SciTech Connect

    D Roeper; G Cheek; K Pandya; W OGrady

    2011-12-31

    Nickel chloride was studied with cyclic voltammetry and X-ray absorption spectroscopy in acidic and basic aluminum chloride/1-ethyl-3-methyl imidazolium chloride (EMIC) ionic liquids. Acidic melts display metal stripping peaks which are not observed in the basic melt. EXAFS analysis shows that the nickel is tetrahedrally coordinated with chloride ions in the basic solution. In the acidic solution the nickel is coordinated by six chloride ions that are also associated with aluminum ions.

  2. An XAFS Study of Niobium chloride in the ionic liquid 1-ethyl-3-methyl imidazolium chloride/ aluminum chloride

    SciTech Connect

    D Roeper; K Pandya; G Cheek; W OGrady

    2011-12-31

    Niobium chloride was studied with extended X-ray absorption fine structure spectroscopy (EXAFS) in acidic and basic aluminum chloride/1-ethyl-3-methyl imidazolium chloride (EMIC) ionic liquids. Although anhydrous Nb2Cl10 is more soluble in the basic melt than in the acidic melt, the EXAFS data shows that the coordination shell around the niobium does not change in the different ionic liquids. Both the acidic and basic melts show a coordination of five chlorides in the first shell. This indicates that in this series of ionic liquids, the Nb2Cl10 breaks up into two NbCl5 entities in both the acidic and the basic melts.

  3. An XAFS Study of Tantalum Chloride in the Ionic Liquid 1-ethyl-3-methyl Imidazolium Chloride/ aluminum Chloride

    SciTech Connect

    D Roeper; K Pandya; G Cheek; W OGrady

    2011-12-31

    Tantalum chloride was studied with extended X-ray absorption fine structure spectroscopy (XAFS) in acidic and basic aluminum chloride/1-ethyl-3-methyl imidazolium chloride ionic liquids (ILs). Anhydrous Ta2Cl10 is more soluble in the basic solution than in the acidic solution and the X-ray absorption data shows that the coordination shell of chlorides around the tantalum is larger in the basic solution. In the acidic solution, tantalum has five chlorides in its coordination shell while in the basic solution; the tantalum is coordinated by seven chlorides. This indicates that the Lewis acidity of the tantalum chloride causes the Ta to coordinate differently in the acidic and the basic solutions.

  4. The Structure of Nickel Chloride in the Ionic Liquid 1-Ethyl-3-methyl Imidazolium Chloride/Aluminum Chloride: X-ray Absorption Spectroscopy

    SciTech Connect

    D Roeper; K Pandya; G Cheek; W OGrady

    2011-12-31

    The structure of anhydrous nickel chloride in the ionic liquid 1-ethyl-3-methyl imidazolium chloride and aluminum chloride has been investigated with extended X-ray absorption fine structure (EXAFS) in both Lewis acid and Lewis base solutions. The EXAFS data of NiCl{sub 2} {center_dot} 6H{sub 2}O crystals were also recorded and analyzed to demonstrate the difference file technique. The difference file technique is used to obtain the structural information for the very closely spaced coordination shells of chloride and oxygen in NiCl{sub 2} {center_dot} 6H{sub 2}O and they are found to agree very closely with the X-ray diffraction data. The difference file technique is then used to analyze the nickel chloride in the ionic liquid solutions. Even though anhydrous NiCl{sub 2} is more soluble in the basic solution than in the acidic solution, the EXAFS data show a single coordination of four chlorides in a tetrahedron around the nickel atom in the basic solution. In a weak acid solution, there are six chlorides in a single octahedral coordination shell around the nickel. However, in a strong acid solution, in addition to the octahedral chloride-coordination shell, there is a second coordination shell of eight aluminum atoms in the form of a simple cube.

  5. XAFS Studies of Ni Ta and Nb Chlorides in the Ionic Liquid 1-Ethyl-3-Methyl Imidazolium Chloride / Aluminum Chloride

    SciTech Connect

    W OGrady; D Roeper; K Pandya; G Cheek

    2011-12-31

    The structures of anhydrous nickel, niobium, and tantalum chlorides have been investigated in situ in acidic and basic ionic liquids (ILs) of 1-methyl-3-ethylimidazolium chloride (EMIC)/AlCl{sub 3} with X-ray absorption spectroscopy (XAS). The coordination of NiCl{sub 2} changes from tetrahedral in basic solution to octahedral in acidic solution. The NiCl{sub 2} is a strong Lewis acid in that it can induce the AlCl{sub 3} to share its chlorides in the highly acidic IL, forming a structure with six near Cl{sup -} ions and eight further distant Al ions which share the chloride ions surrounding the Ni{sup 2+}. When Nb{sub 2}Cl{sub 10}, a dimer, is added to the acidic or basic solution, the dimer breaks apart and forms two species. In the acid solution, two trigonal bipyramids are formed with five equal chloride distances, while in the basic solution, a square pyramid with four chlorides forming a square base and one shorter axial chloride bond. Ta{sub 2}Cl{sub 10} is also a dimer and divides into half in the acidic solution and forms two trigonal bipyramids. In the basic solution, the dimer breaks apart but the species formed is sufficiently acidic that it attracts two additional chloride ions and forms a seven coordinated tantalum species.

  6. Dendrite-Free Aluminum Electrodeposition from AlCl3-1-Ethyl-3-Methyl-Imidazolium Chloride Ionic Liquid Electrolytes

    NASA Astrophysics Data System (ADS)

    Pradhan, Debabrata; Reddy, Ramana G.

    2012-06-01

    A novel, dendrite-free electrorefining of aluminum scrap alloys (A360) was investigated by using a low-temperature AlCl3-1-ethyl-3-methyl-imidazolium chloride (EMIC) ionic liquid electrolyte on copper/aluminum cathodes. The bulk electrodeposition of aluminum was carried out at a fixed voltage of 1.5 V, temperatures 323 K to 383 K (50 °C to 110 °C), stirring rate (0 to 120 rpm), concentration (molar ratio AlCl3:EMIC = 1.25 to 2.0), and electrode surface modification (modified/unmodified). The study investigated the effect of electrode surface modification, cathode materials, temperature, stirring rate, electrolyte concentration, and deposition time on the deposit morphology of aluminum, cathode current density, and their role in production of dendrite-free aluminum deposit, which is essential for decreasing the production cost. The deposits were characterized using scanning electron microscope (SEM), energy-dispersive spectroscopy (EDS), and X-ray diffraction (XRD). It was shown that electrode surface modification, cathode overpotential, and stirring rate play an important role in dendrite-free deposit. Modified electrodes and stirring (60 rpm) eliminate dendritic deposition by reducing cathode overpotential below critical overpotential ( η_{{crt}} ≈ - 0.53V ) for dendrite formation. Pure aluminum (>99 pct) was deposited for all experiments with a current efficiency of 84 to 99 pct and energy consumption of 4.51 to 5.32 kWh/kg Al.

  7. Poly[1-ethyl-3-methyl­imidazolium [tri-μ-chlorido-chromate(II)

    PubMed Central

    Danford, James J.; Arif, Atta M.; Berreau, Lisa M.

    2009-01-01

    The title compound, {(C6H11N2)[CrCl3]}n, was generated via mixing of the ionic liquid 1-ethyl-3-methyl­imidazolium chloride with CrCl2 in ethanol. Crystals were obtained by a diffusion method. In the crystal structure, the anion forms one-dimensional chains of chloride-bridged Jahn–Teller distorted chromium(II) centers extending along the [100] direction. The imidazolium cations are positioned between these chains. PMID:21581818

  8. Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture.

    PubMed

    Spickermann, C; Thar, J; Lehmann, S B C; Zahn, S; Hunger, J; Buchner, R; Hunt, P A; Welton, T; Kirchner, B

    2008-09-14

    In this study we present the results of a first principles molecular dynamics simulation of a single 1-ethyl-3-methyl-imidazolium chloride [C(2)C(1)im][Cl] ion pair dissolved in 60 water molecules. We observe a preference of the in plane chloride coordination with respect to the cation ring plane as compared to the energetic slightly more demanding on top coordination. Evaluation of the different radial distribution functions demonstrates that the structure of the hydration shell around the ion pair differs significantly from bulk water and that no true ion pair dissociation in terms of completely autonomous solvation shells takes place on the timescale of the simulation. In addition, dipole moment distributions of the solvent in distinct solvation shells around different functional parts of the [C(2)C(1)im][Cl] ion pair are calculated from maximally localized Wannier functions. The analysis of these distributions gives evidence for a depolarization of water molecules close to the hydrophobic parts of the cation as well as close to the anion. Examination of the angular distribution of different OH(H(2)O)-X angles in turn shows a linear coordination of chloride accompanied by a tangential orientation of water molecules around the hydrophobic groups, being a typical feature of hydrophobic hydration. Based on these orientational aspects, a structural model for the obvious preference of ion pair association is developed, which justifies the associating behavior of solvated [C(2)C(1)im][Cl] ions in terms of an energetically favorable interface between the solvation shells of the anion and the hydrophobic parts of the cation. PMID:19044922

  9. Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture

    NASA Astrophysics Data System (ADS)

    Spickermann, C.; Thar, J.; Lehmann, S. B. C.; Zahn, S.; Hunger, J.; Buchner, R.; Hunt, P. A.; Welton, T.; Kirchner, B.

    2008-09-01

    In this study we present the results of a first principles molecular dynamics simulation of a single 1-ethyl-3-methyl-imidazolium chloride [C2C1im][Cl] ion pair dissolved in 60 water molecules. We observe a preference of the in plane chloride coordination with respect to the cation ring plane as compared to the energetic slightly more demanding on top coordination. Evaluation of the different radial distribution functions demonstrates that the structure of the hydration shell around the ion pair differs significantly from bulk water and that no true ion pair dissociation in terms of completely autonomous solvation shells takes place on the timescale of the simulation. In addition, dipole moment distributions of the solvent in distinct solvation shells around different functional parts of the [C2C1im][Cl] ion pair are calculated from maximally localized Wannier functions. The analysis of these distributions gives evidence for a depolarization of water molecules close to the hydrophobic parts of the cation as well as close to the anion. Examination of the angular distribution of different OH(H2O )-X angles in turn shows a linear coordination of chloride accompanied by a tangential orientation of water molecules around the hydrophobic groups, being a typical feature of hydrophobic hydration. Based on these orientational aspects, a structural model for the obvious preference of ion pair association is developed, which justifies the associating behavior of solvated [C2C1im][Cl] ions in terms of an energetically favorable interface between the solvation shells of the anion and the hydrophobic parts of the cation.

  10. Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

    SciTech Connect

    Mao, James X; Lee, Anita S; Kitchin, John R; Nulwala, Hunaid B; Luebke, David R; Damodaran, Krishnan

    2013-04-24

    Density Functional Theory is used to investigate a weakly coordinating room-temperature ionic liquid, 1-ethyl-3-methyl imidazolium tetracyanoborate ([Emim]{sup +}[TCB]{sup -}). Four locally stable conformers of the ion pair were located. Atoms-in-molecules (AIM) and electron density analysis indicated the existence of several hydrogen bonds. Further investigation through the Natural Bond Orbital (NBO) and Natural Energy Decomposition Analysis (NEDA) calculations provided insight into the origin of interactions in the [Emim]{sup +}[TCB]{sup -} ion pair. Strength of molecular interactions in the ionic liquid was correlated with frequency shifts of the characteristic vibrations of the ion pair. Harmonic vibrations of the ion pair were also compared with the experimental Raman and Infrared spectra. Vibrational frequencies were assigned by visualizing displacements of atoms around their equilibrium positions and through Potential Energy Distribution (PED) analysis.

  11. Diffusion of 1-ethyl-3-methyl-imidazolium acetate in glucose, cellobiose, and cellulose solutions.

    PubMed

    Ries, Michael E; Radhi, Asanah; Keating, Alice S; Parker, Owen; Budtova, Tatiana

    2014-02-10

    Solutions of glucose, cellobiose and microcrystalline cellulose in the ionic liquid 1-ethyl-3-methyl-imidazolium ([C2mim][OAc]) have been examined using pulsed-field gradient (1)H NMR. Diffusion coefficients of the cation and anion across the temperature range 20-70 °C have been determined for a range of concentrations (0-15% w/w) of each carbohydrate in [C2mim][OAc]. These systems behave as an "ideal mixture" of free ions and ions that are associated with the carbohydrate molecules. The molar ratio of carbohydrate OH groups to ionic liquid molecules, α, is the key parameter in determining the diffusion coefficients of the ions. Master curves for the diffusion coefficients of cation, anion and their activation energies are generated upon which all our data collapses when plotted against α. Diffusion coefficients are found to follow an Arrhenius type behavior and the difference in translational activation energy between free and associated ions is determined to be 9.3 ± 0.9 kJ/mol. PMID:24405090

  12. Diffusion of 1-Ethyl-3-methyl-imidazolium Acetate in Glucose, Cellobiose, and Cellulose Solutions

    PubMed Central

    2014-01-01

    Solutions of glucose, cellobiose and microcrystalline cellulose in the ionic liquid 1-ethyl-3-methyl-imidazolium ([C2mim][OAc]) have been examined using pulsed-field gradient 1H NMR. Diffusion coefficients of the cation and anion across the temperature range 20–70 °C have been determined for a range of concentrations (0–15% w/w) of each carbohydrate in [C2mim][OAc]. These systems behave as an “ideal mixture” of free ions and ions that are associated with the carbohydrate molecules. The molar ratio of carbohydrate OH groups to ionic liquid molecules, α, is the key parameter in determining the diffusion coefficients of the ions. Master curves for the diffusion coefficients of cation, anion and their activation energies are generated upon which all our data collapses when plotted against α. Diffusion coefficients are found to follow an Arrhenius type behavior and the difference in translational activation energy between free and associated ions is determined to be 9.3 ± 0.9 kJ/mol. PMID:24405090

  13. Crystal structure of the tetra-gonal polymorph of bis-(1-ethyl-3-methyl-imidazolium) tetra-bromido-cadmate.

    PubMed

    Đorđević, Tamara; Gerger, Sabrina; Karanović, Ljiljana

    2016-07-01

    Both unique Cd atoms in the tetra-gonal polymorph of bis-(1-ethyl-3-methyl-imidazolium) tetra-bromido-cadmate, (C6H11N2)2[CdBr4], occupy special positions (site symmetry -4). The crystal structure consists of isolated tetra-hedral [CdBr4](2-) anions which are surrounded by 1-ethyl-3-methyl-imidazolium cations. The methyl and ethyl side chains of the cations show positional disorder in a 0.590 (11):0.410 (11) ratio. In the crystal, (C6H11N2)(+) cations display three weak C-H⋯Br hydrogen-bond inter-actions through the imidazolium ring H atoms with the Br(-) ligands of the surrounding complex anions. The alkyl groups of the side chains are not involved in hydrogen bonding. PMID:27555953

  14. Crystal structure of the tetra­gonal polymorph of bis­(1-ethyl-3-methyl­imidazolium) tetra­bromido­cadmate

    PubMed Central

    Đorđević, Tamara; Gerger, Sabrina; Karanović, Ljiljana

    2016-01-01

    Both unique Cd atoms in the tetra­gonal polymorph of bis­(1-ethyl-3-methyl­imidazolium) tetra­bromido­cadmate, (C6H11N2)2[CdBr4], occupy special positions (site symmetry -4). The crystal structure consists of isolated tetra­hedral [CdBr4]2− anions which are surrounded by 1-ethyl-3-methyl­imidazolium cations. The methyl and ethyl side chains of the cations show positional disorder in a 0.590 (11):0.410 (11) ratio. In the crystal, (C6H11N2)+ cations display three weak C—H⋯Br hydrogen-bond inter­actions through the imidazolium ring H atoms with the Br− ligands of the surrounding complex anions. The alkyl groups of the side chains are not involved in hydrogen bonding. PMID:27555953

  15. Atomistic simulations of the solid-liquid transition of 1-ethyl-3-methyl imidazolium bromide ionic liquid.

    PubMed

    Feng, Haijun; Zhou, Jian; Qian, Yu

    2011-10-14

    Achieving melting point around room temperature is important for applications of ionic liquids. In this work, molecular dynamics simulations are carried out to investigate the solid-liquid transition of ionic liquid 1-ethyl-3-methyl imidazolium bromide ([emim]Br) by direct heating, hysteresis, void-nucleation, sandwich, and microcanonical ensemble approaches. Variations of the non-bonded energy, density, diffusion coefficient, and translational order parameter of [emim]Br are analyzed as a function of temperature, and a coexisting solid-liquid system is achieved in the microcanonical ensemble method. The melting points obtained from the first three methods are 547 ± 8 K, 429 ± 8 K, and 370 ± 6 K; while for the sandwich method, the melting points are 403 ± 4 K when merging along the x-axis by anisotropic isothermal-isobaric (NPT) ensemble, 393 ± 4 K when along the y-axis by anisotropic NPT ensemble, and 375 ± 4 K when along the y-axis by isotropic NPT ensemble. For microcanonical ensemble method, when the slabs are merging along different directions (x-axis, y-axis, and z-axis), the melting points are 364 ± 3 K, 365 ± 3 K, and 367 ± 3 K, respectively, the melting points we get by different methods are approximately 55.4%, 21.9%, 5.1%, 14.5%, 11.6%, 6.5%, 3.4%, 3.7%, and 4.3% higher than the experimental value of 352 K. The advantages and disadvantages of each method are discussed. The void-nucleation and microcanonical ensemble methods are most favorable for predicting the solid-liquid transition. PMID:22010721

  16. Rigidity and soft percolation in the glass transition of an atomistic model of ionic liquid, 1-ethyl-3-methyl imidazolium nitrate, from molecular dynamics simulations—Existence of infinite overlapping networks in a fragile ionic liquid

    SciTech Connect

    Habasaki, Junko; Ngai, K. L.

    2015-04-28

    The typical ionic liquid, 1-ethyl-3-methyl imidazolium nitrate (EMIM-NO{sub 3}), was examined by molecular dynamics simulations of an all-atomistic model to show the characteristics of networks of cages and/or bonds in the course of vitrification of this fragile glass-former. The system shows changes of dynamics at two characteristic temperatures, T{sub B} (or T{sub c}) and the glass transition temperature T{sub g}, found in other fragile glass forming liquids [K. L. Ngai and J. Habasaki, J. Chem. Phys. 141, 114502 (2014)]. On decreasing temperature, the number of neighboring cation-anion pairs, N{sub B}, within the first minimum of the pair correlation function, g(r){sub min}, increases. On crossing T{sub B} (>T{sub g}), the system volume and diffusion coefficient both show changes in temperature dependence, and as usual at T{sub g}. The glass transition temperature, T{sub g}, is characterized by the saturation of the total number of “bonds,” N{sub B} and the corresponding decrease in degree of freedom, F = [(3N − 6) − N{sub B}], of the system consisting of N particles. Similar behavior holds for the other ion-ion pairs. Therefore, as an alternative, the dynamics of glass transition can be interpreted conceptually by rigidity percolation. Before saturation occurring at T{sub g}, the number of bonds shows a remarkable change at around T{sub B}. This temperature is associated with the disappearance of the loosely packed coordination polyhedra of anions around cation (or vice versa), related to the loss of geometrical freedom of the polyhedra, f{sub g}, of each coordination polyhedron, which can be defined by f{sub g} = [(3N{sub V} − 6) − N{sub b}]. Here, 3N{sub v} is the degree of freedom of N{sub V} vertices of the polyhedron, and N{sub b} is number of fictive bonds. The packing of polyhedra is characterized by the soft percolation of cages, which allows further changes with decreasing temperature. The power spectrum of displacement of the central ion

  17. Rigidity and soft percolation in the glass transition of an atomistic model of ionic liquid, 1-ethyl-3-methyl imidazolium nitrate, from molecular dynamics simulations—Existence of infinite overlapping networks in a fragile ionic liquid

    NASA Astrophysics Data System (ADS)

    Habasaki, Junko; Ngai, K. L.

    2015-04-01

    The typical ionic liquid, 1-ethyl-3-methyl imidazolium nitrate (EMIM-NO3), was examined by molecular dynamics simulations of an all-atomistic model to show the characteristics of networks of cages and/or bonds in the course of vitrification of this fragile glass-former. The system shows changes of dynamics at two characteristic temperatures, TB (or Tc) and the glass transition temperature Tg, found in other fragile glass forming liquids [K. L. Ngai and J. Habasaki, J. Chem. Phys. 141, 114502 (2014)]. On decreasing temperature, the number of neighboring cation-anion pairs, NB, within the first minimum of the pair correlation function, g(r)min, increases. On crossing TB (>Tg), the system volume and diffusion coefficient both show changes in temperature dependence, and as usual at Tg. The glass transition temperature, Tg, is characterized by the saturation of the total number of "bonds," NB and the corresponding decrease in degree of freedom, F = [(3N - 6) - NB], of the system consisting of N particles. Similar behavior holds for the other ion-ion pairs. Therefore, as an alternative, the dynamics of glass transition can be interpreted conceptually by rigidity percolation. Before saturation occurring at Tg, the number of bonds shows a remarkable change at around TB. This temperature is associated with the disappearance of the loosely packed coordination polyhedra of anions around cation (or vice versa), related to the loss of geometrical freedom of the polyhedra, fg, of each coordination polyhedron, which can be defined by fg = [(3NV - 6) - Nb]. Here, 3Nv is the degree of freedom of NV vertices of the polyhedron, and Nb is number of fictive bonds. The packing of polyhedra is characterized by the soft percolation of cages, which allows further changes with decreasing temperature. The power spectrum of displacement of the central ion in the cage is found to be correlated with the fluctuation of Nb of cation-cation (or anion-anion) pairs in the polyhedron, although the

  18. Rigidity and soft percolation in the glass transition of an atomistic model of ionic liquid, 1-ethyl-3-methyl imidazolium nitrate, from molecular dynamics simulations--Existence of infinite overlapping networks in a fragile ionic liquid.

    PubMed

    Habasaki, Junko; Ngai, K L

    2015-04-28

    The typical ionic liquid, 1-ethyl-3-methyl imidazolium nitrate (EMIM-NO3), was examined by molecular dynamics simulations of an all-atomistic model to show the characteristics of networks of cages and/or bonds in the course of vitrification of this fragile glass-former. The system shows changes of dynamics at two characteristic temperatures, TB (or Tc) and the glass transition temperature Tg, found in other fragile glass forming liquids [K. L. Ngai and J. Habasaki, J. Chem. Phys. 141, 114502 (2014)]. On decreasing temperature, the number of neighboring cation-anion pairs, NB, within the first minimum of the pair correlation function, g(r)min, increases. On crossing TB (>Tg), the system volume and diffusion coefficient both show changes in temperature dependence, and as usual at Tg. The glass transition temperature, Tg, is characterized by the saturation of the total number of "bonds," NB and the corresponding decrease in degree of freedom, F = [(3N - 6) - NB], of the system consisting of N particles. Similar behavior holds for the other ion-ion pairs. Therefore, as an alternative, the dynamics of glass transition can be interpreted conceptually by rigidity percolation. Before saturation occurring at Tg, the number of bonds shows a remarkable change at around TB. This temperature is associated with the disappearance of the loosely packed coordination polyhedra of anions around cation (or vice versa), related to the loss of geometrical freedom of the polyhedra, fg, of each coordination polyhedron, which can be defined by fg = [(3NV - 6) - Nb]. Here, 3Nv is the degree of freedom of NV vertices of the polyhedron, and Nb is number of fictive bonds. The packing of polyhedra is characterized by the soft percolation of cages, which allows further changes with decreasing temperature. The power spectrum of displacement of the central ion in the cage is found to be correlated with the fluctuation of Nb of cation-cation (or anion-anion) pairs in the polyhedron, although the

  19. Macroscopic and microscopic study of 1-ethyl-3-methyl-imidazolium acetate-DMSO mixtures.

    PubMed

    Radhi, Asanah; Le, Kim Anh; Ries, Michael E; Budtova, Tatiana

    2015-01-29

    Macroscopic (steady-state viscosity, density) and microscopic (NMR chemical shifts, (1)H NMR relaxation times, and diffusion) properties of the 1-ethyl-3-methylimidazolium acetate ([EMIM][OAc])-dimethyl sulfoxide (DMSO) mixture were studied in detail as a function of DMSO molar fraction at various temperatures. Temperature dependencies were used to calculate the activation energies. NMR results indicate that at low molar fraction of DMSO (<0.4), it weakly associates with the cation and in doing so disrupts the strong ion-ion association that exists in the pure ionic liquid. Stokes-Einstein equation, which linearly correlates the diffusion coefficient of a spherical molecule and macroscopic viscosity, was shown to work well for the [EMIM][OAc]-DMSO mixture. The influence of DMSO on the "anomalous" diffusion in [EMIM][OAc] ("quick" cation vs "slow" anion) was investigated; it was demonstrated that DMSO makes the cation diffusion slower. All parameters studied showed relatively small deviations from the ideal mixing rule behavior (from 20% to 50% difference between experimental and theoretically predicted results), confirming weak interactions between the components. PMID:25565058

  20. Irreversible thermochromism in copper chloride Imidazolium Nanoparticle Networks.

    PubMed

    Kronstein, Martin; Kriechbaum, Konstantin; Akbarzadeh, Johanna; Peterlik, Herwig; Neouze, Marie-Alexandra

    2013-08-14

    In this work Imidazolium Nanoparticle Networks (INNs) with chloride counter-ions were used to complex copper dichloride. This complexation reaction leads to the formation of a green material. The properties of the copper INN material were compared to: first, copper imidazolium complexes, without the presence of silica nanoparticles, which are not thermochromic; second, chloride-containing INN material. The copper INN material showed irreversible thermochromic behaviour, with a clear colour change from green to yellow at 180 °C, which is due to a configuration change of the copper complex from planar to tetragonal. This structural change was studied using DSC and in situ SAXS measurements during heat treatment. The thermochromic material is stable under air up to 250 °C. This preliminary study opens the door of optical sensors for INN materials. PMID:23793383

  1. Effects of [C₂mim][OAc] (1-ethyl-3-methyl-imidazolium acetate) on the growth of wheat seedlings under Cd²⁺ stress.

    PubMed

    Chen, Zhonglin; Feng, Yingying; Wang, Jialu; Wang, Jie; Guan, Wei; Zhang, Huijin

    2014-06-01

    The joint effect on the growth of wheat seedlings under Cd(2+) stress (0, 0.5 mmol L(-1)) and [C2mim][OAc] with a series of concentrations (0, 100, 200, 300, 400, 500 mg L(-1)) was investigated. Physiological characteristics including superoxide dismutases, peroxidases, catalase and malondialdehyde were studied in hydroponic and soil cultures. Results indicated that, compared to samples treated under Cd(2+) stress alone, joint treatment groups showed Cd(2+) stress was mitigated by ionic liquid at appropriate concentrations (≤ 400 mg L(-1) in hydroponic treatments and ≤ 300 mg L(-1) in soil culture treatments). Use of inductively coupled plasma mass spectroscopy showed less Cd(2+) in organelles in the joint treatment group. This phenomenon could be due to [C2mim][OAc] forming metal complexes with Cd(2+), thus reducing the amount of free Cd(2+) available for absorption by the seedlings. PMID:24682162

  2. Distributed polarizability models for imidazolium-based ionic liquids.

    PubMed

    Millot, Claude; Chaumont, Alain; Engler, Etienne; Wipff, Georges

    2014-09-25

    Quantum chemical calculations are used to derive distributed polarizability models sufficiently accurate and compact to be used in classical molecular dynamics simulations of imidazolium-based room temperature ionic liquids. Two distributed polarizability models are fitted to reproduce the induction energy of three imidazolium cations (1,3-dimethyl-, 1-ethyl-3-methyl-, and 1-butyl-3-methylimidazolium) and four anions (tetrafluoroborate, hexafluorophosphate, nitrate, and thiocyanate) polarized by a point charge located successively on a grid of surrounding points. The first model includes charge-flow polarizabilities between first-neighbor atoms and isotropic dipolar polarizability on all atoms (except H), while the second model includes anisotropic dipolar polarizabilities on all atoms (except H). For the imidazolium cations, particular attention is given to the transferability of the distributed polarizability sets. The molecular polarizability and its anisotropy rebuilt by the distributed models are found to be in good agreement with the exact ab initio values for the three cations and 23 additional conformers of 1-ethyl-3-methyl-, 1-butyl-3-methyl-, 1-pentyl-3-methyl-, and 1-hexyl-3-methylimidazolium cations. PMID:25133873

  3. Effects of imidazolium chloride ionic liquids and their toxicity to Scenedesmus obliquus.

    PubMed

    Liu, Huijun; Zhang, Xiaoqiang; Chen, Caidong; Du, Shaoting; Dong, Ying

    2015-12-01

    The low volatility of ionic liquids effectively eliminates a major pathway for environmental release and contamination; however, the good solubility, low degree of environmental degradation and biodegradation of ILs may pose a potential threat to the aquatic environment. The growth inhibition of the green alga Scenedesmus obliquus by five 1-alkyl-3-methylimidazolium chloride ionic liquids (ILs) ([Cnmim]Cl, n=6, 8, 10, 12, 16) was investigated, and the effect on cellular membrane permeability and the ultrastructural morphology by ILs ([Cnmim]Cl, n=8, 12, 16) were studied. The results showed that the growth inhibition rate increased with increasing IL concentration and increasing alkyl chain lengths. The relative toxicity was determined to be [C6mim]Cl<[C8mim]Cl<[C10mim]Cl<[C12mim]Cl<[C16mim]Cl. The algae were most sensitive to imidazolium chloride ILs at 48 h according to the results from the growth inhibition rate and cellular membrane permeability tests. The ultrastructural morphology showed that the ILs had negative effects on the cellular morphology and structure of the algae. The cell wall of treated algae became wavy and separated from the cell membrane. Chloroplast grana lamellae became obscure and loose, osmiophilic material was deposited in the chloroplast, and mitochondria and their cristae swelled. Additionally, electron-dense deposits were observed in the vacuoles. PMID:26218552

  4. Biodegradation of imidazolium ionic liquids by activated sludge microorganisms.

    PubMed

    Liwarska-Bizukojc, Ewa; Maton, Cedric; Stevens, Christian V

    2015-11-01

    Biological properties of ionic liquids (ILs) have been usually tested with the help of standard biodegradation or ecotoxicity tests. So far, several articles on the identification of intermediate metabolites of microbiological decay of ILs have been published. Simultaneously, the number of novel ILs with unrecognized characteristics regarding biodegradability and effect on organisms and environment is still increasing. In this work, seven imidazolium ionic liquids of different chemical structure were studied. Three of them are 1-alkyl-3-methyl-imidazolium bromides, while the other four are tetra- or completely substituted imidazolium iodides. This study focused on the identification of intermediate metabolites of the aforementioned ionic liquids subjected to biodegradation in a laboratory activated sludge system. Both fully substituted ionic liquids and 1-ethyl-3-methyl-imidazolium bromide were barely biodegradable. In the case of two of them, no biotransformation products were detected. The elongation of the alkyl side chain made the IL more susceptible for microbiological decomposition. 1-Decyl-3-methyl-imidazolium bromide was biotransformed most easily. Its primary biodegradation up to 100 % could be achieved. Nevertheless, the cleavage of the imidazolium ring has not been observed. PMID:26463469

  5. Evaluation of interaction between imidazolium-based chloride ionic liquids and calf thymus DNA.

    PubMed

    Liu, Huijun; Dong, Ying; Wu, Jian; Chen, Caidong; Liu, Dingdong; Zhang, Qi; Du, Shaoting

    2016-10-01

    With ionic liquids (ILs) being widely used, the toxicity of many ILs has been studied and verified. However the mechanism underlying the interaction between ILs and DNA needs to be investigated. In this study, the interaction of three imidazolium-based ILs ([C8mim]Cl, [C12mim]Cl, and [C16mim]Cl) with calf thymus DNA (ctDNA) was investigated by UV absorption spectroscopy and fluorescence spectroscopy. An intense interaction between [Cnmim]Cl and ctDNA was observed, involving a hypochromic effect or even a hyperchromic effect, in the UV absorption spectrum of ctDNA at 260nm. The Tm of ctDNA increased over 10°C after binding with [Cnmim]Cl, and the KSV values of [Cnmim]Cl-ctDNA quenched by potassium iodide (KI) were lower than those of [Cnmim]Cl. The fluorescence intensity of ctDNA-ethidium bromide (EB) was gradually quenched as the [Cnmim]Cl concentration increased. The results indicated that ctDNA interacted with [Cnmim]Cl through an intercalation binding mode. The mechanism of fluorescence quenching of [Cnmim]Cl with ctDNA involved static quenching. The binding constant between [Cnmim]Cl and ctDNA were 1443, 11169, and 67189, and the number of binding sites were 0.89, 1.10, and 1.27 at 298K, for [C8mim]Cl, [C12mim]Cl, and [C16mim]Cl, respectively. The results indicated that the intercalation binding between the three [Cnmim]Cl and ctDNA increased with increasing IL-alkyl chain length. These results will aid in the understanding of the mechanism of toxicity and of the biologically mediated environmental processes of ILs. PMID:27203596

  6. Universal charge quenching and stability of proteins in 1-methyl-3-alkyl (hexyl/octyl) imidazolium chloride ionic liquid solutions.

    PubMed

    Rawat, Kamla; Bohidar, H B

    2012-09-13

    This study reports pH dependent stability of protein dispersions of five common proteins, bovine serum albumin (BSA), human serum albumin (HSA), immunoglobulin (IgG), β-lactoglobulin (β-Lg), and gelatin-B (Gel-B), all having isoelectric pH, pI ≈ 5, in room temperature ionic liquid solutions of 1-methyl-3-alkyl (hexyl/octyl) imidazolium chloride (concentration 0-0.2% w/v). Molecular hydrophobicity index, (H-index = hydrophobicity/hydrophilicity) of these molecules spanned the range 0.43-0.87. Electrophoretic characteristics, surface tension data and hydrodynamic size information revealed that IL solutions provide dispersion stability owing to specific protein-IL binding which did not alter their pI values though their surface charge was considerably screened. Change in maximum (ζ(max)) and minimum (ζ(min)) zeta potential values observed at pH ~3 (maximum protonated state) and pH ~8 (maximum deprotonated state) could be described universally as function of IL concentration, c as Δζ(x) = [1 - exp(-ac)] where Δζ(x) is either |(ζ(max) - ζ(w))|/ζ(w) or |(ζ(min) - ζ(w))|/ζ(w), and ζ(w) is the corresponding value in water. Tensiometry data showed two major stages of protein-IL interactions: (i) for c < cmc of IL, the IL molecules selectively bind with imidazolium cation through electrostatic forces forming protein-IL (complex) and (ii) for c> cmc free IL-aggregates begin to form. Similarly, we can define Δγ(x) as either |(γ(max) - γ(w))|/γ(w) at pH 3 or |(γ(min) - γ(w))|/γ(w) at pH 8. Both Δζ(x) and Δγ(x) showed linear dependence with c, Δγ(min, max) (or Δζ(min, max)) = (1 - K(γ) (or K(ζ)) H-index), where the slopes K(ζ) and K(γ) defined intermolecular interactions. Hydrodynamic radii data revealed protein stabilization, circular dichroism spectra implied retention of secondary structures, and Raman spectra confirmed a marginal increase in water structure. Results concluded that selective binding of IL molecules to protein surface in

  7. Properties of Apolar Solutes in Alkyl Imidazolium-Based Ionic Liquids: The Importance of Local Interactions.

    PubMed

    Lesch, Volker; Heuer, Andreas; Holm, Christian; Smiatek, Jens

    2016-02-01

    The solvation and the dynamic properties of apolar model solutes in alkyl imidazolium-based ionic liquids (IL) are studied by using all-atom molecular dynamics simulations. In regards to specific IL effects, we focused on the often used 1-ethyl-3-methyl imidazolium cation in combination with the anions tetrafluoroborate, acetate, and bis(trifluoromethanesulfonyl)imide. Our findings reveal that the size of the anion crucially influences the accumulation behavior of the cations, which results in modified IL solvation properties. Deviations between the different alkyl imidazolium-based IL combinations can be also observed with regard to the results for the radial distribution functions, the number of surrounding molecules, and the molecular orientation. The analysis of the van Hove function further shows pronounced differences in the dynamic behavior of the solutes. The simulations verify that the solute mobilities are mainly influenced by the composition of the local solvent shell and the properties of the underlying Lennard-Jones interactions. Additional simulations with regard to modified short-range dispersion energies for alkyl imidazolium-based ILs validate our conclusions. PMID:26639367

  8. Theoretical study of the reaction of chitosan monomer with 2,3-epoxypropyl-trimethyl quaternary ammonium chloride catalyzed by an imidazolium-based ionic liquid.

    PubMed

    Mu, Xueli; Yang, Xiaodeng; Zhang, Dongju; Liu, Chengbu

    2016-08-01

    The molecular mechanism of the graft reaction of 2,3-epoxypropyl-trimethyl quaternary ammonium chloride with chitosan monomer was investigated by performing density functional theory (DFT) calculations. The calculated results show that the -NH2 group of chitosan monomer is more reactive than its -OH and -CH2OH groups, and the graft reaction on the -NH2 group is calculated to be exothermic by 20.5kcal/mol with a free energy barrier of 42.6kcal/mol. The reaction cannot benefit from the presence of the intruded water molecule, but can be considerably assisted by 1-allyl-3-methylimidazolium chloride ([Amim]Cl) ionic liquid. The reaction catalyzed by the ion-pair is calculated to be exothermic by 36.5kcal/mol and the barrier is reduced to 29.3kcal/mol, which are further corrected to 28.0 and 29.1kcal/mol by considering the solvent effect of [Amim]Cl ionic liquid. Calculated results verified the experimental finding that imidazolium-based ionic liquids can promote the reaction of chitosan with epoxy compounds. PMID:27112849

  9. Dialkylimidazolium chloroaluminates: Ab initio calculations, Raman and neutron scattering measurements

    SciTech Connect

    Takahasi, S. ); Curtiss, L.A.; Gosztola, D.; Koura, N. ); Loong, C.K.; Saboungi, M.L. . Materials Science Div.)

    1993-04-01

    The Raman and neutron scattering spectra of 46 mol% AlCl[sub 3] -54 mol% 1-ethyl-3-methyl imidazolium chloride (EMIC) and 67 mol% AlCl[sub 3] - 33 mol% EMIC melts are presented. Ab initio molecular orbital calculations have been carried out on structures of chloroaluminate anion and EMI cation and the interaction between anion and cation.

  10. Solvation of sodium chloride in the 1-butyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide ionic liquid: a molecular dynamics study.

    PubMed

    Sieffert, Nicolas; Wipff, Georges

    2007-06-28

    We report molecular dynamics studies on the solvation of sodium chloride in the 1-butyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide ionic liquid ([BMI][Tf2N] IL). We first consider the potential of mean force for dissociating a single Na+Cl- ion pair, showing that the latter prefers to be undissociated rather than dissociated (by ca. 9 kcal/mol), with a free energy barrier of ca. 5 kcal/mol (at d approximately 5.2 A) for the association process. The preference for Na+Cl- association is also observed from a 100 ns molecular dynamics simulation of a concentrated solution, where the Na+Cl- ions tend to form oligomers and microcrystals in the IL. Conversely, the simulation of Na13Cl14- and Na14Cl13+ cubic microcrystals (with, respectively, Cl- and Na+ at the vertices) does not lead to dissolution in the IL. Among these, Na14Cl13+ is found to be better solvated than Na13Cl14-, mainly due to the stronger Na+...Tf2N- interactions as compared to the Cl-...BMI+ interactions at the vertices of the cube. We finally consider the solid/liquid interface between the 100 face of NaCl and the IL, revealing that, in spite of its polar nature, the crystal surface is solvated by the less polar IL components (CF3(Tf2N) and butyl(BMI) groups) rather than by the polar ones (O(Tf2N) and imidazolium(BMI) ring). Specific ordering at the interface is described for both Tf2N- anions and BMI+ cations. In the first IL layer, the ions are rather parallel to the surface, whereas in the second "layer" they are more perpendicular. A similar IL structure is found at the surface of the all-neutral Na0Cl0 solid analogue, confirming that the solvation of the crystal is rather "apolar", due to the mismatch between the IL and the crystal ions. Several comparisons with water, methanol, or different BMI+-based ILs as solvents are presented, allowing us to better understand the specificity of the ionic liquid-NaCl interactions. PMID:17550283

  11. Thermodynamical and structural properties of binary mixtures of imidazolium chloride ionic liquids and alcohols from molecular simulation

    NASA Astrophysics Data System (ADS)

    Raabe, Gabriele; Köhler, Jürgen

    2008-10-01

    We have performed molecular dynamics simulations to determine the densities, excess energies of mixing, and structural properties of binary mixtures of the 1-alkyl-3-methylimidazolium chloride ionic liquids (ILs) [amim][Cl] and ethanol and 1-propanol in the temperature range from 298.15to363.15K. As in our previous work [J. Chem. Phys. 128, 154509 (2008)], our simulation studies are based on a united atom model from Liu et al. [Phys. Chem. Chem. Phys. 8, 1096 (2006)] for the 1-ethyl- and 1-butyl-3-methylimidazolium cations [emim+] and [bmim+], which we have extended to the 1-hexyl-3-methylimidazolium [hmim+] cation and combined with parameters of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] for the chloride anion [Cl-] and the force field by Khare et al. for the alcohols [J. Phys. Chem. B 108, 10071 (2004)]. With this, we provide both prediction for the densities of the mixtures that have mostly not been investigated experimentally yet and a molecular picture of the interactions between the alcohol molecules and the ions. The negative excess energies of all mixtures indicate an energetically favorable mixing of [amim][Cl] ILs and alcohols. To gain insight into the nonideality of the mixtures on the molecular level, we analyzed their local structures by radial and spatial distribution functions. These analyses show that the local ordering in these mixtures is determined by strong hydrogen-bond interactions between the chloride anion and the hydroxyls of the alcohols, enhanced interactions between the anion and the charged domain of the cation, and an increasing aggregation of the nonpolar alkyl tails of the alcohols and the cations with increasing cation size, which results in a segregation of polar and nonpolar domains.

  12. Biological responses of Vicia faba seedlings to the imidazolium-based ionic liquid 1-hexyl-3-methylimidazolium chloride in soil.

    PubMed

    Liu, Tong; Wang, Jinhua; Wang, Jun; Zhu, Lusheng; Zhang, Jun

    2016-06-01

    Although there are a few studies on the toxicity of ionic liquids (ILs), relatively little is known about their toxic effects on plants in soil. In the present study, the toxic effects of 1-hexyl-3-methylimidazolium chloride ([Hmim]Cl) in the soil on Vicia faba seedlings and the influences of [Hmim]Cl on the physicochemical properties of the soil were studied. Organic matter content, pH, and conductivity of the tested soil were significantly altered at [Hmim]Cl concentrations greater than 1000 mg kg(-1) . Moreover, shoot length, root length, dry weight, and pigment content of the V. faba seedlings were greatly inhibited when the [Hmim]Cl concentration was greater than 500 mg kg(-1) . The roots were the most seriously affected organ and stopped growing at 3000 mg kg(-1) . In addition, [Hmim]Cl caused an increase in the level of reactive oxygen species at [Hmim]Cl concentrations above 250 mg kg(-1) that resulted in lipid peroxidation, DNA damage, and oxidative stress in the V. faba seedlings. The present study provides information that is useful for evaluation of the environmental safety of ILs in soil. Environ Toxicol Chem 2016;35:1502-1510. © 2015 SETAC. PMID:26517735

  13. Direct Synthesis of Imidazolium-Functional Polyethylene by Insertion Copolymerization.

    PubMed

    Jian, Zhongbao; Leicht, Hannes; Mecking, Stefan

    2016-06-01

    Cationic imidazolium-functionalized polyethylene is accessible by insertion copolymerization of ethylene and allyl imidazolium tetrafluoroborate (AIm-BF4 ) with phosphinesulfonato palladium(II) catalyst precursors. Imidazolium-substituted repeat units are incorporated into the main chain and the initiating saturated chain end of the linear polymers, rather than the terminating unsaturated chain end. The counterion of the allyl imidazolium monomer is decisive, with the chloride analogue (AIm-Cl) no polymerization is observed. Stoichiometric studies reveal the formation of an inactive chloride complex from the catalyst precursor. An effect of moderate densities (0.5 mol%) of ionic groups on the copolymers' physical properties is exemplified by an enhanced wetting by water. PMID:27111477

  14. Synthesis, X-ray structure analysis and density functional study of an unusual anhydrous 5,6-dimethylbenzo-1,3-imidazolium(H3) chloride

    NASA Astrophysics Data System (ADS)

    Tamasi, Gabriella; Carpini, Alice; Valensin, Daniela; Cini, Renzo

    2015-01-01

    The heteroaromatic base 5,6-dimethylbenzo-1,3-imidazole (DMBI) proved to be a Brönsted base in an anhydrous ethanol solution, which contained fac,trans-[Ru(CO)3Cl2]2 at 55 °C in air when the DMBI:Ru molar ratio was 2:1. The reaction produced colorless anhydrous single crystals of {(HDMBI)+Cl-}, C9H11ClN2, which were collected and analyzed using X-ray diffraction (XRD) techniques. A network of N-H⋯Cl hydrogen bond type interactions linking the protonated hetero-aromatic base to the chloride anions (bridging bases) stabilizes the crystal and mimics the N-H⋯Cl- interactions that play important roles in CCl channel biological systems. The shortest N⋯Cl contact distance and corresponding N-H⋯Cl angle are 3.073(3) Å and 173(3)°, respectively. The packing is also assisted by weaker C-H⋯Cl- hydrogen bond-type interactions and an extensive network of π⋯π stacking interactions involving HDMBI+ cations. Density functional calculations at the B3LYP/6-31G∗∗ and /6-311++G∗∗ levels for models of fragments of the crystal structure allowed for the evaluation of geometric parameters, hydrogen bond-type interaction formation energies, and infrared parameters for {(HDMBI)+Cl-} and {(HDMBI)+⋯Cl-⋯(HDMBI)+}.

  15. Synthesis and antimicrobial properties of imidazolium and pyrrolidinonium salts.

    PubMed

    Demberelnyamba, D; Kim, Ki-Sub; Choi, Sukjeong; Park, Seung-Yeob; Lee, Huen; Kim, Chang-Jin; Yoo, Ick-Dong

    2004-03-01

    For the purpose of developing new disinfectants and antiseptics, we searched for compounds having high bactericidal activity against gram-positive bacteria, gram-negative bacteria, and fungi. Three different series of quaternary imidazolium and pyrrolidinonium salts were synthesized: series A (1-alkyl-3-methylimidazolium chlorides and bromides); series B (1-alkyl-2-methyl-3-hydroxyethylimidazolium chlorides); and series C (N-alkyl-N-hydroxyethylpyrrolidinonium). Series B and C were newly designed. These three series were tested to evaluate their antibacterial and antifungal properties for the first time. Seven microbial strains were used in the study: Escherichia coli KCTC1924, Salmonella typhimurium KCTC1926, Staphylococcus aureus 209 KCTC1916, Staphylococcus aureus R209 KCTC1928, Bacillus subtilis KCTC1914, Candida albicans KCTC1940, and Chlorella regularis. The antimicrobial efficiency was measured by bacterial and fungal growth inhibition expressed as minimal inhibitory concentration (MIC) values. Series A and B imidazolium salts had very good antimicrobial activity against the examined Gram-negative bacteria, Gram-positive bacteria, and fungi. Also the pyrrolidinonium salt was found to have low MIC for some of tested microorganisms. The antibacterial and antifungal active properties of the salts depend upon the structure of functional groups and the alkyl chain length in the imidazolium and pyrrolidinonium ring. Among the synthesized quaternary imidazolium and pyrrolidinonium salts, the imidazolium salts containing a long alkyl chain and the introduction of a hydroxyethyl chain and methyl group into the imidazolium ring structure leads to broad spectrum active antimicrobial agents which not only have bacteriostatic properties but could be powerful bactericides. PMID:14980596

  16. Surfactant properties of ionic liquids containing short alkyl chain imidazolium cations and ibuprofenate anions.

    PubMed

    Tourné-Péteilh, Corine; Devoisselle, Jean-Marie; Vioux, André; Judeinstein, Patrick; In, Martin; Viau, Lydie

    2011-09-14

    Interfacial tension, electrical conductivity, NMR self-diffusion and DLS experiments have been used to investigate the self-aggregation in water of ionic liquids associating an ibuprofenate anion and 1-alkyl-3-methylimidazolium [C(n)MIm](+) (n = 4, 6, 8) cations. Despite the short alkyl chain on imidazolium cations (n ≤ 8), these ionic liquids exhibit particularly low Critical Aggregation Concentrations (CAC), significantly lower than their parent 1-alkyl-3-methylimidazolium chloride salts. This behaviour is attributed to the formation of catanionic pairs between ibuprofenate and imidazolium. PMID:21799958

  17. Imidazolium-Based Polymeric Materials as Alkaline Anion-Exchange Fuel Cell Membranes

    NASA Technical Reports Server (NTRS)

    Narayan, Sri R.; Yen, Shiao-Ping S.; Reddy, Prakash V.; Nair, Nanditha

    2012-01-01

    Polymer electrolyte membranes that conduct hydroxide ions have potential use in fuel cells. A variety of polystyrene-based quaternary ammonium hydroxides have been reported as anion exchange fuel cell membranes. However, the hydrolytic stability and conductivity of the commercially available membranes are not adequate to meet the requirements of fuel cell applications. When compared with commercially available membranes, polystyrene-imidazolium alkaline membrane electrolytes are more stable and more highly conducting. At the time of this reporting, this has been the first such usage for imidazolium-based polymeric materials for fuel cells. Imidazolium salts are known to be electrochemically stable over wide potential ranges. By controlling the relative ratio of imidazolium groups in polystyrene-imidazolium salts, their physiochemical properties could be modulated. Alkaline anion exchange membranes based on polystyrene-imidazolium hydroxide materials have been developed. The first step was to synthesize the poly(styrene-co-(1-((4-vinyl)methyl)-3- methylimidazolium) chloride through a free-radical polymerization. Casting of this material followed by in situ treatment of the membranes with sodium hydroxide solutions provided the corresponding hydroxide salts. Various ratios of the monomers 4-chloromoethylvinylbenzine (CMVB) and vinylbenzine (VB) provided various compositions of the polymer. The preferred material, due to the relative ease of casting the film, and its relatively low hygroscopic nature, was a 2:1 ratio of CMVB to VB. Testing confirmed that at room temperature, the new membranes outperformed commercially available membranes by a large margin. With fuel cells now in use at NASA and in transportation, and with defense potential, any improvement to fuel cell efficiency is a significant development.

  18. Multitask Imidazolium Salt Additives for Innovative Poly(l-lactide) Biomaterials: Morphology Control, Candida spp. Biofilm Inhibition, Human Mesenchymal Stem Cell Biocompatibility, and Skin Tolerance.

    PubMed

    Schrekker, Clarissa M L; Sokolovicz, Yuri C A; Raucci, Maria G; Selukar, Balaji S; Klitzke, Joice S; Lopes, William; Leal, Claudio A M; de Souza, Igor O P; Galland, Griselda B; Dos Santos, João Henrique Z; Mauler, Raquel S; Kol, Moshe; Dagorne, Samuel; Ambrosio, Luigi; Teixeira, Mário L; Morais, Jonder; Landers, Richard; Fuentefria, Alexandre M; Schrekker, Henri S

    2016-08-24

    Candida species have great ability to colonize and form biofilms on medical devices, causing infections in human hosts. In this study, poly(l-lactide) films with different imidazolium salt (1-n-hexadecyl-3-methylimidazolium chloride (C16MImCl) and 1-n-hexadecyl-3-methylimidazolium methanesulfonate (C16MImMeS)) contents were prepared, using the solvent casting process. Poly(l-lactide)-imidazolium salt films were obtained with different surface morphologies (spherical and directional), and the presence of the imidazolium salt in the surface was confirmed. These films with different concentrations of the imidazolium salts C16MImCl and C16MImMeS presented antibiofilm activity against isolates of Candida tropicalis, Candida parapsilosis, and Candida albicans. The minor antibiofilm concentration assay enabled one to determine that an increasing imidazolium salt content promoted, in general, an increase in the inhibition percentage of biofilm formation. Scanning electron microscopy micrographs confirmed the effective prevention of biofilm formation on the imidazolium salt containing biomaterials. Lower concentrations of the imidazolium salts showed no cytotoxicity, and the poly(l-lactide)-imidazolium salt films presented good cell adhesion and proliferation percentages with human mesenchymal stem cells. Furthermore, no acute microscopic lesions were identified in the histopathological evaluation after contact between the films and pig ear skin. In combination with the good morphological, physicochemical, and mechanical properties, these poly(l-lactide)-based materials with imidazolium salt additives can be considered as promising biomaterials for use in the manufacturing of medical devices. PMID:27486827

  19. Prediction of antifungal activity of gemini imidazolium compounds.

    PubMed

    Pałkowski, Łukasz; Błaszczyński, Jerzy; Skrzypczak, Andrzej; Błaszczak, Jan; Nowaczyk, Alicja; Wróblewska, Joanna; Kożuszko, Sylwia; Gospodarek, Eugenia; Słowiński, Roman; Krysiński, Jerzy

    2015-01-01

    The progress of antimicrobial therapy contributes to the development of strains of fungi resistant to antimicrobial drugs. Since cationic surfactants have been described as good antifungals, we present a SAR study of a novel homologous series of 140 bis-quaternary imidazolium chlorides and analyze them with respect to their biological activity against Candida albicans as one of the major opportunistic pathogens causing a wide spectrum of diseases in human beings. We characterize a set of features of these compounds, concerning their structure, molecular descriptors, and surface active properties. SAR study was conducted with the help of the Dominance-Based Rough Set Approach (DRSA), which involves identification of relevant features and relevant combinations of features being in strong relationship with a high antifungal activity of the compounds. The SAR study shows, moreover, that the antifungal activity is dependent on the type of substituents and their position at the chloride moiety, as well as on the surface active properties of the compounds. We also show that molecular descriptors MlogP, HOMO-LUMO gap, total structure connectivity index, and Wiener index may be useful in prediction of antifungal activity of new chemical compounds. PMID:25961015

  20. Prediction of Antifungal Activity of Gemini Imidazolium Compounds

    PubMed Central

    Pałkowski, Łukasz; Błaszczyński, Jerzy; Skrzypczak, Andrzej; Błaszczak, Jan; Nowaczyk, Alicja; Wróblewska, Joanna; Kożuszko, Sylwia; Gospodarek, Eugenia; Słowiński, Roman; Krysiński, Jerzy

    2015-01-01

    The progress of antimicrobial therapy contributes to the development of strains of fungi resistant to antimicrobial drugs. Since cationic surfactants have been described as good antifungals, we present a SAR study of a novel homologous series of 140 bis-quaternary imidazolium chlorides and analyze them with respect to their biological activity against Candida albicans as one of the major opportunistic pathogens causing a wide spectrum of diseases in human beings. We characterize a set of features of these compounds, concerning their structure, molecular descriptors, and surface active properties. SAR study was conducted with the help of the Dominance-Based Rough Set Approach (DRSA), which involves identification of relevant features and relevant combinations of features being in strong relationship with a high antifungal activity of the compounds. The SAR study shows, moreover, that the antifungal activity is dependent on the type of substituents and their position at the chloride moiety, as well as on the surface active properties of the compounds. We also show that molecular descriptors MlogP, HOMO-LUMO gap, total structure connectivity index, and Wiener index may be useful in prediction of antifungal activity of new chemical compounds. PMID:25961015

  1. Carbene formation upon reactive dissolution of metal oxides in imidazolium ionic liquids.

    PubMed

    Wellens, Sil; Brooks, Neil R; Thijs, Ben; Meervelt, Luc Van; Binnemans, Koen

    2014-03-01

    Metal oxides were found to dissolve in different imidazolium ionic liquids with a hydrogen atom in the C2 position of the imidazolium ring, but not if a methyl substituent was present in the C2 position. The crystal structure of the product that crystallised from an ionic liquid containing dissolved silver(i) oxide showed that this was a silver(i) carbene complex. The presence of carbenes in solution was proven by (13)C NMR spectroscopy and the reactions were also monitored by Raman spectroscopy. The dissolution of other metal oxides, namely copper(ii) oxide, zinc(ii) oxide and nickel(ii) oxide, was also studied in imidazolium ionic liquids and it was found that stable zinc(ii) carbenes were formed in solution, but these did not crystallise under the given experimental conditions. A crystalline nickel(ii) carbene complex could be obtained from a solution of nickel(ii) chloride dissolved in a mixture of 1-butyl-3-methylimidazolium and 1-ethyl-3-methylimidazolium acetate. PMID:24390601

  2. A semi-rational approach to obtain an ionic liquid tolerant bacterial laccase through π-type interactions.

    PubMed

    Dabirmanesh, Bahareh; Khajeh, Khosro; Ghazi, Farideh; Ranjbar, Bijan; Etezad, Seyed-Masoud

    2015-08-01

    Laccases are particularly promising enzymes for biotechnology and bioremediation purposes. They are among the most effective enzymes capable of catalyzing the degradation of phenolic compounds with poor water solubility. The technological utility of lacasses can be enhanced greatly by their use in ionic liquids rather than in conventional organic solvents or in their natural aqueous reaction media. In the current study, a laccase from Bacillus HR03 has been engineered through a semi rational method. By screening a library of 450 clones, Glu188Tyr and Glu188Phe showed a distinct improvement in thermal stability and ionic liquid tolerance. In comparison with the wild type, selected mutants exhibited higher kcat/Km against ABTS in the imidazolium based ionic liquids, (1-ethyl-3-methyl imidazolium chloride [EMIm][Cl], butyl-3-methyl imidazolium chloride [BMIm][Cl] and hexyl-3-methyl imidazolium chloride [HMIm][Cl]). Glu188Tyr had a catalytic efficiency, two times greater when compared to the wild type in [HMIm][Cl]. Far-UV circular dichroism (CD) exhibited no significant changes in the secondary structure of the mutants and wild type. Glu188Tyr revealed a more compact structure using Near-UV CD and fluorescence spectroscopy that could account for its high thermal stability. According to bioinformatic analysis, π-π and anion-π interactions played the dominant role in stabilizing both variants. PMID:26054663

  3. Optimized Syntheses of Cyclopentadienyl Nickel Chloride Compounds Containing "N"-Heterocyclic Carbene Ligands for Short Laboratory Periods

    ERIC Educational Resources Information Center

    Cooke, Jason; Lightbody, Owen C.

    2011-01-01

    Experiments are described for the preparation of imidazolium chloride precursors to "N"-heterocyclic carbenes and their cyclopentadienyl nickel chloride derivatives. The syntheses have been optimized for second- and third-year undergraduate laboratories that have a maximum programmed length of three hours per week. The experiments are flexible and…

  4. Ionic Liquid-Derived Imidazolium Cation Linkers for the Layer-by-Layer Assembly of Polyoxometalate-MWCNT Composite Electrodes with High Power Capability.

    PubMed

    Genovese, Matthew; Lian, Keryn

    2016-07-27

    Imidazolium cations derived from ionic liquids were demonstrated as effective linker molecules for the layer-by-layer (LbL) deposition of polyoxometalates (POMs) to increase the charge storage of multi-walled carbon nanotube (MWCNT) electrodes. MWCNTs modified with GeMo12O40(4-) (GeMo12) via an imidazolium cation linker demonstrated highly reversible redox reactions and a capacitance of 84 F cm(-3), close to 4 times larger than bare CNT. Compared to CNT-GeMo12 composites fabricated with a conventional polyelectrolyte linker poly(diallyldimethylammonium chloride), (PDDA), the imidazolium cations resulted in lower POM loading, but higher conductivity and in turn superior performance at fast charge-discharge conditions. A polymerized imidazolium linker (PIL) was also synthesized based on the ethyl-vinyl-imidazolium monomer. CNT-GeMo12 composites fabricated with this PIL achieved high POM loading comparable to PDDA, while still maintaining the good conductivity and high rate capabilities shown by the monomer imidazolium units. The high conductivity imparted by the PIL is especially valuable for the fabrication of multilayer POM composites. Dual-layer GeMo12 O40(4-)-SiMo12O40(4-) (GeMo12-SiMo12) electrodes built with this PIL demonstrated a combined contribution of the individual POMs resulting in a capacitance of 191 F cm(-3), over nine times larger than bare MWCNT. The PIL dual layer composites also maintained 72% of this capacitance at a fast rate of 2 V s(-1), compared to just over 50% retention for similar electrodes fabricated with PDDA. PMID:27384442

  5. A conformational change in the peripheral anionic site of Torpedo californica acetylcholinesterase induced by a bis-imidazolium oxime.

    PubMed

    Legler, Patricia M; Soojhawon, Iswarduth; Millard, Charles B

    2015-09-01

    As part of ongoing efforts to design improved nerve agent antidotes, two X-ray crystal structures of Torpedo californica acetylcholinesterase (TcAChE) bound to the bis-pyridinium oxime, Ortho-7, or its experimental bis-imidazolium analogue, 2BIM-7, were determined. Bis-oximes contain two oxime groups connected by a hydrophobic linker. One oxime group of Ortho-7 binds at the entrance to the active-site gorge near Trp279, and the second binds at the bottom near Trp84 and Phe330. In the Ortho-7-TcAChE complex the oxime at the bottom of the gorge was directed towards the nucleophilic Ser200. In contrast, the oxime group of 2BIM-7 was rotated away from Ser200 and the oxime at the entrance induced a significant conformational change in the peripheral anionic site (PAS) residue Trp279. The conformational change alters the surface of the PAS and positions the imidazolium oxime of 2BIM-7 further from Ser200. The relatively weaker binding and poorer reactivation of VX-inhibited, tabun-inhibited or sarin-inhibited human acetylcholinesterase by 2BIM-7 compared with Ortho-7 may in part be owing to the unproductively bound states caught in crystallo. Overall, the reactivation efficiency of 2BIM-7 was comparable to that of 2-pyridine aldoxime methyl chloride (2-PAM), but unlike 2-PAM the bis-imidazolium oxime lacks a fixed charge, which may affect its membrane permeability. PMID:26327369

  6. The effect of cation structure on the mesophase architecture of self-assembled and polymerized imidazolium-based ionic liquids.

    SciTech Connect

    Batra, D.; Seifert, S.; Firestone, M. A.; Materials Science Division

    2007-01-01

    The binary phase behavior of a series of imidazolium-based ionic liquids (ILs) has been investigated. In particular, the effect of two structural modifications of the imidazolium cation, alkyl chain length, and the introduction of a polymerizable acryloyl group at the alkyl chain terminus, has been studied using small angle X-ray scattering. Upon increasing water content, the non-polymerizable IL, 1-decyl-3-methylimidazolium chloride, adopts mesophase structures of predominately two-dimensional (2D) hexagonal symmetry, including structures intermediate in character between lamellae and 2D hexagonal micelles. Introduction of a photopolymerizable acryloyl functional group to form 1-(10-(acryloyloxy)decyl)-3-methylimidazolium chloride produces a rod-coil IL cation that yields self-assembled mesophases in which the formation of tetragonal morphologies is favored. Covalent linking of the IL cations by UV-induced polymerization converts the lyotropic mesophase into three-dimensional biocontinuous chemical gels. Reducing the alkyl chain length, as in the polymerizable IL cation 1-(8-(acryloyloxy)octyl)-3-methylimidazolium chloride, severely reduces the self-assembled mesophase order, and triggers the formation of only weakly ordered one-dimensional lamellar structures.

  7. Revisiting ether-derivatized imidazolium-based ionic liquids.

    PubMed

    Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E; Katsyuba, Sergey A; Dyson, Paul J

    2007-08-30

    A series of ether-derivatized imidazolium halides have been prepared and characterized. Contrary to literature reports, they are all crystalline solids and have melting points well above room temperature (50-100 degrees C). Single crystals of the imidazolium salts, obtained in situ by slow cooling from their molten state to room temperature, were analyzed by X-ray crystallography, revealing various anion-cation interactions in the solid state. Exchange of the halides with [Tf(2)N]- yielded room temperature ionic liquids with viscosities that are comparable to related 1-alkyl-3-methylimidazolium ionic liquids. Density functional theory combined with IR spectroscopy has been used to analyze the role of functionalization of the imidazolium side chain on the formation of the molecular and supramolecular structure of the compounds and its possible impact on their physical properties. PMID:17676796

  8. Employing ionic liquids to deposit cellulose on PET fibers.

    PubMed

    Textor, Torsten; Derksen, Leonie; Gutmann, Jochen S

    2016-08-01

    Several ionic liquids are excellent solvents for cellulose. Starting from that finishing of PET fabrics with cellulose dissolved in ionic liquids like 1-ethyl-3-methyl imidazolium acetate, diethylphosphate and chloride, or the chloride of butyl-methyl imidazolium has been investigated. Finishing has been carried out from solutions of different concentrations, using microcrystalline cellulose or cotton and by employing different cross-linkers. Viscosity of solutions has been investigated for different ionic liquids, concentrations, cellulose sources, linkers and temperatures. Since ionic liquids exhibit no vapor pressure, simple pad-dry-cure processes are excluded. Before drying the ionic liquid has to be removed by a rinsing step. Accordingly rinsing with fresh ionic liquid followed by water or the direct rinsing with water have been tested. The amount of cellulose deposited has been investigated by gravimetry, zinc chloride iodine test as well as reactive dyeing. Results concerning wettability, water up-take, surface resistance, wear-resistance or washing stability are presented. PMID:27112860

  9. Wetting behavior of imidazolium-containing, room-temperature molten salt. Technical report, 11 June 28-August 1984

    SciTech Connect

    Eberhart, J.G.

    1984-08-28

    A room-temperature, molten-salt system composed of 1-methyl-3-ethylimidazolium chloride plus aluminum chloride has been developed and extensively studied over the last few years. The most promising application of this liquid mixture is as a battery electrolyte, and for this reason a study was undertaken of the wettability of various candidate battery component materials by the molten salt. Advancing and receding contact angles were determined for the binary melt as a function of such variables as mixture composition, chlorination of the imidazolium ion, replacement of AlCl3 by LiCl, solid porosity, and solid surface cleaning procedure. Measurements were also made of the surface tension of the melt at one basic composition. Surface tension data was helpful in understanding the composition dependence of melt wetting behavior.

  10. Syntheses, characterization and energetic properties of closo-(B12H12)2- salts of imidazolium derivatives.

    PubMed

    Hanumantha Rao, Muddamarri; Muralidharan, Krishnamurthi

    2013-06-28

    The diimidazolium derivative of acetylene and its salt 3,3'-(but-2-yne-1,4-diyl)bis(1-methyl-1H-imidazol-3-ium)chloride (1) was synthesized by a solvent free sonochemical method and then the counter chloride ions were replaced by closo-dodecaborate [(B12H12)(2-)] and perchlorate (ClO4(-)) anions respectively. Along with these two ionic salts, a series of salts with closo-dodecaborate and alkyl imidazolium cations were also synthesized. All the compounds were characterized by NMR and MASS spectral data, elemental analyses and thermogravimetric analyses. In addition to that enthalpy of combustion, enthalpy of formation and heat of explosion of all the compounds were experimentally determined. Based on the properties of these compounds, they can be used as insensitive energetic materials in various fields in propellant research and technology such as solid rocket propellants and burn rate accelerators. PMID:23653071

  11. Charge trapping in imidazolium ionic liquids.

    PubMed

    Shkrob, Ilya A; Wishart, James F

    2009-04-23

    Room-temperature ionic liquids (ILs) are a promising class of solvents for applications ranging from photovoltaics to solvent extractions. Some of these applications involve the exposure of the ILs to ionizing radiation, which stimulates interest in their radiation and photo- chemistry. In the case of ILs consisting of 1,3-dialkylimidazolium cations and hydrophobic anions, ionization, charge transfer and redox reactions yield charge-trapped species thought to be radicals resulting from neutralization of the constituent ions. Using computational chemistry methods and the recent results on electron spin resonance (ESR) and transient absorption spectroscopy of the ionized ILs, we argue that electron localization in the imidazolium ILs yields a gauche dimer radical cation with the elongated C(2)-C(2) bond. This species is shown to absorb in the near-infrared and the visible regions and accounts for the observed ESR spectra. We suggest that the excess electron in these aromatic ILs is localized as such a dimeric ion, and consider the chemical implications of this attribution. We also suggest that three-electron N-N bonding with the formation of a dimer radical anion occurs for amide anions, such as dicyanamide, when the parent anion traps holes; steric hindrance prevents the analogous reaction for bis(triflyl)amide anion. For another anion of practical importance, bis(oxalato)borate, a pathway involving the elimination of CO(2) is suggested. Together, these results indicate the unanticipated tendency of the ILs to localize primary charges as radical ions as opposed to neutral radicals. Thus, it appears that secondary chemistry in the ionized ILs may be dominated by radical ion reactions, similarly to the previously studied conventional organic liquids, depending on the composition of the IL. PMID:19323543

  12. Versatile cation transport in imidazolium based polymerized ionic liquids

    NASA Astrophysics Data System (ADS)

    Evans, Christopher; Segalman, Rachel

    Polymerized ionic liquids (PIL) with tethered imidazolium groups are able to conduct a diverse array of cations relevant for energy applications. The well-known complexation of imidazolium with transition metals is exploited to bind ions such as H +, Li+, Cu2+, and Ni2+ by doping the neutral PIL with the appropriate Cation-TFSI- salt. Conductivities were first determined via AC impedance indicating that H+ salts lead to the highest conductivity (due to low ion mass and potential Grotthus mechanism) followed by Cu2+, Li+, Ag+, and Ni2+. The equilibrium constant for imidazolium complexation is larger for Cu2+ relative to Li-, Ag-, and Ni-imidazolium complexes leading to greater salt dissociation and higher conductivities. For LiTFSI and CuTFSI2 salts, metallic lithium or copper electrodes were employed in battery cells to pass a steady DC current and confirm that the cations are in fact carrying current. Interestingly, the divalent Cu2+ also ionically crosslinks the polymer leading to a plateau in the viscosity. Thus, divalent ions provide an unique route to high conductivity, high modulus polymeric electrolytes. Future studies involving ZnTFSI2 and MgTFSI2 for battery applications are proposed to examine how versatile the PIL platform is for cation transport.

  13. Selective quenching of 2-naphtholate fluorescence by imidazolium ionic liquids.

    PubMed

    Kumar, Vinod; Pandey, Siddharth

    2012-10-01

    The effect of addition of water-miscible ionic liquids (ILs), 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF(4)]), 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([bmim][OTf]), and 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate ([bmpyrr][OTf]), on photophysical properties of 2-naphthol in water at various pHs is reported. Electronic absorbance behavior of 2-naphthol dissolved in aqueous mixtures of ILs is observed to be similar to that found in water at different pHs. The excited-state properties, however, are changed dramatically as the IL is added to the milieu. The presence of imidazolium IL results in significant quenching of the fluorescence emission from 2-naphtholate. On the contrary, pyrrolidinium IL does not quench the fluorescence from the anionic species. The quenching of 2-naphtholate fluorescence by aromatic imidazolium cations in aqueous IL mixtures is found to follow simple Stern-Volmer behavior. The aromatic imidazolium cation acts as an electron/charge acceptor during the quenching process where formation of a weakly fluorescent complex between the imidazolium cation and the excited 2-naphtholate anion possibly involving the acidic C2 proton of imidazolium is proposed. Because of the absence of such an acidic proton, the nonaromatic pyrrolidinium cation is not able to form a complex with the excited 2-naphtholate and cannot act as an electron/charge acceptor. Excited-state emission intensity decay data further corroborate this hypothesis as the intensity decay fits well to a single-exponential decay with no change in recovered lifetimes as [bmpyrr][OTf] is added; a double-exponential decay is required to satisfactorily fit the decay data in the presence of [bmim][BF(4)], hinting at the presence of a weakly fluorescent complex. The uniqueness of ILs in affecting excited-state properties of the 2-naphthol system is demonstrated through comparison with NaBF(4), NaCl, and polyethylene glycol with an average molecular weight of

  14. Chloride Test

    MedlinePlus

    ... Addison disease, or increased salt intake. If both chloride and sodium levels are high in a person on a ... anything else I should know? Drugs that affect sodium blood levels will also cause changes in chloride. In addition, swallowing large amounts of baking soda ...

  15. Small nickel nanoparticle arrays from long chain imidazolium ionic liquids

    SciTech Connect

    Yang, Mei; Campbell, Paul S.; Santini, Catherine C.; Mudring, Anja -Verena

    2013-11-08

    A series of six long chain alkyl mono- and bi-cationic imidazolium based salts with bis(trifluoromethylsulfonyl)imide (NTf2–) as the anion were synthesized and characterized. Single crystal structure of 1-methyl-3-octadecylimidazolium bis(trifluoromethylsulfonyl)imide could be obtained by X-ray analysis. All these long chain alkyl imidazolium based ILs were applied in the synthesis of nickel nanoparticles via chemical decomposition of an organometallic precursor of nickel. In these media, spontaneous decomposition of Ni(COD)2 (COD = 1,5-cyclooctadiene) in the absence of H2 occurred giving small NPs (≤4 nm) with narrow size distributions. Interestingly, formation of regularly interspaced NP arrays was also observed in long chain ILs. Lastly, such array formation could be interesting for potential applications such as carbon nanotube growth.

  16. Small nickel nanoparticle arrays from long chain imidazolium ionic liquids

    DOE PAGESBeta

    Yang, Mei; Campbell, Paul S.; Santini, Catherine C.; Mudring, Anja -Verena

    2013-11-08

    A series of six long chain alkyl mono- and bi-cationic imidazolium based salts with bis(trifluoromethylsulfonyl)imide (NTf2–) as the anion were synthesized and characterized. Single crystal structure of 1-methyl-3-octadecylimidazolium bis(trifluoromethylsulfonyl)imide could be obtained by X-ray analysis. All these long chain alkyl imidazolium based ILs were applied in the synthesis of nickel nanoparticles via chemical decomposition of an organometallic precursor of nickel. In these media, spontaneous decomposition of Ni(COD)2 (COD = 1,5-cyclooctadiene) in the absence of H2 occurred giving small NPs (≤4 nm) with narrow size distributions. Interestingly, formation of regularly interspaced NP arrays was also observed in long chain ILs. Lastly,more » such array formation could be interesting for potential applications such as carbon nanotube growth.« less

  17. Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries.

    PubMed

    Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan

    2016-05-10

    Five Pb(ii)-imidazolium carboxylate coordination assemblies with novel structural motifs were derived from the reaction between the corresponding flexible, semi flexible or rigid imidazolium carboxylic acid ligands and lead nitrate. The imidazolium linker present in these molecules likely plays a triple role such as the counter ion to balance the metal charge, the ligand being an integral part of the final product and the catalyst facilitating carbon-carbon bond formation reaction. These lead-imidazolium coordination assemblies exhibit, variable chemical and thermal stabilities, as well as catalytic activity. These newly prepared catalysts are highly active towards benzoin condensation reactions with good functional group tolerance. PMID:27093629

  18. Molecular dynamics simulation studies of the influence of imidazolium structure on the properties of imidazolium/azide ionic liquids.

    PubMed

    Hooper, Justin B; Starovoytov, Oleg N; Borodin, Oleg; Bedrov, Dmitry; Smith, Grant D

    2012-05-21

    Atomistic molecular dynamics simulations were performed on 1-butyl-3-methyl-imidazolium azide [bmim][N(3)], 1-butyl-2,3-dimethylimidazolium azide [bmmim][N(3)], and 1-butynyl-3-methyl-imidazolium azide [bumim][N(3)] ionic liquids. The many-body polarizable APPLE&P force field was augmented with parameters for the azide anion and the bumim cation. Good agreement between the experimentally determined and simulated crystal structure of [bumim][N(3)] as well as the liquid-state density and ionic conductivity of [bmmim][N(3)] were found. Methylation of bmim (yielding bmmim) resulted in dramatic changes in ion structuring in the liquid and slowing of ion motion. Conversely, replacing the butyl group of bmim with the smaller 2-butynyl group resulted in an increase of ion dynamics. PMID:22612102

  19. Partition coefficients of organic compounds between water and imidazolium-, pyridinium-, and phosphonium-based ionic liquids.

    PubMed

    Padró, Juan M; Pellegrino Vidal, Rocío B; Reta, Mario

    2014-12-01

    The partition coefficients, P IL/w, of several compounds, some of them of biological and pharmacological interest, between water and room-temperature ionic liquids based on the imidazolium, pyridinium, and phosphonium cations, namely 1-octyl-3-methylimidazolium hexafluorophosphate, N-octylpyridinium tetrafluorophosphate, trihexyl(tetradecyl)phosphonium chloride, trihexyl(tetradecyl)phosphonium bromide, trihexyl(tetradecyl)phosphonium bis(trifluoromethylsulfonyl)imide, and trihexyl(tetradecyl)phosphonium dicyanamide, were accurately measured. In this way, we extended our database of partition coefficients in room-temperature ionic liquids previously reported. We employed the solvation parameter model with different probe molecules (the training set) to elucidate the chemical interactions involved in the partition process and discussed the most relevant differences among the three types of ionic liquids. The multiparametric equations obtained with the aforementioned model were used to predict the partition coefficients for compounds (the test set) not present in the training set, most being of biological and pharmacological interest. An excellent agreement between calculated and experimental log P IL/w values was obtained. Thus, the obtained equations can be used to predict, a priori, the extraction efficiency for any compound using these ionic liquids as extraction solvents in liquid-liquid extractions. PMID:25326892

  20. Transition metal catalysed dehydrogenation of amine-borane fuel blends.

    PubMed

    Mal, Sib Sankar; Stephens, Frances H; Baker, R Tom

    2011-03-14

    Mixtures containing ammonia-borane and sec-butylamine-borane remain liquid throughout the hydrogen release process that affords tri(N-sec-butyl)borazine and polyborazylene. Concentrated solutions with metal catalysts afford >5 wt% H(2) in 1 h at 80 °C and addition of (EMIM)EtSO(4) ionic liquid co-solvent eliminates competing formation of insoluble linear poly(aminoborane) (EMIM = 1-ethyl-3-methyl-imidazolium). PMID:21258748

  1. Part I. Synthesis and characterization of C2 substituted imidazolium room temperature ionic liquids. Part II. Survey and analysis of organic chemistry textbooks

    NASA Astrophysics Data System (ADS)

    Ennis, Elliot G.

    Part I. Among room temperature ionic liquids (RTILs), those derived from the imidazolium cation are the most common. RTILs have generally been viewed solely as solvents, but they are able to participate in certain types of reactions, particularly due to the relatively high acidity at the imidazolium C2. Deprotonation affords N-heterocyclic carbenes (NHCs), which can cause unwanted side reactions. Consequently, the major limitation of imidazolium RTILs is that they cannot be used as solvents in highly basic reactions such as the Baylis-Hillman and Grignard reactions. This work reveals a convenient route for the preparation of C2-substituted imidazolium ionic liquids. This method involves the alkylation of N-heterocyclic carbenes, which are readily generated from the C2-unsubstituted imidazolium ionic liquids. It works well for nonfunctionalized alkyl chlorides and less well for alkyl bromides and iodides, likely due to competing elimination reactions. The resulting C2-substituted salts can be transformed into ionic liquids via standard anion metathesis reactions. Part II. Recent advances in media and the increasingly encyclopedic nature of traditional textbooks have made their role in college classes uncertain. In an effort to discover what is really being taught in organic chemistry courses across the US, a survey of organic chemistry professors in all 50 states was conducted to determine what material is covered in their organic chemistry courses for science majors. Survey Monkey, an online survey program, was used to construct a short 10-item survey which was sent to organic chemistry professors at various types of institutions across the nation. We sent out 2417 surveys and received 489 responses. The results of this survey revealed what topics the professors believe is core material and what they feel is extraneous. Additionally, this research identifies the things these professors would like to see changed in the organic chemistry texts. From the open

  2. Hydrogen fluoride capture by imidazolium acetate ionic liquid

    NASA Astrophysics Data System (ADS)

    Chaban, Vitaly

    2015-04-01

    Extraction of hydrofluoric acid (HF) from oils is a drastically important problem in petroleum industry, since HF causes quick corrosion of pipe lines and brings severe health problems to humanity. Some ionic liquids (ILs) constitute promising scavenger agents thanks to strong binding to polar compounds and tunability. PM7-MD simulations and hybrid density functional theory are employed here to consider HF capture ability of ILs. Discussing the effects and impacts of the cation and the anion separately and together, we evaluate performance of imidazolium acetate and outline systematic search guidelines for efficient adsorption and extraction of HF.

  3. Vinyl chloride

    Integrated Risk Information System (IRIS)

    Vinyl chloride ; CASRN 75 - 01 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Eff

  4. Methyl chloride

    Integrated Risk Information System (IRIS)

    Methyl chloride ; CASRN 74 - 87 - 3 ( 07 / 17 / 2001 ) Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for

  5. Ethyl chloride

    Integrated Risk Information System (IRIS)

    Ethyl chloride ; CASRN 75 - 00 - 3 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Eff

  6. Benzyl chloride

    Integrated Risk Information System (IRIS)

    Benzyl chloride ; CASRN 100 - 44 - 7 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic E

  7. Hydrogen chloride

    Integrated Risk Information System (IRIS)

    Hydrogen chloride ; CASRN 7647 - 01 - 0 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogeni

  8. Mepiquat chloride

    Integrated Risk Information System (IRIS)

    Mepiquat chloride ; CASRN 24307 - 26 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogen

  9. Allyl chloride

    Integrated Risk Information System (IRIS)

    Allyl chloride ; CASRN 107 - 05 - 1 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Ef

  10. Acetyl chloride

    Integrated Risk Information System (IRIS)

    Acetyl chloride ; CASRN 75 - 36 - 5 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Ef

  11. An innovative antisolvent precipitation process as a promising technique to prepare ultrafine rifampicin particles

    NASA Astrophysics Data System (ADS)

    Viçosa, Alessandra; Letourneau, Jean-Jacques; Espitalier, Fabienne; Inês Ré, Maria

    2012-03-01

    Many existing and new drugs fail to be fully utilized because of their limited bioavailability due to poor solubility in aqueous media (BCS drug classes II and IV). In this work, for accelerating dissolution of this kind of poorly water-soluble drugs, an antisolvent precipitation method that does not require the use of conventional volatile organic solvents is proposed. To demonstrate this technique, ultrafine particles of rifampicin were prepared using a room temperature ionic liquid (1-ethyl 3- methyl imidazolium methyl-phosphonate) as an alternative solvent and a phosphate buffer as an antisolvent. Rifampicin solubility was measured in various solvents (1-ethyl 3-methyl imidazolium methylphosphonate, water and phosphate buffer), showing the RTIL good solvency for the model drug: rifampicin solubility was found to be higher than 90 mg/g in RTIL at 30 °C and lower than 1 mg/g in water at 25 °C. Additionally, it was demonstrated that introduction of rifampicin solution in 1-ethyl 3- methyl imidazolium methyl-phosphonate into the aqueous solution antisolvent can produce particles in the submicron range with or without hydroxypropyl methylcellulose as the stabilizer. The ultrafine particles (280-360 nm) are amorphous with enhanced solubility and faster dissolution rate. To our knowledge, this is the first published work examining the suitability of using RTILs for ultrafine drug nanoparticles preparation by an antisolvent precipitation process.

  12. Quasielastic neutron scattering studies on glass-forming ionic liquids with imidazolium cations

    SciTech Connect

    Kofu, Maiko; Inamura, Yasuhiro; Miyazaki, Kyoko; Yamamuro, Osamu; Tyagi, Madhusudan

    2015-12-21

    Relaxation processes for imidazolium-based ionic liquids (ILs) were investigated by means of an incoherent quasielastic neutron scattering technique. In order to clarify the cation and anion effects on the relaxation processes, ten samples were measured. For all of the samples, we found three relaxations at around 1 ps, 10 ps, and 100 ps-10 ns, each corresponding to the alkyl reorientation, the relaxation related to the imidazolium ring, and the ionic diffusion. The activation energy (E{sub a}) for the alkyl relaxation is insensitive to both anion and alkyl chain lengths. On the other hand, for the imidazolium relaxation and the ionic diffusion processes, E{sub a} increases as the anion size decreases but is almost independent of the alkyl chain length. This indicates that the ionic diffusion and imidazolium relaxation are governed by the Coulombic interaction between the core parts of the cations (imidazolium ring) and the anions. This is consistent with the fact that the imidazolium-based ILs have nanometer scale structures consisting of ionic and neutral (alkyl chain) domains. It is also found that there is a clear correlation between the ionic diffusion and viscosity, indicating that the ionic diffusion is mainly associated with the glass transition which is one of the characteristics of imidazolium-based ILs.

  13. Quasielastic neutron scattering studies on glass-forming ionic liquids with imidazolium cations

    NASA Astrophysics Data System (ADS)

    Kofu, Maiko; Tyagi, Madhusudan; Inamura, Yasuhiro; Miyazaki, Kyoko; Yamamuro, Osamu

    2015-12-01

    Relaxation processes for imidazolium-based ionic liquids (ILs) were investigated by means of an incoherent quasielastic neutron scattering technique. In order to clarify the cation and anion effects on the relaxation processes, ten samples were measured. For all of the samples, we found three relaxations at around 1 ps, 10 ps, and 100 ps-10 ns, each corresponding to the alkyl reorientation, the relaxation related to the imidazolium ring, and the ionic diffusion. The activation energy (Ea) for the alkyl relaxation is insensitive to both anion and alkyl chain lengths. On the other hand, for the imidazolium relaxation and the ionic diffusion processes, Ea increases as the anion size decreases but is almost independent of the alkyl chain length. This indicates that the ionic diffusion and imidazolium relaxation are governed by the Coulombic interaction between the core parts of the cations (imidazolium ring) and the anions. This is consistent with the fact that the imidazolium-based ILs have nanometer scale structures consisting of ionic and neutral (alkyl chain) domains. It is also found that there is a clear correlation between the ionic diffusion and viscosity, indicating that the ionic diffusion is mainly associated with the glass transition which is one of the characteristics of imidazolium-based ILs.

  14. Sugarcane bagasse pretreatment using three imidazolium-based ionic liquids; mass balances and enzyme kinetics

    PubMed Central

    2012-01-01

    Background Effective pretreatment is key to achieving high enzymatic saccharification efficiency in processing lignocellulosic biomass to fermentable sugars, biofuels and value-added products. Ionic liquids (ILs), still relatively new class of solvents, are attractive for biomass pretreatment because some demonstrate the rare ability to dissolve all components of lignocellulosic biomass including highly ordered (crystalline) cellulose. In the present study, three ILs, 1-butyl-3-methylimidazolium chloride ([C4mim]Cl), 1-ethyl-3-methylimidazolium chloride ([C2mim]Cl), 1-ethyl-3-methylimidazolium acetate ([C2mim]OAc) are used to dissolve/pretreat and fractionate sugarcane bagasse. In these IL-based pretreatments the biomass is completely or partially dissolved in ILs at temperatures greater than 130°C and then precipitated by the addition of an antisolvent to the IL biomass mixture. For the first time mass balances of IL-based pretreatments are reported. Such mass balances, along with kinetics data, can be used in process modelling and design. Results Lignin removals of 10% mass of lignin in bagasse with [C4mim]Cl, 50% mass with [C2mim]Cl and 60% mass with [C2mim]OAc, are achieved by limiting the amount of water added as antisolvent to 0.5 water:IL mass ratio thus minimising lignin precipitation. Enzyme saccharification (24 h, 15FPU) yields (% cellulose mass in starting bagasse) from the recovered solids rank as: [C2mim]OAc(83%) > >[C2mim]Cl(53%) = [C4mim]Cl(53%). Composition of [C2mim]OAc-treated solids such as low lignin, low acetyl group content and preservation of arabinosyl groups are characteristic of aqueous alkali pretreatments while those of chloride IL-treated solids resemble aqueous acid pretreatments. All ILs are fully recovered after use (100% mass as determined by ion chromatography). Conclusions In all three ILs regulated addition of water as an antisolvent effected a polysaccharide enriched precipitate since some of the lignin remained dissolved

  15. Synthesis of clicked imidazolium-containing biosourced copolymers and application in carbon nanotube dispersion.

    PubMed

    Mincheva, Rosica; Meyer, Franck; Verge, Pierre; Raquez, Jean-Marie; Billiet, Leen; Du Prez, Filip; Dubois, Philippe

    2011-12-15

    New polyesters incorporating a variable quantity of imidazolium rings along the backbone are synthesized by Huisgen 1,3-dipolar cycloaddition ("click" reaction). Subsequently, the imidazolium-grafted copolymers reveal an efficient dispersing ability toward the carbon nanotubes (CNTs) through supramolecular interactions in organic media. Interestingly, these compounds offer a simple and reliable strategy to control the quantity of dispersed CNTs as a function of imidazolium content. This approach is particularly suitable for the elaboration of biosourced and biodegradable materials based on poly(butylene succinate) with high-performance properties. PMID:22105987

  16. Comparison of different ionic liquids pretreatment for corn stover enzymatic saccharification.

    PubMed

    Mood, Sohrab Haghighi; Golfeshan, Amir Hossein; Tabatabaei, Meisam; Abbasalizadeh, Saeed; Ardjmand, Mehdi; Jouzani, Gholamreza Salehi

    2014-01-01

    Recently, application of ionic liquids (ILs) has received much attention due to their special solvency properties as a promising method of pretreatment for lignocellulosic biomass. Easy recovery of ionic liquids, chemical stability, temperature stability, nonflammability, low vapor pressure, and wide liquidus range are among those unique properties. These solvents are also known as green solvents due to their low vapor pressure. The present study was set to compare the effect of five different ILs, namely, 1-ethyl-3-methylimidazolium acetate ([EMIM][Ac]), 1-butyl-3-methylimidazolium chloride ([BMIM][Cl]), 1-ethyl-3-methyl imidazolium diethyl phosphate ([EMIM][DEP]), 1-allyl-3-methylimidazolium chloride ([AMIM][Cl]), and 1-ethyl-3-methylimidazolium-hydrogen sulfate ([EMIM][HSO₄]), on corn stover in a bioethanol production process. The performance of ILs was evaluated based on the change observed in chemical structure, crystallinity index, cellulose digestibility, and glucose release. Overall, [EMIM][Ac]-pretreated corn stover led to significantly higher saccharification, with cellulose digestibility reaching 69% after 72 hr, whereas digestibility of untreated barley straw was measured at only 21%. PMID:24397717

  17. Experimental and Quantum Chemical Calculations of Imidazolium Appended Naphthalene Hybrid in Different Biomimicking Aqueous Interfaces.

    PubMed

    Yenupuri, Tej Varma; Mydlova, Lucia; Agarwal, Devesh S; Sharma, Ritika; Sakhuja, Rajeev; Makowska-Janusik, Malgorzata; Pant, Debi D

    2016-08-25

    The effect of solvent polarity and micellar headgroup on a newly designed imidazolium based ionic liquid (IL) conjugated with naphthalene, 1,2-dimethyl-3-((6-(octyloxy)naphthalen-2-yl)methyl)-1H-imidazol-3-ium chloride (IN-O8-Cl), was studied using steady state and time-resolved fluorescence techniques. We observed that the dipole moment in the excited state is remarkably higher than the ground state. The effect of micellar surface charge on the photophysics of IN-O8-Cl in aqueous phase at room temperature was investigated. Formation of premicellar aggregates in sodium dodecylsulfate (SDS) was perceived; further the microenvironment of IN-O8-Cl was examined using steady-state fluorescence spectroscopy. Micropolarity of the micellar environment of SDS was found to be lower than that of cetyltrimethylammonium bromide (CTAB) and triton X-100 (TX100) following the order SDS < TX-100 < CTAB. The binding constant (Kb) and edge excitation red shift (EERS) from the emission maximum suggest that the probe binds strongly to the micelles. Multiexponential behavior was observed in time-resolved fluorescence lifetime studies in all micellar environments. We have observed an increase in rotational correlation time as we move from pure aqueous phase to solution containing surfactants of different head charge. Varieties of spectral parameters were used to justify the region in which the probe is present. The experimentally obtained dipole moment data were justified and explained by the DFT calculations of the electronic properties of IN-O8-Cl molecules in gas phase and in selected solvents. PMID:27486828

  18. Sensing and antibacterial activity of imidazolium-based conjugated polydiacetylenes.

    PubMed

    Lee, Songyi; Cheng, Hua; Chi, Meiying; Xu, Qingling; Chen, Xiaoqiang; Eom, Chi-Yong; James, Tony D; Park, Sungsu; Yoon, Juyoung

    2016-03-15

    In the current study, we report the first example of polydiacetylenes (PDAs), where our PDA-based system acts as both a sensing probe and killer for bacteria. The contact of imidazolium and imidazole-derived PDA with various bacterial strains including MRSA (methicillin-resistant Staphylococcus aureus) and ESBL-EC (extended-spectrum β-lactamase-producing Escherichia coli) results in a distinct blue-to-red colorimetric change of the solution as well as a rapid disruption of the bacterial membrane, which is demonstrated by transmission electron microscopy and confocal microscopy. Zeta potential analysis supports that antibacterial activity of the PDA solution originates from an electrostatic interaction between the negatively charged bacterial cell surface and the positively charged polymers. These results suggest that the PDA has a great potential to carry out the dual roles of a probe and killer for bacteria. PMID:26547428

  19. The Overriding Roles of Concentration and Hydrophobic Effect on Structure and Stability of Heme Protein Induced by Imidazolium-Based Ionic Liquids.

    PubMed

    Jha, Indrani; Kumar, Awanish; Venkatesu, Pannuru

    2015-07-01

    Spectroscopic and molecular docking investigations were carried out to characterize the effect of imidazolium-based ionic liquids (ILs) with varying chain length of the cation on the thermal stability as well as spectroscopic behavior of heme protein hemoglobin (Hb). The goal of this work is to investigate the role of concentration of ILs, the effect of alkyl chain length of the cation, and the related Hofmeister series on the structure of Hb. To achieve this goal, a series of ILs possessing same Cl(-) anion and a set of cation [Cnmim](+) with increasing chain length such as 1-ethyl-3-methylimidazolium chloride ([Emim][Cl]), 1-butyl-3-methylimidazolium chloride ([Bmim][Cl]), 1-hexyl-3-methylimidazolium chloride ([Hmim][Cl]), and 1-decyl-3-methylimidazolium chloride ([Dmim][Cl]) were used in this study. It was observed that the stability of the protein was concentration dependent as well as the hydrophobic interactions between [Cnmim](+) of ILs, and the amino acid residues in the protein played a major role in protein unfolding. As a consequence, the destabilization tendency of the ILs toward the Hb increases with increasing chain length of the cation of ILs. Additionally, the cations of the ILs obeyed the Hofmeister series when arranged in the order of providing stability to Hb structure. PMID:26069954

  20. Local structure and molecular motions in imidazolium hydrogen malonate crystal as studied by 2H and 13C NMR

    NASA Astrophysics Data System (ADS)

    Mizuno, M.; Chizuwa, M.; Umiyama, T.; Kumagai, Y.; Miyatou, T.; Ohashi, R.; Ida, T.; Tansho, M.; Shimizu, T.

    2015-04-01

    The local structure and molecular motion of the imidazolium hydrogen malonate crystal were investigated using solid-state 2H and 13C NMR. The imidazolium ion undergoes isotropic rotation, which is correlated with a defect in the crystal, as observed by 2H NMR broadline spectra above 263 K. A 180∘ flip of the imidazolium ion in the regular site was observed from 2H NMR quadrupole Carr-Purcell-Meiboom-Gill (QCPMG) spectra. The Grotthuss mechanism was accompanied by a 180∘ flip of the imidazolium ion in regular sites. Moreover, the proton transfer associated with the imidazolium ion of the defective crystal is important for proton conductivity of the imidazolium hydrogen malonate crystal.

  1. Formation of aluminide coatings by low-temperature heat treatment of Al coating electrodeposited from ionic liquid

    NASA Astrophysics Data System (ADS)

    Li, Yan; Xu, Bajin; Ling, Guoping; Liu, Kezhao; Chen, Chang'an; Zhang, Guikai

    2011-05-01

    In this study, we proposed a two-step approach to prepare aluminide coatings, namely electrodepositing Al from AlCl 3-1-ethyl-3-methyl-imidazolium chloride (AlCl 3-EMIC) ionic liquid at room temperature and subsequent heat treatment at low temperature. The adherence of the coating was checked by a simple mechanical scratch test. The surface and cross-sectional morphologies, phase structures and chemical compositions of the coatings after heat treatment were characterized by scanning electronic microscope (SEM), X-ray diffraction (XRD) and energy dispersive X-ray analysis (EDX), respectively. The deposited Al coatings were in homogenous and controllable thickness with excellent adherence to the substrate. The coatings were brittle Fe 2Al 5 and FeAl 3 phase after 5 min heat treatment at 670 °C, which transformed into ductile FeAl phase after 16 h heat treatment. The advantages of this method in eliminating the brittle Fe 2Al 5, cracks and pores in the aluminide coatings were discussed.

  2. Preparation of Al-Cr-Fe Coatings by Heat Treatment of Electrodeposited Cr/Al Composite Coatings

    NASA Astrophysics Data System (ADS)

    Zhang, Min; Chen, Chang'an; Zhang, Guikai; Rao, Yongchu; Ling, Guoping

    Al-Cr-Fe coatings have been widely used in the surface engineering field of materials, due to their excellent corrosion resistance to water vapor and fused salt deposits. In this study, a new two-step approach was developed to prepare Al-Cr-Fe coatings on surfaces of SUS430 stainless steels. First, the Cr/Al composite coatings were prepared by electrodepositing Cr from aqueous solution then electrodepositing Al from AlCl3-1-ethyl-3-methyl-imidazolium chloride (AlCl3-EMIC) ionic liquid on SUS430 stainless steel substrate. In the second, heat treatment of the Cr/Al composite coatings was carried out to acquire Al-Cr-Fe coatings. Effects of the thickness of Cr/Al composite coatings, the time and temperature of heat treatment on composition and phase structure of alloy layers were studied by using scanning electron microscope (SEM), backscattered electron (BSE), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD). The structure transformation process and formation mechanism of Al-Cr-Fe coatings were discussed.

  3. NMR measurements in solutions of dialkylimidazolium haloaluminates

    SciTech Connect

    Takahashi, S.; Saboungi, M.L.; Klingler, R.J.; Chen, M.J.; Rathke, J.W.

    1992-06-01

    {sup 27}Al and {sup 35}Cl NMR spectra of AlCl{sub 3}-1-ethyl-3-methyl imidazolium chloride (EMIC) melts were measured for initial compositions ranging from 50 to 67 mol % AlCl{sub 3} at various temperatures. It was shown by changing the preaquisition delay time (DE value) that the dominant aluminum species are AlCl{sub 4}{sup {minus}} in the melt formed by mixing 50 mol % with EMIC and Al{sub 2}Cl{sub 7}{sup {minus}} in the 67 mol % AlCl{sub 3} melt. In the equimolar mixture, the chemical shift of {sup 27}Al NMR spectrum is 103.28 ppm and the line width is 22.83Hz. In the 67 mol % AlCl{sub 3} mixture, the chemical shift is 103.41 ppm and the line width is 2624Hz. A third species observed at 97 ppm in the {sup 27}Al spectra for the 55 and 60 mol % AlCl{sub 3} mixtures is identified to be a product of the reaction with residual water. The relaxation rates for each species in the melts were determined.

  4. Rheology of Imidazolium-Based Ionic Liquids with Aromatic Functionality.

    PubMed

    Tao, Ran; Simon, Sindee L

    2015-09-01

    A series of imidazolium-based ionic liquids with cyclic and aromatic groups and a bis[(trifluoromethane)sulfonyl]amide anion were characterized using dynamic and steady shear rheology in a wide temperature range. The cations investigated include 1-(cyclohexylmethyl)-3-methylimidazolium ([CyhmC1im](+)), 1-benzyl-3-methylimidazolium ([BnzC1im](+)), 1,3-dibenzylimidazolium ([(Bnz)2im](+)), and 1-(2-naphthylmethyl)-3-methylimidazolium ([NapmC1im](+)). Rheological properties are reported from terminal flow to the glassy state. All ionic liquids show very similar flow behavior with a glassy modulus approaching 1 GPa. The temperature dependences of the shift factors used for time-temperature superposition and the viscosity both follow the same VFT or WLF relationship, and the dynamic fragility at Tg ranges from 117 to 130 for the aromatic ionic liquids investigated, considerably more fragile, in the Angell sense, than the aliphatic analogs. Additionally, an anomalous aging effect in the dynamic viscosity response (i.e., a maximum observed at intermediate frequencies) was found using a strain-controlled rheometer but not using a stress-controlled rheometer. PMID:26230926

  5. Synthesis and Characterization of Imidazolium Linear Bisphenol Polycarbonate Hydroxides for Anion Exchange Membrane.

    PubMed

    Jang, Hohyoun; Hossain, Md Awlad; Lee, Soonho; Ha, Jaesung; Yoo, Jihoo; Kim, Kyungchul; Kim, Whangi

    2015-11-01

    A novel anion exchange membrane of imidazolium functionalized bisphenol polycarbonate was prepared for application in alkaline fuel cell. Di-imidazolium polycarbonate anionic membrane was synthesized by sequential interfacial polymerization, chloromethylation, substitution with 1-methylimidazole and ion exchange with 1.0 M KOH. Chloromethylation reaction was quantitative to achieve a high content of hydroxide ions. Introduction of conjugated imidazole ring in polymer plays an important role to improve both thermal and chemical stability. Bisphenol polycarbonate is a flexible polymer and shows a good solubility in polar organic solvent. The alkaline imidazolium bisphenol polycarbonate rendered an elevated molecular weight with excellent solubility in polar aprotic solvent. Different levels of substitution and ion exchange were investigated; the resulting membranes showed high ion exchange capacities (IECs) of up to 2.15 mmol g(-1). The imidazolium-functionalized copolymer membranes showed lower water affinity (14.2-42.8% at 30 degrees C) that satisfied an essential criterion for fuel cell application. The chemical structure of the imidazolium functionalized polycarbonate membrane was confirmed by 1H NMR spectroscopy, and also the membrane properties were evaluated by thermogravimetric analysis (TGA) and water uptake (WU), IEC and conductivity assessment. They exhibited hydroxide conductivity above 10(-2) S cm(-1) at room temperature and good chemical stability for up to five days without significant losses of ion conductivity. PMID:26726604

  6. Ordered, microphase-separated, noncharged-charged diblock copolymers via the sequential ATRP of styrene and styrenic imidazolium monomers

    SciTech Connect

    Shi, ZX; Newell, BS; Bailey, TS; Gin, DL

    2014-12-15

    A series of imidazolium-based noncharged-charged diblock copolymers (1) was synthesized by the direct, sequential ATRP of styrene and styrenic imidazolium bis(trifluoromethyl)sulfonamide monomers with methyl, n-butyl, and n-decyl side-chains. Small-angle X-ray scattering studies on initial examples of 1 with a total of 50 repeat units and styrene:imidazolium-styrene repeat unit ratios of 25:25, 20:30, and 15:35 showed that their ability to form ordered nanostructures (i.e., sphere and cylinder phases) in their neat states depends on both the block ratio and the length of the alkyl side-chain on the imidazolium monomer. To our knowledge, the synthesis of imidazolium-based BCPs that form ordered, phase-separated nanostructures via direct ATRP of immiscible co-monomers is unprecedented. (C) 2014 Elsevier Ltd. All rights reserved.

  7. Neighbor-directed histidine N(τ) alkylation. A route to imidazolium-containing phosphopeptide macrocycles

    SciTech Connect

    Qian, Wen-Jian; Park, Jung-Eun; Grant, Robert; Lai, Christopher C.; Kelley, James A.; Yaffe, Michael B.; Lee, Kyung S.; Burke, Terrence R.

    2015-07-07

    Our recently discovered, selective, on-resin route to N(τ)-alkylated imidazolium-containing histidine residues affords new strategies for peptide mimetic design. In this, we demonstrate the use of this chemistry to prepare a series of macrocyclic phosphopeptides, in which imidazolium groups serve as ring-forming junctions. These cationic moieties subsequently serve to charge-mask the phosphoamino acid group that directed their formation. Furthermore, neighbor-directed histidine N(τ)-alkylation opens the door to new families of phosphopeptidomimetics for use in a range of chemical biology contexts.

  8. Imidazolium-based ionic liquids grafted on solid surfaces.

    PubMed

    Xin, Bingwei; Hao, Jingcheng

    2014-01-01

    Supported ionic liquids (SILs), which refer to ionic liquids (ILs) immobilized on supports, are among the most important derivatives of ILs. The immobilization process of ILs can transfer their desired properties to substrates. Combination of the advantages of ILs with those of support materials will derive novel performances while retaining properties of both moieties. SILs have been widely applied in almost all of fields involving ILs, and have brought about drastic expansion of the ionic liquid area. As green media in organic catalytic reactions, based on utilizing the ability of ILs to stabilize the catalysts, they have many advantages over free ILs, including avoiding the leaching of ILs, reducing their amount, and improving the recoverability and reusability of both themselves and catalysts. This has critical significance from both environmental and economical points of view. As novel functional materials in surface science and material chemistry, SILs are ideal surface modifying agents. They can modify and improve the properties of solids, such as wettability, lubricating property, separation efficiency and electrochemical response. With the achievements in the field of ILs, using magnetic nanoparticles (MNPs) to SILs has drawn increasing attention in catalytic reactions and separation technologies, and achieved substantial progress. The combination of MNPs and ILs renders magnetic SILs, which exhibit the unique properties of ILs as well as facile separation by an external magnetic field. In this article, we focus on imidazolium-based ILs covalently grafted to non-porous and porous inorganic materials. The excellent stability and durability of this kind of SILs offer a great advantage compared with free ILs and IL films physically adsorbed on substrates without covalent bonds. Including examples from our own research, we overview mainly the applications and achievements of covalent-linked SILs in catalytic reactions, surface modification, separation

  9. Chloride in diet

    MedlinePlus

    ... found in table salt or sea salt as sodium chloride. It is also found in many vegetables. Foods ... Nutrition Board. Dietary Reference Intakes for Water, Potassium, Sodium, Chloride, and Sulfate. National Academy Press, Washington, DC: 2005. ...

  10. Imidazolium tagged acridines: Synthesis, characterization and applications in DNA binding and anti-microbial activities

    NASA Astrophysics Data System (ADS)

    Raju, Gembali; Vishwanath, S.; Prasad, Archana; Patel, Basant K.; Prabusankar, Ganesan

    2016-03-01

    New water soluble 4,5-bis imidazolium tagged acridines have been synthesized and structurally characterized by multinuclear NMR and single crystal X-ray diffraction techniques. The DNA binding and anti-microbial activities of these acridine derivatives were investigated by fluorescence and far-UV circular dichroism studies.

  11. Molecular parameters and transmembrane transport mechanism of imidazolium-functionalized binols.

    PubMed

    Vidal, Marc; Schmitzer, Andreea

    2014-08-01

    We describe the molecular parameters governing the transmembrane activity of imidazolium-functionalized anion transporters and present a detailed mechanistic study. These ionophores adopt a mobile-carrier mechanism for short methyl and butyl chains, a combined mobile-carrier/transmembrane-pore mechanism for octyl and dodecyl chains, and form transmembrane aggregates for hexadecyl chains. PMID:25043746

  12. Structural, thermal, dielectric and phonon properties of perovskite-like imidazolium magnesium formate.

    PubMed

    Mączka, Mirosław; Marinho Costa, Nathalia Leal; Gągor, Anna; Paraguassu, Waldeci; Sieradzki, Adam; Hanuza, Jerzy

    2016-05-18

    We report the synthesis and characterisation of a magnesium formate framework templated by protonated imidazole. Single-crystal X-ray diffraction data showed that this compound crystallizes in the monoclinic structure in the P21/n space group with lattice parameters a = 12.1246(4) Å, b = 12.2087(5) Å, c = 12.4991(4) Å and β = 91.39(1)°. The antiparallel arrangement of the dipole moments associated with imidazolium cations suggests the antiferroelectric character of the room-temperature phase. The studied compound undergoes a structural phase transition at 451 K associated with a halving of the c lattice parameter and the disappearance of the antiferroelectric order. The monoclinic symmetry is preserved and the new metrics are a = 12.261(7) Å, b = 12.290(4) Å, c = 6.280(4) Å, and β = 90.62(5)°. Raman and IR data are consistent with the X-ray diffraction data. They also indicate that the disorder of imidazolium cations plays a significant role in the mechanism of the phase transition. Dielectric data show that the phase transition is associated with a relaxor nature of electric ordering. We also report high-pressure Raman scattering studies of this compound that revealed the presence of two pressure-induced phase transitions near 3 and 7 GPa. The first transition is most likely associated with a rearrangement of the imidazolium cations without any significant distortion of these cations and the magnesium formate framework, whereas the second transition leads to strong distortion of both the framework and imidazolium cations. High-pressure data also show that imidazolium magnesium formate does not show any signs of amorphization up to 11.4 GPa. PMID:27150209

  13. Atomic Resolution Insights into the Structural Aggregations and Optical Properties of Neat Imidazolium-Based Ionic Liquids.

    PubMed

    Du, Likai; Geng, Cuihuan; Zhang, Dongju; Lan, Zhenggang; Liu, Chengbu

    2016-07-14

    A fundamental understanding of the structural heterogeneity and optical properties of ionic liquids is crucial for their potential applications in catalysis, optical measurement, and solar cells. Herein, a synergistic approach combining molecular dynamics simulations, excited-state calculations, and statistical analysis was used to explore the explicit correlation between the structural and optical properties of one imidazolium amino acid-based ionic liquid, 1-butyl-3-methylimidazolium glycine. The estimated absorption spectrum successfully rationalizes the unusual and non-negligible absorption band beyond 300 nm for the neat imidazolium-based ionic liquid. The absorption behavior of imidazolium-based ionic liquids is shown to be sensitive to the details of their locally heterogeneous environments. We quantitatively highlight the imidazolium moiety and its various molecular aggregations, rather than the monomeric imidazolium moiety, that are responsible for the absorption characteristics. These results would improve our understanding of the preliminary interplay between structural heterogeneity and optical properties for neat imidazolium-based ionic liquids. PMID:27276660

  14. Melaminium chloride hemihydrate.

    PubMed

    Janczak, J; Perpétuo, G J

    2001-09-01

    The crystals of a new melaminium salt, 2,4,6-triamino-1,3,5-triazin-1-ium chloride hemihydrate, C(3)H(7)N(6)(+).Cl(-).0.5H(2)O, are built up from single-protonated melaminium residues, chloride anions and water molecules. The protonated melaminium cations lie on a twofold axis, while the chloride anions and water molecule lie on the m plane. The melaminium residues are interconnected by N-H...N hydrogen bonds, forming chains parallel to the (001) plane. The chains of melaminium residues form a three-dimensional network through hydrogen-bond interactions with chloride anions and water molecules. PMID:11588391

  15. Vibrational Spectroscopic Study of Imidazolium Dicationic Ionic Liquids: Effect of Cation Alkyl Chain Length

    NASA Astrophysics Data System (ADS)

    Moumene, T.; Belarbi, E. H.; Haddad, B.; Villemin, D.; Abbas, O.; Khelifa, B.; Bresson, S.

    2016-05-01

    Two new dicationic ionic liquids were synthesized: bis-methyl imidazolium methylidene hexafluorophosphate [M(CH2)IM2 +][2PF 6 - ] and bis-methyl imidazolium propylidene hexafluorophosphate [M(CH2)3IM2 +][2PF 6 - ]. Their structures were identified by H, C, P, F NMR, FTIR/ATR, and FT-Raman spectroscopies in order to study the effect of cation alkyl chain length on vibration behaviors. Several changes were recorded, which were related to alkyl chain length. A frequency shift was observed in some modes while others remained insensitive. A greater number of peaks was found in the FTIR/ATR spectra and the FT-Raman spectra with increasing alkyl chain length, which indicated that chain length influences the N-C connection twisting. More peaks with strong intensity appeared for longer alkyl chain lengths.

  16. Efficient and selective removal of dyes using imidazolium-based supramolecular gels.

    PubMed

    Cheng, Ni; Hu, Qiongzheng; Guo, Yongxian; Wang, Yong; Yu, Li

    2015-05-20

    A supramolecular gel was constructed by using an imidazolium-based surfactant, N-cetyl-N'-carboxymethyl imidazolium bromide ([N-C16, N'-CO2H-Im]Br), in the DMSO/H2O binary solvent mixtures and investigated as an adsorbent for removing dyes from aqueous solution. The self-assembled gel displays a morphology of microplatelets stacked in bilayer units with interdigitated hydrocarbon tails, and the structure remains unchanged below the sol-gel transition temperature. The gel also exhibits a strong birefringence property and excellent mechanical strength. In particular, the gels show superior performance in removal of anionic dye molecules, for example, removing 80% of eosin Y within 10 min, The constructed gels also present excellent salinity tolerance, even when the concentration of NaCl is 1000 times higher than that of the dye, and can maintain their high efficiency after 25 cycles, indicative of their promise in water treatment. PMID:25938635

  17. Infrared and Ultraviolet Spectroscopy of Gas-Phase Imidazolium and Pyridinium Ionic Liquids.

    NASA Astrophysics Data System (ADS)

    Young, Justin W.; Booth, Ryan S.; Annesley, Christopher; Stearns, Jaime A.

    2015-06-01

    Ionic liquids (ILs) are a highly variable and potentially game-changing class of molecules for a number of Air Force applications such as satellite propulsion, but the complex nature of IL structure and intermolecular interactions makes it difficult to adequately predict structure-property relationships in order to make new IL-based technology a reality. For example, methylation of imidazolium ionic liquids leads to a substantial increase in viscosity but the underlying physical mechanism is not understood. In addition, the role of hydrogen bonding in ILs, and especially its relationship to macroscopic properties, is a matter of ongoing research. Here we describe the gas-phase spectroscopy of a series of imidazolium- and pyridinium-based ILs, using a combination of infrared spectroscopy and density functional theory to establish the intermolecular interactions present in various ILs, to assess how well they are described by theory, and to relate microscopic structure to macroscopic properties.

  18. Synthesis, characterization and comparative evaluation of phenoxy ring containing long chain gemini imidazolium and pyridinium amphiphiles.

    PubMed

    Bhadani, Avinash; Kataria, Hardeep; Singh, Sukhprit

    2011-09-01

    Two series of phenoxy ring containing long chain imidazolium and pyridinium based gemini amphiphiles have been synthesized from renewable cardanol oil having different spacers (i. e. -S-(CH(2))(n)-S-, where n is 2, 3, 4 & 6). Critical micelle concentration (cmc) of these new gemini amphiphiles has been determined by conductivity method. Further, these new cationic amphiphiles have been evaluated for their DNA binding capability by agarose gel electrophoresis, ethidium bromide exclusion experiments and transmission electron microscopy (TEM). The cytotoxicity of these new amphiphiles have been evaluated by MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay. Comparative studies of these phenoxy ring containing long chain gemini imidazolium amphiphiles and their pyridinium analogues depicted low cmc values of the later but greater DNA interaction capability and low cytotoxicity of the former series of amphiphiles. PMID:21676409

  19. A Remarkably Simple Class of Imidazolium-Based Lipids and Their Biological Properties.

    PubMed

    Wang, Da; Richter, Christian; Rühling, Andreas; Drücker, Patrick; Siegmund, Daniel; Metzler-Nolte, Nils; Glorius, Frank; Galla, Hans-Joachim

    2015-10-19

    A series of imidazolium salts bearing two alkyl chains in the backbone of the imidazolium core were synthesized, resembling the structure of lipids. Their antibacterial activity and cytotoxicity were evaluated using Gram-positive and Gram-negative bacteria and eukaryotic cell lines including tumor cells. It is shown that the length of alkyl chains in the backbone is vital for the antibiofilm activities of these lipid-mimicking components. In addition to their biological activity, their surface activity and their membrane interactions are shown by film balance and quartz crystal microbalance (QCM) measurements. The structure-activity relationship indicates that the distinctive chemical structure contributes considerably to the biological activities of this novel class of lipids. PMID:26332168

  20. Influence of oxygen functionalities on the environmental impact of imidazolium based ionic liquids.

    PubMed

    Deng, Yun; Besse-Hoggan, Pascale; Sancelme, Martine; Delort, Anne-Marie; Husson, Pascale; Gomes, Margarida F Costa

    2011-12-30

    Several physico-chemical properties relevant to determine the environmental impact of ionic liquids - aqueous solubility, octanol-water partition coefficient and diffusion coefficients in water at infinite dilution - together with toxicity and biodegradability of ionic liquids based on 1-alkyl-3-methylimidazolium cations with or without different oxygenated functional groups (hydroxyl, ester and ether) are studied in this work. The presence of oxygen groups on the imidazolium cation reduces the toxicity of ionic liquids 1-alkyl-3-methylimidazolium with bis(trifluoromethylsulfonyl)imide or octylsulfate anions and simultaneously decreases the value of their octanol-water partition coefficient. The presence of ester functions renders the ionic liquids more easily biodegradable, especially for long alkyl side-chains in the cation but leads to hydrolysis with the formation of reaction products that accumulate. The imidazolium ring is resistant to biodegradability and to abiotic degradation. The oxygen functionalised ionic liquids are more soluble in water and, diffuse more slowly in this medium. PMID:22071261

  1. Vibrational Spectroscopic Study of Imidazolium Dicationic Ionic Liquids: Effect of Cation Alkyl Chain Length

    NASA Astrophysics Data System (ADS)

    Moumene, T.; Belarbi, E. H.; Haddad, B.; Villemin, D.; Abbas, O.; Khelifa, B.; Bresson, S.

    2016-05-01

    Two new dicationic ionic liquids were synthesized: bis-methyl imidazolium methylidene hexafluorophosphate [M(CH2)IM2 +][2PF{6/-}] and bis-methyl imidazolium propylidene hexafluorophosphate [M(CH2)3IM2 +][2PF{6/-}]. Their structures were identified by H, C, P, F NMR, FTIR/ATR, and FT-Raman spectroscopies in order to study the effect of cation alkyl chain length on vibration behaviors. Several changes were recorded, which were related to alkyl chain length. A frequency shift was observed in some modes while others remained insensitive. A greater number of peaks was found in the FTIR/ATR spectra and the FT-Raman spectra with increasing alkyl chain length, which indicated that chain length influences the N-C connection twisting. More peaks with strong intensity appeared for longer alkyl chain lengths.

  2. Low-frequency Raman spectra and fragility of imidazolium ionic liquids

    SciTech Connect

    Ribeiro, Mauro C. C.

    2010-07-14

    Raman spectra within the 5-200 cm{sup -1} range have been recorded as a function of temperature for different ionic liquids based on imidazolium cations. A correlation has been found between fragility and the temperature dependence of the strength of fast relaxational motions. Understanding quasielastic scattering as the relaxational contribution to ionic mean-squared displacement elucidates some effects on ionic liquids' fragility resulting from modifications in the chemical structure.

  3. Surface structured platinum electrodes for the electrochemical reduction of carbon dioxide in imidazolium based ionic liquids.

    PubMed

    Hanc-Scherer, Florin A; Montiel, Miguel A; Montiel, Vicente; Herrero, Enrique; Sánchez-Sánchez, Carlos M

    2015-10-01

    The direct CO2 electrochemical reduction on model platinum single crystal electrodes Pt(hkl) is studied in [C2mim(+)][NTf2(-)], a suitable room temperature ionic liquid (RTIL) medium due to its moderate viscosity, high CO2 solubility and conductivity. Single crystal electrodes represent the most convenient type of surface structured electrodes for studying the impact of RTIL ion adsorption on relevant electrocatalytic reactions, such as surface sensitive electrochemical CO2 reduction. We propose here based on cyclic voltammetry and in situ electrolysis measurements, for the first time, the formation of a stable adduct [C2mimH-CO2(-)] by a radical-radical coupling after the simultaneous reduction of CO2 and [C2mim(+)]. It means between the CO2 radical anion and the radical formed from the reduction of the cation [C2mim(+)] before forming the corresponding electrogenerated carbene. This is confirmed by the voltammetric study of a model imidazolium-2-carboxylate compound formed following the carbene pathway. The formation of that stable adduct [C2mimH-CO2(-)] blocks CO2 reduction after a single electron transfer and inhibits CO2 and imidazolium dimerization reactions. However, the electrochemical reduction of CO2 under those conditions provokes the electrochemical cathodic degradation of the imidazolium based RTIL. This important limitation in CO2 recycling by direct electrochemical reduction is overcome by adding a strong acid, [H(+)][NTf2(-)], into solution. Then, protons become preferentially adsorbed on the electrode surface by displacing the imidazolium cations and inhibiting their electrochemical reduction. This fact allows the surface sensitive electro-synthesis of HCOOH from CO2 reduction in [C2mim(+)][NTf2(-)], with Pt(110) being the most active electrode studied. PMID:26307480

  4. Comparison of imidazolium ionic liquids and traditional organic solvents: effect on activated sludge processes.

    PubMed

    Gendaszewska, Dorota; Liwarska-Bizukojc, Ewa

    2013-01-01

    Data concerning the biodegradability and ecotoxicity of ionic liquids (ILs) obtained so far are insufficient in the context of IL removal from wastewater in activated sludge systems. Thus, in this work the selected imidazolium ionic liquids and two organic solvents (methanol and acetone) were tested with respect to their influence on activated sludge processes, particularly on the morphology of sludge flocs. The presence of ionic liquids with the chemical structure of 1-alkyl-3-methyl imidazolium bromide in wastewater did not deteriorate biological wastewater treatment processes if their concentration was not higher than 5 mg l(-1). Regarding the structure of the ILs studied, the longer the alkyl substituent was, the stronger the effect on sludge flocs. The highest decrease in activated sludge floc area and biomass concentration was exerted by the ionic liquid with the longest alkyl chain, i.e. 1-decyl-3-methylimidazolium bromide. The action of both methanol and acetone on floc size, activated sludge concentration and efficiency of organic pollutants removal was weaker compared to all tested 1-alkyl-3-methyl imidazolium bromides. PMID:24355854

  5. Removal of imidazolium ionic liquids by microbial associations: study of the biodegradability and kinetics.

    PubMed

    Liwarska-Bizukojc, Ewa; Gendaszewska, Dorota

    2013-01-01

    The aim of this study was to estimate the biodegradability of the selected imidazolium ionic liquids and to determine the kinetic parameters for the biological treatment of wastewater containing these ionic liquids. Biodegradability was evaluated with the help of the Organisation for Economic Co-operation and Development (OECD) tests, while oxygen uptake rate (OUR) tests were made in order to calculate the values of Monod kinetic parameters. The results obtained from both types of the tests showed that ionic liquids of chemical structure of 1-alkyl-3-methyl imidazolium bromide were poorly biodegradable and co-biodegradable compounds, although their biodegradability increased with the elongation of the alkyl chain length. At the same time the presence of the imidazolium-based ionic liquids in wastewater at concentration of 50 mg l(-1) did not inhibit biomass growth as well as did not decrease the affinity of substrate to biomass. The values of both Monod kinetic parameters, i.e., maximum specific growth rate (μ(max)) and half saturation constant (K(S)), increased with the increase in chain length of the alkyl substituent. PMID:22925899

  6. Phosphonium chloride for thermal storage

    NASA Technical Reports Server (NTRS)

    Sutton, J. G.; Heimlich, P. F.; Tepper, E. H.

    1972-01-01

    Development of systems for storage of thermal energy is discussed. Application of phosphonium chloride for heat storage through reversible dissociation is described. Chemical, physical, and thermodynamic properties of phosphonium chloride are analyzed and dangers in using phosphonium chloride are explained.

  7. Charged, dipolar soft matter systems from a combined microscopic–mesoscopic viewpoint

    NASA Astrophysics Data System (ADS)

    Schröder, Christian; Steinhauser, Othmar

    2016-09-01

    As an example of charged, dipolar soft matter, the ionic liquid 1-ethyl-3-methyl-imidazolium dicyanamide is studied by coarse-grained molecular dynamics simulations. We focus on the link between microscopic and mesoscopic properties for both structure and dynamics. Thereby, the generalized Kirkwood g K-factor plays a central role in establishing this link which is not possible on the basis of molecular hydrodynamics. The decoupling between translational and rotational motion is indicative of the dynamical heterogeneity in ionic liquids.

  8. Charged, dipolar soft matter systems from a combined microscopic-mesoscopic viewpoint.

    PubMed

    Schröder, Christian; Steinhauser, Othmar

    2016-09-01

    As an example of charged, dipolar soft matter, the ionic liquid 1-ethyl-3-methyl-imidazolium dicyanamide is studied by coarse-grained molecular dynamics simulations. We focus on the link between microscopic and mesoscopic properties for both structure and dynamics. Thereby, the generalized Kirkwood g K-factor plays a central role in establishing this link which is not possible on the basis of molecular hydrodynamics. The decoupling between translational and rotational motion is indicative of the dynamical heterogeneity in ionic liquids. PMID:27376788

  9. Chloride flux in phagocytes.

    PubMed

    Wang, Guoshun

    2016-09-01

    Phagocytes, such as neutrophils and macrophages, engulf microbes into phagosomes and launch chemical attacks to kill and degrade them. Such a critical innate immune function necessitates ion participation. Chloride, the most abundant anion in the human body, is an indispensable constituent of the myeloperoxidase (MPO)-H2 O2 -halide system that produces the potent microbicide hypochlorous acid (HOCl). It also serves as a balancing ion to set membrane potentials, optimize cytosolic and phagosomal pH, and regulate phagosomal enzymatic activities. Deficient supply of this anion to or defective attainment of this anion by phagocytes is linked to innate immune defects. However, how phagocytes acquire chloride from their residing environment especially when they are deployed to epithelium-lined lumens, and how chloride is intracellularly transported to phagosomes remain largely unknown. This review article will provide an overview of chloride protein carriers, potential mechanisms for phagocytic chloride preservation and acquisition, intracellular chloride supply to phagosomes for oxidant production, and methods to measure chloride levels in phagocytes and their phagosomes. PMID:27558337

  10. Intermolecular electron transfer states of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium iodide obtained by constrained density functional theory.

    PubMed

    Otsuka, Takao; Sumita, Masato; Izawa, Hironori; Morihashi, Kenji

    2016-07-21

    Electron transfer (ET) states of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium iodide are responsible for its photophysics. Investigation of an ET state based on constrained density functional theory (CDFT) revealed that nonradiative decay from the ET excited state is mediated by the interaction of the iodine atom with the 1,8-naphthalimide or the imidazolium group. PMID:27222312

  11. Strontium-89 Chloride

    MedlinePlus

    ... ask your doctor or pharmacist for more information.Strontium-89 chloride is in a class of drugs known as radioisotopes. It delivers radiation to cancer sites and ultimately decreases bone pain. The length of treatment depends on the ...

  12. Mercuric chloride poisoning

    MedlinePlus

    ... Mercuric chloride is a very poisonous form of mercury. It is a type of mercury salt. There are different types of mercury poisonings . This article discusses poisoning from swallowing mercuric ...

  13. Hydrogen chloride test set

    NASA Technical Reports Server (NTRS)

    Workman, G. L.

    1976-01-01

    Detector uses tertiary amine, which makes reaction fairly specific for relatively small highly polarized hydrogen chloride molecule. Reaction is monitored by any microbalance capable of measuring extremely small mass differences in real time.

  14. Changes in zeta potential of imidazolium ionic liquids modified minerals--Implications for determining mechanism of adsorption.

    PubMed

    Markiewicz, Marta; Mrozik, Wojciech; Rezwan, Kurosch; Thöming, Jorg; Hupka, Jan; Jungnickel, Christian

    2013-01-01

    As the amount of industrial processes involving ionic liquids (ILs) increase the question of their environmental fate awaits an answer. Should ILs become a source of pollution they will primarily be found in soils and water. Interaction of imidazolium IL with soils is a complex interplay of many parameters making predicting their fate and mobility a challenging task. In order to shed more light on the mechanism of adsorption in soils we examined the interactions of imidazolium ILs with the major component of soils, namely mineral fraction. Within this work adsorption on kaolinite and quartz was investigated in terms of adsorption isotherms, partition coefficients and changes of zeta potentials of clays modified by ILs aggregates. The zeta potential was found to be dependent on the alkyl chain length of the imidazolium homologues. It can therefore be concluded that although adsorption seems to rely on electrostatic attraction, at least in the initial stage, the hydrophobicity of molecules is just as significant. PMID:23079161

  15. Bicyclic imidazolium ionic liquids as potential electrolytes for rechargeable lithium ion batteries

    SciTech Connect

    Liao, Chen; Shao, Nan; Bell, Jason R; Guo, Bingkun; Luo, Huimin; Jiang, Deen; Dai, Sheng

    2013-01-01

    A bicyclic imidazolium ionic liquids, 1-ethyl-2,3-trimethyleneimidazolium bis(tri fluoromethane sulfonyl)imide ([ETMIm][TFSI]), and reference imidazolium compounds, 1-ethyl-3-methylimidazolium bis(trifluoromethane sulfonyl)imide ([EMIm][TFSI]) and 1, 2-dimethyl-3-butylimidazolium bis(trifluoromethane sulfonyl)imide ([DMBIm][TFSI]), were synthesized and investigated as solvents for lithium ion batteries. Although the alkylation at the C-2 position of the imidazolium ring does not affect the thermal stability of the ionic liquids, with or without the presence of 0.5 molar lithium bis(trifluoromethane sulfonyl)imide (LiTFSI), the stereochemical structure of the molecules has shown profound influences on the electrochemical properties of the corresponding ionic liquids. [ETMIm][TFSI] shows better reduction stability than do [EMIm][TFSI] and [DMBIm][TFSI], as confirmed by both linear sweep voltammery (LSV) and theoretical calculation. The Li||Li cell impedance of 0.5M LiTFSI/[ETMIm][TFSI] is stabilized, whereas that of 0.5M LiTFSI/[DMBIm][TFSI] is still fluctuating after 20 hours, indicating a relatively stable solid electrolyte interphase (SEI) is formed in the former. Furthermore, the Li||graphite half-cell based on 0.5M LiTFSI/[BTMIm][TFSI] exhibits reversible capacity of 250mAh g-1 and 70mAh g-1 at 25 C, which increases to 330 mAh g-1 and 250 mAh g-1 at 50 C, under the current rate of C/20 and C/10, respectively. For comparison, the Li||graphite half-cell based on 0.5M LiTFSI/[DMBIm][TFSI] exhibits poor capacity retention under the same current rate at both temperatures.

  16. Enantioselective toxicities of chiral ionic liquids 1-alkyl-3-methyl imidazolium tartrate on Scenedesmus obliquus.

    PubMed

    Liu, Huijun; Zhang, Xiaoqiang; Dong, Ying; Chen, Caidong; Zhu, Shimin; Ma, Xiangjuan

    2015-12-01

    Ionic liquids (ILs) are being used in various industries during the last few decades, while the good solubility and high stability of ILs may pose a potential threat to the aquatic environment. Effect of chiral ionic liquids (CILs) 1-alkyl-3-methyl imidazolium tartrate (RMIM T) on Scenedesmus obliquus (S.obliquus) was studied. The growth rate inhibition and cell membrane permeability increased with increasing RMIM T concentration and increasing alkyl chain lengths. The IC50 values of D-(-)-tartrate 1-hexyl-3-methyl imidazolium (D-(-)-HMIM T) were 28.30, 12.23,10.15 and 14.41 mg/L, respectively, at 24, 48, 72 and 96h. While that of L-(+)-tartrate 1-hexyl-3-methyl imidazolium (L-(+)-HMIM T) were 15.97, 7.91, 9.43 and 12.04 mg/L respectively. The concentration of chl a, chl b and chl (a+b) decreased with increasing RMIM T concentration. The chlorophyll fluorescence parameters (F0, Fv/Fm, Fv/F0, Y(II), ETR and NPQ) were affected by RMIM T, indicating that the RMIM T will damage the PSII, inhibit the transmission of excitation energy, decrease the efficiency of photosynthesis. The results showed that there were enantioselective toxicity of RMIM T to algae, and the toxicity of L-(+)-RMIM T was greater than that of D-(-)-RMIM T, but the enantioselective difference becomes smaller with increasing exposure time, and with the increasing carbon chain length of cation, indicating that cation properties may have a larger effect on toxicity than anion properties. PMID:26554523

  17. Selective Activation of Fluoroalkenes with N-Heterocyclic Carbenes: Synthesis of N-Heterocyclic Fluoroalkenes and Polyfluoroalkenyl Imidazolium Salts.

    PubMed

    Leclerc, Matthew C; Gorelsky, Serge I; Gabidullin, Bulat M; Korobkov, Ilia; Baker, R Tom

    2016-06-01

    Selective reactions between nucleophilic N,N'-diaryl-heterocyclic carbenes (NHCs) and electrophilic fluorinated alkenes afford NHC fluoroalkenes in high yields. These stable compounds undergo efficient and selective fluoride abstraction with Lewis acids to give polyfluoroalkenyl imidazolium salts. These salts react at Cβ with pyrrolidine to give ammonium fluoride-substituted salts, which give rise to conjugated imidazolium-enamine salts through loss of HF. Alternatively, reaction with 4-(dimethylamino)-pyridine provides a Cα-pyridinium-substituted NHC fluoroalkene. These compounds were studied using multinuclear NMR spectroscopy, mass spectrometry, and X-ray crystallography. Insight into their electronic structure and reactivity was gained through the use of DFT calculations. PMID:27142160

  18. Solvent Extraction Separation of La3+ and Ba2+ using Imidazolium Ionic Liquids and TODGA Extractant

    SciTech Connect

    Bell, Jason R; Dai, Sheng; Luo, Huimin

    2012-01-01

    Solvent extractions of La3+ and Ba2+ by N,N,N ,N -tetra(n-octyl)diglycolamide (TODGA) from aqueous solutions in twelve imidazolium-based ionic liquids (ILs), 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide / bis(perfluoroethylsulfonyl)imide ([Cnmim][NTf2]/[BETI], n = 2,3, 4, 6, 8, 10) were investigated. The corresponding extraction efficiencies were found to be dependent on concentration of TODGA used, the acidity of aqueous phase, alkyl chain length on IL cation, and IL anion as well.

  19. The role of the anion in the toxicity of imidazolium ionic liquids.

    PubMed

    Biczak, Robert; Pawłowska, Barbara; Bałczewski, Piotr; Rychter, Piotr

    2014-06-15

    From the environmental protection point of view, the growing interest of ionic liquids in various industrial branches has raised concerns for the toxicity assessment of these compounds. The paper discusses the effect of salts containing the shared 1-ethyl-3-methylimidazolium [EMIM] cation as coupled with five different anions: bromide [Br], nitrate [NO3], p-toluenesulfonate (tosylate) [Ts], dimethylphosphate [dMP] and methanesulfonate [MS] on the growth and development of higher land plants - spring barley and common radish. The experiment was done according to the ISO Standard 11269-2:1995 and the OECD/OCDE Guide 208/2006. As the indications of phytotoxicity, the percentage of sprouts and the level of dry and fresh plant mass were used; in addition, the visual assessment of any signs of damage to the examined plant species, such as growth inhibition and chlorotic changes, was also made. Results of our study has proved the negative impact of ILs on the tested plants and the toxic effect of imidazolium salts was dependent primarily on the applied ionic liquids concentration. The common radish revealed the higher tolerance to the imidazolium as compared to spring barley. The anion type of ionic liquid was crucial for the toxicity against common radish. PMID:24793294

  20. Functionalized imidazolium and benzimidazolium salts as paraoxonase 1 inhibitors: Synthesis, characterization and molecular docking studies.

    PubMed

    Karataş, Mert Olgun; Uslu, Harun; Alıcı, Bülent; Gökçe, Başak; Gencer, Nahit; Arslan, Oktay; Arslan, N Burcu; Özdemir, Namık

    2016-03-15

    Paraoxonase (PON) is a key enzyme in metabolism of living organisms and decreased activity of PON1 was acknowledged as a risk for atherosclerosis and organophosphate toxicity. The present study describes the synthesis, characterization, PON1 inhibitory properties and molecular docking studies of functionalized imidazolium and benzimidazolium salts (1a-5g). The structures of all compounds were elucidated by IR, NMR, elemental analysis and structures of compounds 2b and 2c were characterized by single-crystal X-ray diffraction. Compound 1c, a coumarin substituted imidazolium salt showed the best inhibitory effect on the activity of PON1 with good IC50 value (6.37 μM). Kinetic investigation was evaluated for this compound and results showed that this compound is competitive inhibitor of PON1 with Ki value of 2.39 μM. Molecular docking studies were also performed for most active compound 1c and one of least active compound 2c in order to determine the probable binding model into active site of PON1 and validation of the experimental results. PMID:26879855

  1. Synthesis and antitumor activity of novel N-substituted carbazole imidazolium salt derivatives

    PubMed Central

    Liu, Lan-Xiang; Wang, Xue-Quan; Zhou, Bei; Yang, Li-Juan; Li, Yan; Zhang, Hong-Bin; Yang, Xiao-Dong

    2015-01-01

    A series of novel N-substituted carbazole imidazolium salt derivatives has been prepared and investigated for their cytotoxic activity against five human tumor cell lines by MTS assay. The results indicated that the existence of 5,6-dimethyl-benzimidazole ring, substitution of the imidazolyl-3-position with a 2-bromobenzyl or naphthylacyl group, as well as alkyl chain length between carbazole and imidazole ring were important for the antitumor activity. Compound 61, bearing a 2-bromobenzyl substituent at position-3 of the 5,6-dimethyl-benzimidazole, showed powerful inhibitory activities and was more selective to HL-60, SMMC-7721, MCF-7 and SW480 cell lines with IC50 values 0.51–2.48 μM. Mechanism of action studies revealed that this new compound could remarkably induce cell cycle arrest and apoptosis in SMMC-7721 cells. This work provides alternative novel way for future drug development based on carbazole and imidazolium salt scaffolds. PMID:26287982

  2. Imidazolium salts as small-molecule urinary bladder exfoliants in a murine model.

    PubMed

    Wagers, Patrick O; Tiemann, Kristin M; Shelton, Kerri L; Kofron, William G; Panzner, Matthew J; Wooley, Karen L; Youngs, Wiley J; Hunstad, David A

    2015-09-01

    We present a novel family of small-molecule urinary bladder exfoliants that are expected to be of great value in preclinical studies of urologic conditions and have improved potential for translation compared with prior agents. There is broad urologic interest in the therapeutic potential of such exfoliating agents. The primary agent used in preclinical models, the cationic peptide protamine sulfate (PS), has limited translational potential due to concerns including systemic adverse reactions and bladder tissue injury. Intravesical application of a safe, systemically nontoxic exfoliant would have potential utility in the eradication of Escherichia coli and other uropathogens that reside in the bladder epithelium following cystitis, as well as in chronic bladder pain and bladder cancer. Here, we introduce a family of imidazolium salts with potent and focused exfoliating activity on the bladder epithelium. Synthesis and purification were straightforward and scalable, and the compounds exhibited prolonged stability in lyophilized form. Most members of the compound family were cytotoxic to cultured uroepithelial cells, with >10-fold differences in potency across the series. Upon topical (intravesical) administration of selected compounds to the murine bladder, complete epithelial exfoliation was achieved with physiologically relevant imidazolium concentrations and brief contact times. The exfoliative activity of these compounds was markedly improved in comparison to PS, as assessed by microscopy, immunofluorescence, and immunoblotting for uroplakins. Bladder uroepithelium regenerated within days to yield a histologically normal appearance, and no toxicity was observed. Finally, the chemical scaffold offers an opportunity for inclusion of antimicrobials or conjugation with chemotherapeutic or other moieties. PMID:26124168

  3. On the Extraction of Aromatic Compounds from Hydrocarbons by Imidazolium Ionic Liquids

    PubMed Central

    Cassol, Cláudia C.; Umpierre, Alexandre P.; Ebeling, Günter; Ferrera, Bauer; Chiaro, Sandra S. X.; Dupont, Jairton

    2007-01-01

    The liquid-liquid equilibrium for the ternary system formed by n-octane and aromatic (alkylbenzenes) and heteroaromatic compounds (nitrogen and sulfur containing heterocyles) and 1-alkyl-3-methylimidazolium ionic liquids (ILs) associated with various anions has been investigated. The selectivity on the extraction of a specific aromatic compound is influenced by anion volume, hydrogen bond strength between the anion and the imidazolium cation and the length of the 1-methyl-3-alkylimidazolium alkyl side chain. The interaction of alkylbenzenes and sulfur heterocyles with the IL is preferentially through CH-π hydrogen bonds and the quantity of these aromatics in the IL phase decreases with the increase of the steric hindrance imposed by the substituents on the aromatic nucleus. In the case of nitrogen heterocycles the interaction occurs preferentially through N(heteroaromatic)-H(imidazolium) hydrogen bonds and the extraction process is largely controlled by the nitrogen heterocycle pKa. Competitive extraction experiments suggest that benzene, pyridine and dibenzothiophene do not compete for the same hydrogen bond sites of the IL.

  4. Antibacterial Activity of Imidazolium-Based Ionic Liquids Investigated by QSAR Modeling and Experimental Studies.

    PubMed

    Hodyna, Diana; Kovalishyn, Vasyl; Rogalsky, Sergiy; Blagodatnyi, Volodymyr; Petko, Kirill; Metelytsia, Larisa

    2016-09-01

    Predictive QSAR models for the inhibitors of B. subtilis and Ps. aeruginosa among imidazolium-based ionic liquids were developed using literary data. The regression QSAR models were created through Artificial Neural Network and k-nearest neighbor procedures. The classification QSAR models were constructed using WEKA-RF (random forest) method. The predictive ability of the models was tested by fivefold cross-validation; giving q(2) = 0.77-0.92 for regression models and accuracy 83-88% for classification models. Twenty synthesized samples of 1,3-dialkylimidazolium ionic liquids with predictive value of activity level of antimicrobial potential were evaluated. For all asymmetric 1,3-dialkylimidazolium ionic liquids, only compounds containing at least one radical with alkyl chain length of 12 carbon atoms showed high antibacterial activity. However, the activity of symmetric 1,3-dialkylimidazolium salts was found to have opposite relationship with the length of aliphatic radical being maximum for compounds based on 1,3-dioctylimidazolium cation. The obtained experimental results suggested that the application of classification QSAR models is more accurate for the prediction of activity of new imidazolium-based ILs as potential antibacterials. PMID:27086199

  5. Effect of unsaturation on the absorption of ethane and ethylene in imidazolium-based ionic liquids.

    PubMed

    Moura, Leila; Mishra, Manas; Bernales, Varinia; Fuentealba, Patricio; Padua, Agilio A H; Santini, Catherine C; Costa Gomes, Margarida F

    2013-06-20

    The influence of the presence of imidazolium side chain unsaturation on the solubility of ethane and ethylene was studied in three ionic liquids: 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide-saturated alkyl side-chain in the cation; 1-methyl-3-(buten-3-yl)imidazolium bis(trifluorosulfonyl)imide-double bond in the side-chain of the cation; and 1-methyl-3-benzylimidazolium bis(trifluorosulfonyl)imide-benzyl group in the side-chain of the cation. The solubility of both gases decreases when the side-chain of the cations is functionalized with an unsaturated group. This can be explained by a less favorable enthalpy of solvation. The difference of solubility between ethane and ethylene can be explained from a balance of enthalpic and entropic factors: for the ionic liquid with the saturated alkyl side-chain and the benzyl-substituted side-chain, it is the favorable entropy of solvation that explains the larger ethylene solubility, whereas in the case of the saturated side-chain, it is the more favorable enthalpy of solvation. Molecular simulation allowed the identification of the mechanisms of solvation and the preferential solvation sites for each gas in the different ionic liquids. Simulations have shown that the entropy of solvation is more favorable when the presence of the gas weakens the cation-anion interactions or when the gas can be solvated near different sites of the ionic liquid. PMID:23713882

  6. Imidazolium Salts as Small-Molecule Urinary Bladder Exfoliants in a Murine Model

    PubMed Central

    Wagers, Patrick O.; Tiemann, Kristin M.; Shelton, Kerri L.; Kofron, William G.; Panzner, Matthew J.; Wooley, Karen L.; Youngs, Wiley J.

    2015-01-01

    We present a novel family of small-molecule urinary bladder exfoliants that are expected to be of great value in preclinical studies of urologic conditions and have improved potential for translation compared with prior agents. There is broad urologic interest in the therapeutic potential of such exfoliating agents. The primary agent used in preclinical models, the cationic peptide protamine sulfate (PS), has limited translational potential due to concerns including systemic adverse reactions and bladder tissue injury. Intravesical application of a safe, systemically nontoxic exfoliant would have potential utility in the eradication of Escherichia coli and other uropathogens that reside in the bladder epithelium following cystitis, as well as in chronic bladder pain and bladder cancer. Here, we introduce a family of imidazolium salts with potent and focused exfoliating activity on the bladder epithelium. Synthesis and purification were straightforward and scalable, and the compounds exhibited prolonged stability in lyophilized form. Most members of the compound family were cytotoxic to cultured uroepithelial cells, with >10-fold differences in potency across the series. Upon topical (intravesical) administration of selected compounds to the murine bladder, complete epithelial exfoliation was achieved with physiologically relevant imidazolium concentrations and brief contact times. The exfoliative activity of these compounds was markedly improved in comparison to PS, as assessed by microscopy, immunofluorescence, and immunoblotting for uroplakins. Bladder uroepithelium regenerated within days to yield a histologically normal appearance, and no toxicity was observed. Finally, the chemical scaffold offers an opportunity for inclusion of antimicrobials or conjugation with chemotherapeutic or other moieties. PMID:26124168

  7. Chloride removal from vitrification offgas

    SciTech Connect

    Slaathaug, E.J.

    1995-06-01

    This study identified and investigated techniques of selectively purging chlorides from the low-level waste (LLW) vitrification process with the purge stream acceptable for burial on the Hanford Site. Chlorides will be present in high concentration in several individual feeds to the LLW Vitrification Plant. The chlorides are highly volatile in combustion type melters and are readily absorbed by wet scrubbing of the melter offgas. The Tank Waste Remediation System (TWRS) process flow sheets show that the resulting chloride rich scrub solution is recycled back to the melter. The chlorides must be purged from the recycle loop to prevent the buildup of excessively high chloride concentrations.

  8. Dynamics of a caged imidazolium cation-toward understanding the order-disorder phase transition and the switchable dielectric constant.

    PubMed

    Zhang, Xi; Shao, Xiu-Dan; Li, Si-Chao; Cai, Ying; Yao, Ye-Feng; Xiong, Ren-Gen; Zhang, Wen

    2015-03-18

    A molecular compass-like behaviour is found in a perovskite-type cage compound (HIm)2[KCo(CN)6] (HIm = imidazolium cation). The dynamic changes in the HIm cation from the static to rotating state along with the rearrangement of the host cage result in switchable and anisotropic dielectric constants. PMID:25579450

  9. Alkyl-bis(imidazolium) salts: a new amphiphile platform that forms thermotropic and non-aqueous lyotropic bicontinuous cubic phases

    SciTech Connect

    Robertson, LA; Schenkel, MR; Wiesenauer, BR; Gin, DL

    2013-01-01

    New ionic amphiphiles with a hexyl-bridged bis(imidazolium) headgroup; Br-, BF4-, or Tf2N- anions; and a long n-alkyl tail can form thermotropic bicontinuous cubic liquid crystal phases in neat form and/or lyotropic bicontinuous cubic phases with several non-aqueous solvents or water.

  10. Strontium-89 Chloride

    MedlinePlus

    ... doctor if you have or have ever had bone marrow disease, blood disorders, or kidney disease.you should know that strontium-89 chloride may interfere with the normal menstrual cycle (period) in women and may stop sperm production in men. However, ...

  11. Lithium thionyl chloride battery

    SciTech Connect

    Saathoff, D.J.; Venkatasetty, H.V.

    1982-10-19

    The discharge rate and internal conductivity of electrochemical cell including a lithium anode, and a cathode and an electrolyte including LiAlCl4 and SOC2 is improved by the addition of an amount of a mixture containing AlCl3 and butyl pyridinium chloride.

  12. PHOTOOXIDATION OF ALLYL CHLORIDE

    EPA Science Inventory

    The photooxidation of allyl chloride was studied by irradiation either in 100-L Teflon bags or in a 22.7-cu m Teflon smog chamber in the presence of added NOx. In the absence of added hydrocarbons, the reaction involves a Cl atom chain, which leads to a highly reactive system. A ...

  13. Chloride Channels of Intracellular Membranes

    PubMed Central

    Edwards, John C.; Kahl, Christina R.

    2010-01-01

    Proteins implicated as intracellular chloride channels include the intracellular ClC proteins, the bestrophins, the cystic fibrosis transmembrane conductance regulator, the CLICs, and the recently described Golgi pH regulator. This paper examines current hypotheses regarding roles of intracellular chloride channels and reviews the evidence supporting a role in intracellular chloride transport for each of these proteins. PMID:20100480

  14. Radiation induced redox reactions and fragmentation of constituent ions in ionic liquids II. Imidazolium cations.

    SciTech Connect

    Shkrob, I. A.; Marin, T. W.; Chemerisov, S. D.; Hatcher, J.; Wishart, J.

    2011-04-14

    In part 1 of this study, radiolytic degradation of constituent anions in ionic liquids (ILs) was examined. The present study continues the themes addressed in part 1 and examines the radiation chemistry of 1,3-dialkyl substituted imidazolium cations, which currently comprise the most practically important and versatile class of ionic liquid cations. For comparison, we also examined 1,3-dimethoxy- and 2-methyl-substituted imidazolium and 1-butyl-4-methylpyridinium cations. In addition to identification of radicals using electron paramagnetic resonance spectroscopy (EPR) and selective deuterium substitution, we analyzed stable radiolytic products using {sup 1}H and {sup 13}C nuclear magnetic resonance (NMR) and tandem electrospray ionization mass spectrometry (ESMS). Our EPR studies reveal rich chemistry initiated through 'ionization of the ions': oxidation and the formation of radical dications in the aliphatic arms of the parent cations (leading to deprotonation and the formation of alkyl radicals in these arms) and reduction of the parent cation, yielding 2-imidazolyl radicals. The subsequent reactions of these radicals depend on the nature of the IL. If the cation is 2-substituted, the resulting 2-imidazolyl radical is relatively stable. If there is no substitution at C(2), the radical then either is protonated or reacts with the parent cation forming a C(2)-C(2) {sigma}{sigma}*-bound dimer radical cation. In addition to these reactions, when methoxy or C{sub {alpha}}-substituted alkyl groups occupy the N(1,3) positions, their elimination is observed. The elimination of methyl groups from N(1,3) was not observed. Product analyses of imidazolium liquids irradiated in the very-high-dose regime (6.7 MGy) reveal several detrimental processes, including volatilization, acidification, and oligomerization. The latter yields a polymer with m/z of 650 {+-} 300 whose radiolytic yield increases with dose (0.23 monomer units per 100 eV for 1-methyl-3-butylimidazolium

  15. Optimizing the electrochemical performance of imidazolium-based polymeric ionic liquids by varying tethering groups

    NASA Astrophysics Data System (ADS)

    Jia, Zhe

    Increasing efforts have been made in the area of sustainable alternative energy devices in the past few decades in order to develop high efficiency, low-cost electrochemical devices with sufficient long-term stability. Due to the drawbacks of conventional organic liquid electrolytes, such as leakage, volatility, flammability, and toxicity, the synthesis of solvent-free electrolyte materials has been studied world-wide. Among all the alternatives, polymer electrolytes are of great interest and have attracted many research groups. Solid-state polymer electrolytes and in particular, polymer ionic liquids (PILs), considered to be promising candidates, have been under studied widely. Ionic Liquids (ILs), defined as organic/inorganic salts with m.p. lower than 100 °C, offer good chemical stability, low flammability, negligible vapor pressure and high ionic conductivity. PILs, as the polymerized state of ILs, not only present some of the unique properties of ILs, but also benefit from the intrinsic properties of polymers, such as better thermal and chemical stability, enhanced mechanical properties, and tunable solution properties. The constrained structure of PILs may help to overcome fabrication and leakage problems associated with simple liquid electrolytes, but typically also leads to lower ionic conductivity. Once polymerized, the ionic conductivity of PILs drops substantially, usually by several orders of magnitude compared to the corresponding monomers. Therefore, to improve PILs chain mobilitiy is crucial. Previous studies suggest that a flexible tethering group should make the polymer backbone less rigid and increase electrolyte ion mobility. To investigate how tethering groups affect both electrochemical performance and physical properties of free ILs and PILs, we first report the synthesis and characterization of a novel class of imidazolium (Im) based IL model compounds and their corresponding PILs. Poly(ethylene oxide)s (PEOs), considered to be promising

  16. Observation of separate cation and anion electrophoretic mobilities in pure ionic liquids

    NASA Astrophysics Data System (ADS)

    Zhang, Zhiyang; Madsen, Louis A.

    2014-02-01

    Ionic liquids (ILs) continue to show relevance in many fields, from battery electrolytes, to carbon capture, to advanced separations. These highly ion-dense fluids present unique challenges in understanding their electrochemical properties due to deviations in behavior from existing electrolyte theories. Here we present a novel characterization of ILs using electrophoretic NMR (ENMR) to determine separate cation and anion mobilities. This method uses an applied electric field coincident with a pulsed magnetic field gradient to encode the E-field driven flow into NMR signals for cations (1H) and anions (19F). We describe the detailed design of these experiments, including quantitative analysis of artifact mitigation and necessary control experiments. We then explore mobilities and diffusion coefficients for two representative ILs: 1-ethyl-3-methyl imidazolium tetrafluoroborate ([C2mim][BF4]) and 1-ethyl-3-methyl imidazolium trifluoromethanesulfonate ([C2mim][TfO]). We further use the individual ion mobilities to calculate the bulk net conductivity, which closely agrees with bulk conductivity measurements obtained using impedance spectroscopy. These observations represent the first reliable measurements of cation and anion mobilities in pure ILs, with errors of ±7%. We discuss this advanced experimental methodology in detail, as well as implications of these sensitive measurements for understanding conduction mechanisms in ion-dense electrolytes.

  17. Observation of separate cation and anion electrophoretic mobilities in pure ionic liquids.

    PubMed

    Zhang, Zhiyang; Madsen, Louis A

    2014-02-28

    Ionic liquids (ILs) continue to show relevance in many fields, from battery electrolytes, to carbon capture, to advanced separations. These highly ion-dense fluids present unique challenges in understanding their electrochemical properties due to deviations in behavior from existing electrolyte theories. Here we present a novel characterization of ILs using electrophoretic NMR (ENMR) to determine separate cation and anion mobilities. This method uses an applied electric field coincident with a pulsed magnetic field gradient to encode the E-field driven flow into NMR signals for cations ((1)H) and anions ((19)F). We describe the detailed design of these experiments, including quantitative analysis of artifact mitigation and necessary control experiments. We then explore mobilities and diffusion coefficients for two representative ILs: 1-ethyl-3-methyl imidazolium tetrafluoroborate ([C2mim][BF4]) and 1-ethyl-3-methyl imidazolium trifluoromethanesulfonate ([C2mim][TfO]). We further use the individual ion mobilities to calculate the bulk net conductivity, which closely agrees with bulk conductivity measurements obtained using impedance spectroscopy. These observations represent the first reliable measurements of cation and anion mobilities in pure ILs, with errors of ±7%. We discuss this advanced experimental methodology in detail, as well as implications of these sensitive measurements for understanding conduction mechanisms in ion-dense electrolytes. PMID:24588161

  18. [Degradation of succinylcholine chloride].

    PubMed

    Németh, G; Török, I; Paál, T

    1993-05-01

    Quantitative thin-layer chormatographic method has been developed for the investigation of the degradation of injection formulations containing succinylcholinium chloride. The method is based on the denistometric determination of the main degradation product, choline at 430 nm after visualization with iodine vapour. The stability of the injection was investigated under various storage conditions and it has been stated that considerable decomposition takes place during as short a period as one week. PMID:8362654

  19. 1-Butyl-3-aminopropyl imidazolium-functionalized graphene oxide as a nanoadsorbent for the simultaneous extraction of steroids and β-blockers via dispersive solid-phase microextraction.

    PubMed

    Serrano, Maria; Chatzimitakos, Theodoros; Gallego, Mercedes; Stalikas, Constantine D

    2016-03-01

    In this study, we describe the synthesis of graphene oxide functionalized with the ionic liquid 1-butyl-3-aminopropyl imidazolium chloride and its use as an adsorbent for the dispersive solid-phase microextraction (micro SPE) of four anabolic steroids and six β-blockers from aqueous samples of environmental importance, prior to their HPLC-diode array detector analysis. As the ionic liquid is covalently attached to graphene oxide sheets, it is made possible for it to participate in the dispersive micro SPE procedure. The limits of detection and limits of quantification of the proposed method were found to be in the range of 7-23ng/L and between 20 and 70ng/L, respectively. The linearity was satisfactory, with the determination coefficients to range from 0.9940 to 0.9998 while the within- and between-day relative standard deviation of the method ranged between 3.1 and 7.6% and from 4.0 to 8.5%, respectively. In order to test the applicability of the proposed method in real-life samples, the effluent from a municipal wastewater treatment plant as well as natural water samples from two rivers and a lake were collected and analyzed. After the analysis of samples, the effluent from municipal wastewater treatment plant was fortified with the analytes, at concentrations equal to 2 and 10 times the LOQs. Recoveries were calculated after subtracting the native (no-spike) concentrations of analytes, when needed. All the recoveries were in the range of 87-98%. A comparison study attests to the superiority of the developed nanomaterial over graphene oxide and graphene for the dispersive micro SPE of steroids and β-blockers. PMID:26858116

  20. Choline chloride-thiourea, a deep eutectic solvent for the production of chitin nanofibers.

    PubMed

    Mukesh, Chandrakant; Mondal, Dibyendu; Sharma, Mukesh; Prasad, Kamalesh

    2014-03-15

    Deep eutectic solvents (DESs) consisting of the mixtures of choline halide (chloride/bromide)-urea and choline chloride-thiourea were used as solvents to prepare α-chitin nanofibers (CNFs). CNFs of diameter 20-30 nm could be obtained using the DESs comprising of the mixture of choline chloride and thiourea (CCT 1:2); however, NFs could not be obtained using the DESs having urea (CCU 1:2) as hydrogen bond donor. The physicochemical properties of thus obtained NFs were compared with those obtained using a couple of imidazolium based ionic liquids namely, 1-butyl-3-methylimidazolium hydrogen sulphate [(Bmim)HSO4] and 1-methylimidazolium hydrogen sulphate [(Hmim)HSO4] as well as choline based bio-ILs namely, choline hydrogen sulphate [(Chol)HSO4] and choline acrylate. The CNFs obtained using the DES as a solvent were used to prepare calcium alginate bio-nanocomposite gel beads having enhanced elasticity in comparison to Ca-alginate beads. The bio-nanocomposite gel beads thus obtained were used to study slow release of 5-fluorouracil, an anticancer drug. PMID:24528755

  1. Structural diversity, physicochemical properties and application of imidazolium surfactants: Recent advances.

    PubMed

    Bhadani, Avinash; Misono, Takeshi; Singh, Sukhprit; Sakai, Kenichi; Sakai, Hideki; Abe, Masahiko

    2016-05-01

    The current review covers recent advances on development and investigation of cationic surfactants containing imidazolium headgroup, which are being extensively investigated for their self-aggregation properties and are currently being utilized in various conventional and non-conventional application areas. These surfactants are being used as: soft template for synthesis of mesoporous/microporous materials, drug and gene delivery agent, stabilizing agent for nanoparticles, dispersants for single/multi walled carbon nanotubes, antimicrobial and antifungal agent, viscosity modifiers, preparing nanocomposite materials, stabilizing microemulsions, corrosion inhibitors and catalyst for organic reactions. Recently several structural derivatives of these surfactants have been developed having many interesting physicochemical properties and they have demonstrated enormous potential in the area of nanotechnology, material science and biomedical science. PMID:27063924

  2. High Photothermal Activity within Neutral Nickel Dithiolene Complexes Derived from Imidazolium-Based Ionic Liquids.

    PubMed

    Mebrouk, Kenny; Camerel, Franck; Jeannin, Olivier; Heinrich, Benoit; Donnio, Bertrand; Fourmigué, Marc

    2016-02-01

    A new series of nickel N,N'-dialkylimidazolidine-2,4,5-trithione complexes ([Ni(R2timdt)2]) carrying linear or branched carbon chains (R = n-C4H9, n-C8H17, n-C12H25, n-C16H33, 2-ethylhexyl, 2-butyloctyl, phytanyl) have been obtained through an original synthetic pathway starting from easily available imidazolium-based ionic liquids. The chemical structures of these nickel complexes were confirmed by NMR and high-resolution mass spectroscopies as well as by X-ray analysis performed on single crystals. The complexes strongly absorb in the near-IR (NIR) region around 1000 nm, with high extinction coefficients reaching 80 000 M(-1) cm(-1). They are able to efficiently convert NIR light into heat under laser irradiation with very high photothermal conversion efficiencies (around 30%). PMID:26788960

  3. Macroscopic photocontrol of ion-transporting pathways of a nanostructured imidazolium-based photoresponsive liquid crystal.

    PubMed

    Soberats, Bartolome; Uchida, Emi; Yoshio, Masafumi; Kagimoto, Junko; Ohno, Hiroyuki; Kato, Takashi

    2014-07-01

    The photocontrol of the macroscopic alignment of nanostructured 2D ion-transporting pathways is described. The uniplanar homogeneous alignment of the thermotropic smectic (Sm) liquid-crystalline (LC) phase has been successfully achieved via photoinduced reorientation of the azobenzene groups of the imidazolium-based LC material. The ionic layers of the Sm LC phase are macroscopically oriented perpendicular to the surface of the glass substrate. The oriented films show anisotropic ion conduction in the Sm phase. This is the first example of the macroscopic photoalignment of ion-conductive LC arrays. Reversible switching of homeotropic and homogeneous alignments has also been achieved for the LC material. These materials and the alignment methodology may be useful in the development of ion-based circuits and memory devices. PMID:24958446

  4. Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion--synthesis, structures and reactivity.

    PubMed

    Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander

    2015-04-28

    Investigation of the properties of carbene complexes is one of the most important fields of modern coordination chemistry. In this paper, we propose the convenient synthesis of NHC-nickel compounds. The 9-nickelafluorenyllithium complex reacts with imidazolium or imidazolinium salts to afford 9-nickelafluorenyl-NHC salts via ionic metathesis with very good yields (66-92%). These compounds can be isomerised at elevated temperatures to give Ni-NHC complexes with excellent yields (88-91%), probably via nickel mediated hydrogen transfer to the biphenyl moiety. In this reaction, the nickelacyclic ring itself serves as a base in the deprotonation of the carbene precursor. DFT calculations show the thermodynamic instability of the synthesized salts, with Gibbs free energy differences for 1 of -84 kJ mol(-1) at 298 K and -167 kJ mol(-1) at 374 K. The obtained salts and carbene complexes are relatively air and moisture stable in the solid state. PMID:25786198

  5. Thermodynamics of Imidazolium-Based Ionic Liquids Containing PF6 Anions.

    PubMed

    Zaitsau, Dzmitry H; Yermalayeu, Andrei V; Emel'yanenko, Vladimir N; Butler, Simon; Schubert, Thomas; Verevkin, Sergey P

    2016-08-18

    Imidazolium-based ionic liquids (ILs) with PF6(-) anions are considered as low-cost solvents for separation processes, but they exhibit restricted thermal stabilities. Reliable measurements of vaporization thermodynamics by conventional methods have failed. In this work, we applied a quartz-crystal microbalance method to determine for the first time the absolute vapor pressures for the [Cnmim][PF6] family, with n = 2, 4, 6, 8, and 10, in the temperature range 403-461 K. An absence of decomposition of ILs in experimental conditions was determined by the attenuated total reflection-infrared spectroscopy. The consistency of the experimental results within the homologous series was established through enthalpy and entropy analyses of the liquid and gas phases as well as by molecular dynamics simulations. PMID:27462931

  6. A detailed assignment of NEXAFS resonances of imidazolium based ionic liquids.

    PubMed

    Ehlert, Christopher; Holzweber, Markus; Lippitz, Andreas; Unger, Wolfgang E S; Saalfrank, Peter

    2016-03-16

    In Near Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy X-Ray photons are used to excite tightly bound core electrons to low-lying unoccupied orbitals of the system. This technique offers insight into the electronic structure of the system as well as useful structural information. In this work, we apply NEXAFS to two kinds of imidazolium based ionic liquids ([CnC1im](+)[NTf2](-) and [C4C1im](+)[I](-)). A combination of measurements and quantum chemical calculations of C K and N K NEXAFS resonances is presented. The simulations, based on the transition potential density functional theory method (TP-DFT), reproduce all characteristic features observed by the experiment. Furthermore, a detailed assignment of resonance features to excitation centers (carbon or nitrogen atoms) leads to a consistent interpretation of the spectra. PMID:26948544

  7. Highly Efficient Catalysis of Retro-Claisen Reactions: From a Quinone Derivative to Functionalized Imidazolium Salts.

    PubMed

    Visbal, Renso; Laguna, Antonio; Gimeno, M Concepción

    2016-03-14

    A new and efficient method for the preparation of several imidazolium salts containing an ester group in the C4 position of the aromatic ring through a retro-Claisen reaction pathway between a quinone derivative and several alcohols is described. This new organic transformation proceeds in the absence of a catalyst, but it is greatly catalyzed by different Lewis acids, especially with AgOAc at a very low catalyst loading and in very short reaction times. The process takes place by the nucleophilic attack of the carbonyl groups by the alcohol functionality, thus promoting a double C-C bond cleavage and C-H and C-O bond formation. This reaction represents the first example of this type between a quinone derivative and alcohols. PMID:26864976

  8. Chloride channels as drug targets

    PubMed Central

    Verkman, Alan S.; Galietta, Luis J. V.

    2013-01-01

    Chloride channels represent a relatively under-explored target class for drug discovery as elucidation of their identity and physiological roles has lagged behind that of many other drug targets. Chloride channels are involved in a wide range of biological functions, including epithelial fluid secretion, cell-volume regulation, neuroexcitation, smooth-muscle contraction and acidification of intracellular organelles. Mutations in several chloride channels cause human diseases, including cystic fibrosis, macular degeneration, myotonia, kidney stones, renal salt wasting and hyperekplexia. Chloride-channel modulators have potential applications in the treatment of some of these disorders, as well as in secretory diarrhoeas, polycystic kidney disease, osteoporosis and hypertension. Modulators of GABAA (γ-aminobutyric acid A) receptor chloride channels are in clinical use and several small-molecule chloride-channel modulators are in preclinical development and clinical trials. Here, we discuss the broad opportunities that remain in chloride-channel-based drug discovery. PMID:19153558

  9. Aggregation behavior in water of new imidazolium and pyrrolidinium alkycarboxylates protic ionic liquids.

    PubMed

    Anouti, Meriem; Jones, Jennifer; Boisset, Aurélien; Jacquemin, Johan; Caillon-Caravanier, Magaly; Lemordant, Daniel

    2009-12-01

    A novel class of anionic surfactants was prepared through the neutralization of pyrrolidine or imidazole by alkylcarboxylic acids. The compounds, namely the pyrrolidinium alkylcarboxylates ([Pyrr][C(n)H(2n+1)COO]) and imidazolium alkylcarboxylates ([Im][C(n)H(2n+1)COO]), were obtained as ionic liquids at room temperature. Their aggregation behavior has been examined as a function of the alkyl chain length (from n=5 to 8) by surface tensiometry and conductivity. Decreases in the critical micelle concentration (cmc) were obtained, for both studied PIL families, when increasing the anionic alkyl chain length (n). Surprisingly, a large effect of the alkyl chain length was observed on the minimum surface area per surfactant molecule (A(min)) and, hence the maximum surface excess concentration (Gamma(max)) when the counterion was the pyrrolidinium cation. This unusual comportment has been interpreted in term of a balance between van der Waals and coulombic interactions. Conductimetric measurements permit determination of the degree of ionization of the micelle (a) and the molar conductivity (Lambda(M)) of these surfactants as a function of n. The molar conductivities at infinite dilution in water (Lambda(infinity)) of the [Pyrr]+ and [Im]+ cations have been then determined by using the classical Kohlraush equation. Observed change in the physicochemical, surface, and micellar properties of these new protonic ionic liquid surfactants can be linked to the nature of the cation. By comparison with classical anionic surfactants having inorganic counterions, pyrrolidinium alkylcarboxylates and imidazolium alkylcarboxylates exhibit a higher ability to aggregate in aqueous solution, demonstrating their potential applicability as surfactant. PMID:19758596

  10. Guide to CO{sub 2} separations in imidazolium-based room-temperature ionic liquids

    SciTech Connect

    Bara, J.E.; Carlisle, T.K.; Gabriel, C.J.; Camper, D.; Finotello, A.; Gin, D.L.; Noble, R.D.

    2009-03-18

    Room-temperature ionic liquids (RTILs) are nonvolatile, tunable solvents. The solubilities of gases, particularly CO{sub 2}, N{sub 2}, and CH{sub 4}, have been studied in a number of RTILs. Process temperature and the chemical structures of the cation and anion have significant impacts on gas solubility and gas pair selectivity. Models based on regular solution theory and group contributions are useful to predict and explain CO{sub 2} solubility and selectivity in imidazolium-based RTILs. In addition to their role as a physical solvent, RTILs might also be used in supported ionic liquid membranes (SILMs) as a highly permeable and selective transport medium. Performance data for SILMs indicates that they exhibit large permeabilities as well as CO{sub 2}/N{sub 2} selectivities that outperform many polymer membranes. Furthermore, the greatest potential of RTILs for CO{sub 2} separations might lie in their ability to chemically capture CO{sub 2} when used in combination with amines. Amines can be tethered to the cation or the anion, or dissolved in RTILs, providing a wide range of chemical solvents for CO{sub 2} capture. However, despite all of their promising features, RTILs do have drawbacks to use in CO{sub 2} separations, which have been overlooked as appropriate comparisons of RTILs to common organic solvents and polymers have not been reported. A thorough summary of the capabilities-and limitations-of imidazolium-based RTILs in CO{sub 2}-based separations with respect to a variety of materials is thus provided.

  11. Molecular dynamics simulation of imidazolium-based ionic liquids. II. Transport coefficients.

    PubMed

    Kowsari, M H; Alavi, Saman; Ashrafizaadeh, Mahmud; Najafi, Bijan

    2009-01-01

    A systematic molecular dynamics study is performed to determine the dynamics and transport properties of 12 room-temperature ionic liquids family with 1-alkyl-3-methylimidazolium cation, [amim](+) (alkyl = methyl, ethyl, propyl, and butyl), with counterions, PF(6)(-), NO(3)(-), and Cl(-). The goal of the work is to provide molecular level understanding of the transport coefficients of these liquids as guidance to experimentalists on choosing anion and cation pairs to match required properties of ionic liquid solvents. In the earlier paper (Part I), we characterized the dynamics of ionic liquids and provided a detailed comparison of the diffusion coefficients for each ion using the Einstein and Green-Kubo formulas. In this second part, other transport properties of imidazolium salts are calculated, in particular, the electrical conductivity is calculated from the Nernst-Einstein and Green-Kubo formulas. The viscosity is also determined from the Stokes-Einstein relation. The results of the calculated transport coefficients are consistent with the previous computational and experimental studies of imidazolium salts. Generally, the simulations give electrical conductivity lower than experiment while the viscosity estimate is higher than experiment. Within the same cation family, the ionic liquids with the NO(3)(-) counterion have the highest electrical conductivities: sigma[NO(3)](-)>sigma[PF(6)](-)>sigma[Cl](-). The [dmim][X] series, due to their symmetric cationic structure and good packing and the [bmim][X] series due to higher inductive van der Waals interactions of [bmim](+), have the highest viscosities in these ionic liquid series. Our simulations show that the major factors determining the magnitude of the self-diffusion, electrical conductivity, and viscosity are the geometric shape, ion size, and the delocalization of the ionic charge in the anion. PMID:19140627

  12. Synthesis and micellar properties of surface-active ionic liquids: 1-alkyl-3-methylimidazolium chlorides.

    PubMed

    El Seoud, Omar A; Pires, Paulo Augusto R; Abdel-Moghny, Thanaa; Bastos, Erick L

    2007-09-01

    A series of surface-active ionic liquids, RMeImCl, has been synthesized by the reaction of purified 1-methylimidazole and 1-chloroalkanes, RCl, R=C(10),C(12),C(14), and C(16), respectively. Adsorption and aggregation of these surfactants in water have been studied by surface tension measurement. Additionally, solution conductivity, electromotive force, fluorescence quenching of micelle-solubilized pyrene, and static light scattering have been employed to investigate micelle formation. The following changes resulted from an increase in the length of R: an increase of micelle aggregation number; a decrease of: minimum area/surfactant molecule at solution/air interface; critical micelle concentration, and degree of counter-ion dissociation. Theoretically-calculated aggregation numbers and those based on quenching of pyrene are in good agreement. Gibbs free energies of adsorption at solution/air interface, DeltaG(ads)(0), and micelle formation in water, DeltaG(mic)(0), were calculated, and compared to those of three surfactant series, alkylpyridinium chlorides, RPyCl, alkylbenzyldimethylammonium chlorides, RBzMe(2)Cl, and benzyl(3-acylaminoethyl)dimethylammonium chlorides, R(')AEtBzMe(2)Cl, respectively. Contributions to the above-mentioned Gibbs free energies from surfactant methylene groups (in the hydrophobic tail) and the head-group were calculated. For RMeImCl, the former energy is similar to that of other cationic surfactants. The corresponding free energy contribution of the head-group to DeltaG(mic)(0) showed the following order: RPyCl approximately RBzMe(2)Cl>RMeImCl>R(')AEtBzMe(2)Cl. The head-groups of the first two surfactant series are more hydrophobic than the imidazolium ring of RMeImCl, this should favor their aggregation. Micellization of RMeImCl, however, is driven by a relatively strong hydrogen-bonding between the chloride ion and the hydrogens in the imidazolium ring, in particular the relatively acidic H2. This interaction more than compensates for

  13. Oxomemazine hydro-chloride.

    PubMed

    Siddegowda, M S; Butcher, Ray J; Akkurt, Mehmet; Yathirajan, H S; Ramesh, A R

    2011-08-01

    IN THE TITLE COMPOUND [SYSTEMATIC NAME: 3-(5,5-dioxo-phen-othia-zin-10-yl)-N,N,2-trimethyl-propanaminium chloride], C(18)H(23)N(2)O(2)S(+)·Cl(-), the dihedral angle between the two outer aromatic rings of the phenothia-zine unit is 30.5 (2)°. In the crystal, the components are linked by N-H⋯Cl and C-H⋯Cl hydrogen bonds and C-H⋯π inter-actions. PMID:22090928

  14. Crystal structure of 1-butyl-2,3-di-methyl-imidazolium dicarba-7,8-nido-undeca-borate.

    PubMed

    Klemes, M J; Soderstrom, L; Hunting, J L; Larsen, A S

    2015-03-01

    In the title mol-ecular salt, C9H17N2 (+)·C2H12B9 (-), the carborane cage has a bridging B-H-B bond on the open B3C2 face. The butyl side chain of the cation adopts an extended conformation [C-C-C-C = 179.6 (1)°]. In the crystal, the imidazolium ring is almost coplanar with the open face of the carborane anion. The cations stack in the [010] direction and the dihedral angle between the imidazolium rings of adjacent cations is 68.45 (6)°. The butyl chains extend into the space between carborane anions. PMID:25844238

  15. Strong tendency of homeotropic alignment and anisotropic lithium ion conductivity of sulfonate functionalized zwitterionic imidazolium ionic liquid crystals.

    PubMed

    Rondla, Rohini; Lin, Joseph C Y; Yang, C T; Lin, Ivan J B

    2013-09-17

    Here, we report the first attempt to investigate the liquid crystal (LC) behavior of SO3(-) functionalized imidazolium zwitterionic (SO3(-)ImZI) salts, which display homeotropic alignment on a glass slide without the aid of any aligning approach. Doping lithium salt to ImZI salts lowers the melting temperatures and raises the clearing temperatures substantially to form room temperature ImZILCs. Excellent anisotropic lithium ion conductivity is achieved; which is strengthened by their tendency for homeotropic alignment. PMID:24010889

  16. Degradation of imidazolium- and quaternary ammonium-functionalized poly(fluorenyl ether ketone sulfone) anion exchange membranes.

    PubMed

    Chen, Dongyang; Hickner, Michael A

    2012-11-01

    Imidazolium and quaternary ammonium-functionalized poly(fluorenyl ether ketone sulfone)s were synthesized successfully with the same degree of cationic functionalization and identical polymer backbones for a comparative study of anion exchange membranes (AEMs) for solid-state alkaline membrane fuel cells (AMFCs). Both anion exchange membranes were synthesized using a new methyl-containing monomer that avoided the use of toxic chloromethylation reagents. The polymer chemical structures were confirmed by ¹H NMR and FTIR. The derived AEMs were fully characterized by water uptake, anion conductivity, stability under aqueous basic conditions, and thermal stability. Interestingly, both the cationic groups and the polymer backbone were found to be degraded in 1 M NaOH solution at 60 °C over 48 h as measured by changes of ion exchange capacity and intrinsic viscosity. Imidazolium-functionalized poly(fluorenyl ether ketone sulfone)s had similar aqueous alkaline stability to quaternary ammonium-functionalized materials at 60 °C but much lower stability at 80 °C. This work demonstrates that quaternary ammonium and imidazolium cationic groups are not stable on poly(arylene ether sulfone) backbones under relatively mild conditions. Additionally, the poly(arylene ether sulfone) backbone, which is one of the most common polymers used in ion exchange membrane applications, is not stable in the types of molecular configurations analyzed. PMID:23067022

  17. Novel polystyrene microspheres functionalized by imidazolium and the electrocatalytic activity towards H2O2 of its Prussian blue composite

    NASA Astrophysics Data System (ADS)

    Mao, Hui; Song, Jinling; Zhang, Qian; Liu, Daliang; Gong, Naiqi; Li, Ying; Wu, Qiong; Verpoort, Francis; Song, Xi-Ming

    2013-05-01

    Copolymerization of styrene (St) and 1-vinyl-3-ethylimidazolium bromide (VEIB), novel poly(St-co-VEIB) microspheres were generated. Owing to the presence of imidazolium groups, such microspheres having an average diameter of 125 nm, behave electropositively when dispersed in aqueous solution. Furthermore, due to the presence of imidazolium groups, having a capacity of ion-exchange and weak reducibility on the surface of the PS microspheres, [Fe(CN)6]3- was absorbed on the surface of poly(St-co-VEIB) microspheres, and simultaneously, Fe3+ was reduced to Fe2+. Thus, in situ growth of Prussian blue (PB) nanoparticles could occur on the surface of poly(St-co-VEIB) microspheres without the addition of any other reducing agent. This methodology, utilizing the ion-exchange and weak reducibility properties of the imidazolium groups on the surface of micro-/nanostructures is a novel general method for assembling hierarchical nanostructured materials. Finally, the electrochemical property of the strawberry-like PS/PB composite microspheres was also investigated by applying a glassy carbon electrode. A good repeatability of the cyclic voltammetry responses, having a good linearity and sensitivity, for the electrocatalytic reduction of H2O2 was obtained.

  18. Degradation of Imidazolium- and Quaternary Ammonium-Functionalized Poly(fluorenyl ether ketone sulfone) Anion Exchange Membranes

    SciTech Connect

    Chen, DY; Hickner, MA

    2012-11-01

    Imidazolium and quaternary ammonium-functionalized poly(fluorenyl ether ketone sulfone)s were synthesized successfully with the same degree of cationic functionalization and identical polymer backbones for a comparative study of anion exchange membranes (AEMs) for solid-state alkaline membrane fuel cells (AMFCs). Both anion exchange membranes were synthesized using a new methyl-containing monomer that avoided the use of toxic chloromethylation reagents. The polymer chemical structures were confirmed by H-1 NMR and FTIR. The derived AEMs were fully characterized by water uptake, anion conductivity, stability under aqueous basic conditions, and thermal stability. Interestingly, both the cationic groups and the polymer backbone were found to be degraded in 1 M NaOH solution at 60 degrees C over 48 h as measured by changes of ion exchange capacity and intrinsic viscosity. Imidazolium-functionalized poly(fluorenyl ether ketone sulfone)s had similar aqueous alkaline stability to quaternary ammonium-functionalized materials at 60 degrees C but much lower stability at 80 degrees C. This work demonstrates that quaternary ammonium and imidazolium cationic groups are not stable on poly(arylene ether sulfone) backbones under relatively mild conditions. Additionally, the poly(arylene ether sulfone) backbone, which is one of the most common polymers used in ion exchange membrane applications, is not stable in the types of molecular configurations analyzed.

  19. 21 CFR 184.1297 - Ferric chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ferric chloride. 184.1297 Section 184.1297 Food... GRAS § 184.1297 Ferric chloride. (a) Ferric chloride (iron (III) chloride, FeC13, CAS Reg. No. 7705-08-0) may be prepared from iron and chlorine or from ferric oxide and hydrogen chloride. The...

  20. 21 CFR 184.1297 - Ferric chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ferric chloride. 184.1297 Section 184.1297 Food... Specific Substances Affirmed as GRAS § 184.1297 Ferric chloride. (a) Ferric chloride (iron (III) chloride... hydrogen chloride. The pure material occurs as hydroscopic, hexagonal, dark crystals. Ferric...

  1. 21 CFR 184.1297 - Ferric chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ferric chloride. 184.1297 Section 184.1297 Food... Specific Substances Affirmed as GRAS § 184.1297 Ferric chloride. (a) Ferric chloride (iron (III) chloride... hydrogen chloride. The pure material occurs as hydroscopic, hexagonal, dark crystals. Ferric...

  2. Benzalkonium Chloride and Glaucoma

    PubMed Central

    Kaufman, Paul L.; Kiland, Julie A.

    2014-01-01

    Abstract Glaucoma patients routinely take multiple medications, with multiple daily doses, for years or even decades. Benzalkonium chloride (BAK) is the most common preservative in glaucoma medications. BAK has been detected in the trabecular meshwork (TM), corneal endothelium, lens, and retina after topical drop installation and may accumulate in those tissues. There is evidence that BAK causes corneal and conjunctival toxicity, including cell loss, disruption of tight junctions, apoptosis and preapoptosis, cytoskeleton changes, and immunoinflammatory reactions. These same effects have been reported in cultured human TM cells exposed to concentrations of BAK found in common glaucoma drugs and in the TM of primary open-angle glaucoma donor eyes. It is possible that a relationship exists between chronic exposure to BAK and glaucoma. The hypothesis that BAK causes/worsens glaucoma is being tested experimentally in an animal model that closely reflects human physiology. PMID:24205938

  3. Ionic liquids as refolding additives: N'-alkyl and N'-(omega-hydroxyalkyl) N-methylimidazolium chlorides.

    PubMed

    Lange, Christian; Patil, Ganesh; Rudolph, Rainer

    2005-10-01

    The purpose of this work was to investigate the influence of a series of N'-alkyl and N'-(omega-hydroxy-alkyl)-N-methylimidazolium chlorides on the renaturation of two model proteins, namely hen egg white lysozyme and the single-chain antibody fragment ScFvOx. All tested ionic liquids acted as refolding enhancers, with varying efficacies and efficiencies. The results of the refolding screening could be interpreted by taking into account the effect of the studied ionic liquids on protein aggregation, together with the systematic variations of their influence on the stability of native proteins in solution. More hydrophobic imidazolium cations carrying longer alkyl chains were increasingly destabilizing, while terminal hydroxylation of the alkyl chain made the salts more compatible with protein stability. The studied ionic liquids can be classified as preferentially bound, slightly to moderately chaotropic cosolvents for proteins. PMID:16195554

  4. The Interactions between Imidazolium-Based Ionic Liquids and Stable Nitroxide Radical Species: A Theoretical Study.

    PubMed

    Zhang, Shaoze; Wang, Guimin; Lu, Yunxiang; Zhu, Weiliang; Peng, Changjun; Liu, Honglai

    2016-08-01

    In this work, the interactions between imidazolium-based ionic liquids and some stable radicals based on 2,2,6,6-tetramethylpiperidine-1-yloxyl (TEMPO) have been systematically investigated using density functional theory calculations at the level of M06-2x. Several different substitutions, such as hydrogen bonding formation substituent (OH) and ionic substituents (N(CH3)3(+) and OSO3(-)), are presented at the 4-position of the spin probe, which leads to additional hydrogen bonds or ionic interactions between these substitutions and ionic liquids. The interactions in the systems of the radicals containing ionic substitutions with ionic liquids are predicted much stronger than those in the systems of neutral radicals, resulting in a significant reduction of the mobility of ionic radicals in ionic liquids. To further understand the nature of these interactions, the natural bond order, atoms in molecules, noncovalent interaction index, electron density difference, energy decomposition analysis, and charge decomposition analysis schemes were employed. The additional ionic interactions between ionic radicals and counterions in ionic liquids are dominantly contributed from the electrostatic term, while the orbital interaction plays a major role in other interactions. The results reported herein are important to understand radical processes in ionic liquids and will be very useful in the design of task-specific ionic liquids to make the processes more efficient. PMID:27428048

  5. Highly Luminescent Salts Containing Well-Shielded Lanthanide-Centered Complex Anions and Bulky Imidazolium Countercations

    SciTech Connect

    Tang, Si-Fu; Lorbeer, Chantal; Wang, Xinjiao; Ghosh, Pushpal; Mudring, Anja-Verena

    2014-09-02

    Four salts containing imidazolium cations and europium(III)- or terbium(III)-centered complex anions have been successfully synthesized from an ethanol/H2O solution. The single-crystal X-ray diffraction analyses reveal that these compounds have a common formula of [R][Ln(DETCAP)4] [R = 1-ethyl-3-methylimidazolium (C2mim), Ln = Eu (1) and Tb (2); R = 1-butyl-3-methylimidazolium (C4mim), Ln = Eu (3) and Tb (4); DETCAP = diethyl-2,2,2-trichloroacetylphosphoramidate], in which the lanthanide centers are chelated by four chelating pseudo-β-diketonate ligands (DETCAP)-, forming the respective complex anions. Their thermal behaviors and stabilities were also investigated to study the role of the length of the side chain in the cations. Fluorescence measurements at both room temperature and liquid-nitrogen temperature show that these materials show intense characteristic europium(III) or terbium(III) emissions and have long decay times. Their overall quantum yields were determined to be in the range of 30–49%.

  6. Hormetic effect and mechanism of imidazolium-based ionic liquids on the nematode Caenorhabditis elegans.

    PubMed

    Zhu, Chun-Jie; Peng, Yong; Tong, Zhong-Hua; Lu, Li-Ya; Cui, Yin-Hua; Yu, Han-Qing

    2016-08-01

    In the present study, we used Caenorhabditis elegans assay system to investigate in hormetic effects of imidazolium-based bromide Ionic Liquids (ILs) and explored the possible underlying mechanism. Firstly, C. elegans was treated with ILs with different alkyl chain lengths at different concentrations. We found that exposure to ILs at 0.01 mg/L extended the mean lifespan of C. elegans and the ILs with longer alkyl chain showed more obvious effects. To investigate the possible mechanism, the nematodes were exposed to the three ILs at 0.01 mg/L for 2, 5, 7, 9 and 11 days. The levels of reactive oxygen species (ROS) in C. elegans increased significantly when treated for 2 days and then declined gradually compared to those of respective controls as time went on. After exposure for 11 days, the ROS levels and liposuscin accumulation were significantly lower in the treated groups than those of control group. Meanwhile, the expression of aging-related genes sod-5 and daf-16 were both massively up-regulated for the three ILs examined. Our results show that low concentration of ILs exert hormetic effect on C. elegans. ROS generation and expression of aging-related genes may play important roles in the IL-induced hormetic effect on C. elegans. PMID:27209554

  7. Experiment and DFT studies on radioiodine removal and storage mechanism by imidazolium-based ionic liquid.

    PubMed

    Cao, Bobo; Liu, Shuangyue; Du, Dongmei; Xue, Zhimin; Fu, Hui; Sun, Haitao

    2016-03-01

    In order to remove and store radioactive substances effectively, studies on the mechanisms of radioiodine captured by ionic liquids (ILs) with a fixed cation (1-butyl-3-methyl-imidazolium cation [Bmim]+) were carried out in experimental and theoretical methods. Fourier transform infrared attenuated total reflectance (FT-IR ATR) spectra of 2BP8HQ and ultraviolet-visible (UV/vis) spectroscopy were used to investigate the kinetic process of radioiodine removal by ILs in experiment. Corresponding theoretical investigations on the structures and formation mechanisms of ILs, bare anions and complexes as well as hydrogen bonds was carried using density functional theory. The electrostatic potential was used in configuration design and construction. Charge distribution was used to show the variation of atom charge density, Interaction energy and vibration frequency change were performed to explore possible mechanisms on the halogen bond formation between radioiodine molecule and bare anion or anion in ILs when radioiodine captured by ILs. In order to characterize halogen bonds both natural bond orbital analysis and atoms in molecules analysis were performed. Both experimental and computational results showed that radioiodine could be captured by ILs with a 1:1mol stoichiometry. It was noteworthy that [Bmim][Br], [Bmim][I] and [Bmim][Cl], containing high radioiodine capture efficiency anions, were better candidates in removal and reliable storage of radioiodine for their capture efficiencies of over 80% in 5h. PMID:26774640

  8. Thickness-dependent structural arrangement in nano-confined imidazolium-based ionic liquid films

    SciTech Connect

    Rouha, Michael; Cummings, Peter T.

    2014-12-24

    Here we report that a fundamental understanding of interfacial processes in nano-confined ionic liquids is crucial to increase the performance of modern energy storage devices. It is well-known that interfaces between electrodes and ionic liquids exhibit structures distinct from that of the bulk liquid. Following the recent interest in these systems, we studied the structure of thin ionic liquid films confined in flexible uncharged carbon nano-pores by using fully-atomistic molecular dynamics simulations. We show that the interfacial ions self-assemble into a closely-packed chequerboard-like pattern, formed by both cations and anions in direct contact with the pore wall, and that within this structure we find changes dependent on the thickness of the confined films. At low coverages a dense layer is formed in which both the imidazolium-ring and its alkyl-tail lie parallel to the pore wall. With increasing coverage the alkyl-chains reorient perpendicular to the surface, making space for additional ions until a densified highly ordered layer is formed. This wall-induced self-patterning into interfacial layers with significantly higher than bulk density is consistent with recent experimental and theoretical studies of similar systems. Lastly, this work reveals additional molecular-level details on the effect of the film-thickness on the structure and density of the ionic liquid.

  9. A green approach for starch modification: Esterification by lipase and novel imidazolium surfactant.

    PubMed

    Adak, Sunita; Banerjee, Rintu

    2016-10-01

    Starch being one of the most abundant polysaccharides in nature has been subjected to modification to enhance its applicability. Modification by esterification involves acylation of hydroxyl groups of glucose units to form starch esters. Lipases, as catalysts have emerged as a promising alternative to chemical processes. Although ionic liquids and microwave assisted heating are emerging as green technology yet their use along with lipases for starch modification has not been probed. In the present study esterification of corn starch employing Rhizopus oryzae lipase, microwave irradiation and novel imidazolium surfactants has been attempted. At 80% irradiation, 1:3 starch/oleic acid molar ratio, 150 IU enzyme, and 50μmol of [C16-3-C16im]Br2 maximum degree of substitution (DS=2.75) was attained. The modified starch showed better hydrophobicity and thermoplasticity with corresponding structural changes depicted by FTIR, XRD and SEM. These properties advocate the usefulness of the modified starch in food and biopolymer sectors. PMID:27312646

  10. A theoretical and experimental evaluation of imidazolium-based ionic liquids for atmospheric mercury capture.

    PubMed

    Iuga, Cristina; Solís, Corina; Alvarez-Idaboy, J Raúl; Martínez, Miguel Angel; Mondragón, Ma Antonieta; Vivier-Bunge, Annik

    2014-05-01

    In this work, the capacity of three different imidazolium-based ionic liquids (ILs) for atmospheric mercury capture has been evaluated. Theoretical calculations using monomer and dimer models of ILs showed that [BMIM]⁺[SCN]⁻ and [BMIM]⁺[Cl]⁻ ionic liquids capture gaseous Hg⁰, while [BMIM]⁺[PF₆]⁻ shows no ability for this purpose. These findings are supported by experimental data obtained using particle induced X-ray emission (PIXE) trace element analysis. Experimental and theoretical infrared data of the ILs were obtained before and after exposure to Hg. In all cases, no displacement of the bands was observed, indicating that the interaction does not significantly affect the force constants of substrate bonds. This suggests that van der Waals forces are the main forces responsible for mercury capture. Since the anion-absorbate is the driving force of the interaction, the largest charge-volume ratio of [Cl]⁻ could explain the higher affinity for mercury sequestration of the [BMIM]⁺[Cl]⁻ salt. PMID:24781855

  11. Thickness-dependent structural arrangement in nano-confined imidazolium-based ionic liquid films

    DOE PAGESBeta

    Rouha, Michael; Cummings, Peter T.

    2014-12-24

    Here we report that a fundamental understanding of interfacial processes in nano-confined ionic liquids is crucial to increase the performance of modern energy storage devices. It is well-known that interfaces between electrodes and ionic liquids exhibit structures distinct from that of the bulk liquid. Following the recent interest in these systems, we studied the structure of thin ionic liquid films confined in flexible uncharged carbon nano-pores by using fully-atomistic molecular dynamics simulations. We show that the interfacial ions self-assemble into a closely-packed chequerboard-like pattern, formed by both cations and anions in direct contact with the pore wall, and that withinmore » this structure we find changes dependent on the thickness of the confined films. At low coverages a dense layer is formed in which both the imidazolium-ring and its alkyl-tail lie parallel to the pore wall. With increasing coverage the alkyl-chains reorient perpendicular to the surface, making space for additional ions until a densified highly ordered layer is formed. This wall-induced self-patterning into interfacial layers with significantly higher than bulk density is consistent with recent experimental and theoretical studies of similar systems. Lastly, this work reveals additional molecular-level details on the effect of the film-thickness on the structure and density of the ionic liquid.« less

  12. Thermodynamical and structural properties of imidazolium based ionic liquids from molecular simulation

    NASA Astrophysics Data System (ADS)

    Raabe, Gabriele; Köhler, Jürgen

    2008-04-01

    We have performed molecular dynamics simulations to determine the densities and heat of vaporization as well as structural information for the 1-alkyl-3-methyl-imidazolium based ionic liquids [amim][Cl] and [amim][BF4] in the temperature range from 298to363K. In this simulation study, we used an united atom model of Liu et al. [Phys. Chem. Chem. Phys. 8, 1096 (2006)] for the [emim+] and [bmim+] cations, which we have extended for simulation in [hmim]-ILs and combined with parameters of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] for the [Cl-] anion. Our simulation results prove that both the original united atoms approach by Liu et al. and our extension yield reasonable predictions for the ionic liquid with a considerably reduced computational expense than that required for all atoms models. Radial distribution functions and spatial distribution functions where employed to analyze the local structure of this ionic liquid, and in which way it is influenced by the type of the anion, the size of the cation, and the temperature. Our simulations give evidence for the occurrence of tail aggregations in these ionic liquids with increasing length of the side chain and also increasing temperature.

  13. Properties of columns with several pyridinium and imidazolium ionic liquid stationary phases.

    PubMed

    Shashkov, M V; Sidelnikov, V N

    2013-09-27

    Recent advances in the development of new liquid phases (ILs) made it possible to use some classes of ILs as polar stationary liquid phases (SLP). In our days only alkylimidazolium- and alkylphosphonium-based ILs are widely used as polar SLP. In present work some other types of ILs - pyridinium and cyanopropyl/hydroxypropyl imidazolium were investigated as SLP. Columns with efficiencies 2000-2500 plates/m by high-pressure static method were prepared. Polarity and selectivity of these phases were measured. Selectivity was described in terms of intermolecular interactions by using Abraham solvatation parameter model. The set of the regularities between cation structure of ionic liquid and selectivity has been shown. The number and position of methyl groups in ionic liquid pyridinium ring were shown to have the sufficient influence on all type of molecular interactions. Finally the resolutions of test mixture for the several ionic liquid SLP were obtained. For columns with some ionic liquids the dependencies of the height equivalent to a theoretical plate (HETP) and sample loading capacity were obtained and compared with the conventional phases. It was found that the optimal efficiency for the IL columns is attained at lower carrier gas velocities in comparison with traditional phases. Nevetheless sample loading capacity of IL phases is comparable to those of conventional GC phases. PMID:23958690

  14. Two-stage prediction of the effects of imidazolium and pyridinium ionic liquid mixtures on luciferase.

    PubMed

    Ge, Hui-Lin; Liu, Shu-Shen; Su, Bing-Xia; Zhu, Xiang-Wei

    2014-01-01

    The predicted toxicity of mixtures of imidazolium and pyridinium ionic liquids (ILs) in the ratios of their EC50, EC10, and NOEC (no observed effect concentration) were compared to the observed toxicity of these mixtures on luciferase. The toxicities of EC50 ratio mixture can be effectively predicted by two-stage prediction (TSP) method, but were overestimated by the concentration addition (CA) model and underestimated by the independent action (IA) model. The toxicities of EC10 ratio mixtures can be basically predicted by TSP and CA, but were underestimated by IA. The toxicities of NOEC ratio mixtures can be predicted by TSP and CA in a certain concentration range, but were underestimated by IA. Our results support the use of TSP as a default approach for predicting the combined effect of different types of ILs at the molecular level. In addition, mixtures of ILs mixed at NOEC and EC10 could cause significant effects of 64.1% and 97.7%, respectively. Therefore, we should pay high attention to the combined effects in mixture risk assessment. PMID:24858273

  15. DFT study of the energetic and noncovalent interactions between imidazolium ionic liquids and hydrofluoric acid.

    PubMed

    Velarde, Marco V; Gallo, Marco; Alonso, P A; Miranda, A D; Dominguez, J M

    2015-04-16

    In this work, we evaluated the energetic interactions between imidazolium ionic liquids (ILs) and hydrofluoric acid, as well as the cation-anion interactions in ILs. We used DFT calculations that include dispersion corrections employing the PBE and M06 functionals. We tested 22 ILs, including [C4MIM][PF6], [C4MIM][NTf2], and [C4MIM][CH3COO], obtaining interaction energies in the range of -27 to -13 kcal/mol with the PBE functional. The NCI (noncovalent interaction) index developed by Yang and collaborators ( J. Am. Chem. Soc. 2010 , 132 , 6498 - 6506 ; J. Chem. Theory Comput. 2011 , 7 , 625 - 632 ) also was used for mapping the key noncovalent interactions (hydrogen bonds, van der Waals, and steric repulsions) between the anions and cations of ILs and also for interactions of ILs with hydrofluoric acid (HF). The results obtained show that the anions have a stronger effect with respect to cations in their capacity for interacting with hydrofluoric acid, and the strongest interaction energies occur in systems where the key noncovalent interactions are mainly hydrogen bonds. The [C4MIM][PF6], [C4MIM][NTf2], and [C4MIM][BF4] ionic liquids displayed the weakest cation-anion interactions. PMID:25803741

  16. Physicochemical Properties of Imidazolium-derived Ionic Liquids with Different C-2 Substitutions

    SciTech Connect

    Liao, Chen; Shao, Nan; Han, Kee Sung; Sun, Xiao-Guang; Jiang, Deen; Hagaman, Edward {Ed} W; Dai, Sheng

    2011-01-01

    Five room temperature ionic liquids based on C-2 substituted imidazolium cations and bis(trifluoromethanesulfonyl)imide (TFSI) anion were synthesized and their physicochemical properties: thermal property, density, viscosity, ionic conductivity, self-diffusion coefficients, and electrochemical stability were systematically investigated. The temperature dependence of both viscosity and ionic conductivities of these ionic liquids can be described by Vogel-Fulcher-Tamman (VFT) equation. Compared with the reference, 1-propyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide, the introduction of functional groups at the C-2 position generally increased the viscosity and lowered the ionic conductivity. The introduction of ether group ( CH2OCH2CH2CH2CH3) at the C-2 position not only enhanced the reduction stability of the ionic liquids but also exhibited the lowest solid electrolyte interfacial resistance (RSEI). On the contrary, the introduction of a cyano group ( CN) at the C-2 position not only decreased the reduction stability but also adversely increased the SEI resistance. The effect of the C-2 substitution on the reduction stability was explained by the change of the energy level of the lowest unoccupied molecular orbital. The self-diffusion coefficients (D) of each ion were measured by pulsed field gradient nuclear magnetic resonance (PFG-NMR). The lithium transference number (tLi) of 0.5 M LiTFSI/IL solutions calculated from the self-diffusion coefficients was in the range of 0.04 and 0.09.

  17. Cation and anion transport in a dicationic imidazolium-based plastic crystal ion conductor.

    PubMed

    Kidd, Bryce E; Lingwood, Mark D; Lee, Minjae; Gibson, Harry W; Madsen, Louis A

    2014-02-27

    Here we investigate the organic ionic plastic crystal 1,2-bis[N-(N'-hexylimidazolium-d2(4,5))]ethane 2PF6(-) in one of its solid plastic crystal phases by means of multinuclear solid-state (SS) NMR and pulsed-field-gradient NMR diffusometry. We quantify distinct cation and anion diffusion coefficients as well as the Arrhenius diffusion activation energies (Ea) in this dicationic imidazolium-based plastic crystal. Our studies suggest a change in transport mechanism for the cation upon varying thermal and magnetic treatment (9.4 T), evidenced by differences in cation and anion Ea. Moreover, variable temperature (2)H SSNMR line shapes support a change in local molecular environment upon slow cooling in B0. We quantify the percentage of mobile anions as a function of temperature with (19)F SSNMR, wherein two distinct spectral features are present. We also comment on the Arrhenius pre-exponential factor for diffusion (D0), giving insight into the number of degrees of freedom for transport for both cation and anion as a function of thermal treatment. Given the breadth and depth of our measurements, we propose that bulk ion transport is dominated by anion diffusion in ionic-liquid-like domain boundaries separating crystallites. This study elucidates fundamental properties of this plastic crystal, and allows for a more general and deeper understanding of ion transport within such materials. PMID:24495282

  18. Imidazolium ionic liquids as solvents of pharmaceuticals: influence on HSA binding and partition coefficient of nimesulide.

    PubMed

    Azevedo, Ana M O; Ribeiro, Diogo M G; Pinto, Paula C A G; Lúcio, Marlene; Reis, Salette; Saraiva, M Lúcia M F S

    2013-02-25

    In this work, the influence of imidazolium ionic liquids (ILs) on bio-chemical parameters that influence the in vivo behavior of nimesulide was evaluated. In this context, the binding of nimesulide to human serum albumin (HSA), in IL media, was studied. In parallel, the evaluation of the interaction of drug-IL systems, with micelles of hexadecylphosphocholine (HDPC), enabled the calculation of partition coefficients (K(p)). Both assays were performed in buffered media in the absence and in the presence of emim [BF(4)], emim [Ms] and emim [TfMs] 1%. Even though there was an increase of the dissociation constant (K(d)) in IL media, nimesulide still binds to HSA by means of strong interactions. The thermodynamic analysis indicates that the interaction is spontaneous for all the tested systems. Moreover, the studied systems exhibited properties that are favorable to the interaction of the drug with biological membranes, with K(p) values 2.5-3.5 higher than in aqueous environment. The studied nimesulide-IL systems presented promising characteristics regarding the absorption and distribution of the drug in vivo, so that the studied solvents seem to be good options for drug delivery. PMID:23287776

  19. Reactor-chromatographic determination of vinyl chloride in polyvinyl chloride

    SciTech Connect

    Berezkin, V.G.

    1986-08-01

    The authors carry out a chromatographic study of the volatile products that evolve when various grades of domestic polyvinyl chloride are heated, to determine the concentration of residual monomer. To find vinyl chloride in complex mixtures of air pollutants the authors used sorptive reaction concentration of impurities. This new combination of methods is based on preliminary separation at the sampling stage of impurities that interfere in the analysis, followed by concentration of the desired components in a trap with an adsorbent, and chromatographic determination of the concentrated trace materials. The method obtains low vinyl chloride concentrations (down to 10/sup -4/-10/sup -5/ wt. %) with +/-5 relative error.

  20. 2-(4-Hy-droxy-phen-yl)-1H-benzimidazol-3-ium chloride monohydrate.

    PubMed

    González-Padilla, Jazmin E; Rosales-Hernández, Martha Cecila; Padilla-Martínez, Itzia I; García-Báez, Efren V; Rojas-Lima, Susana

    2013-01-01

    The title mol-ecular salt, C13H11N2O(+)·Cl(-)·H2O, crystallizes as a monohydrate. In the cation, the phenol and benzimidazole rings are almost coplanar, making a dihedral angle of 3.18 (4)°. The chloride anion and benzimidazole cation are linked by two N(+)-H⋯Cl(-) hydrogen bonds, forming chains propagating along [010]. These chains are linked through O-H⋯Cl hydrogen bonds involving the water mol-ecule and the chloride anion, which form a diamond core, giving rise to the formation of two-dimensional networks lying parallel to (10-2). Two π-π inter-actions involving the imidazolium ring with the benzene and phenol rings [centroid-centroid distances = 3.859 (3) and 3.602 (3) Å, respectively], contribute to this second dimension. A strong O-H⋯O hydrogen bond involving the water mol-ecule and the phenol substituent on the benzimidazole unit links the networks, forming a three-dimensional structure. PMID:24427105

  1. Modified normal-phase ion-pair chromatographic methods for the facile separation and purification of imidazolium-based ionic compounds

    SciTech Connect

    Urban, ND; Schenkel, MR; Robertson, LA; Noble, RD; Gin, DL

    2012-07-04

    lmidazolium- and oligo(imidazolium)-based ionic organic compounds are important in the design of room-temperature ionic liquid materials; however, the chromatographic analysis and separation of such compounds are often difficult. A convenient and inexpensive method for effective thin-layer chromatography (TLC) analysis and column chromatography separation of imidazolium-based ionic compounds is presented. Normal-phase ion-pair TLC is used to effectively analyze homologous mixtures of these ionic compounds. Subsequent separation of the mixtures is performed using ion-pair flash chromatography on normal-phase silica gel, yielding high levels of recovery. This method also results in a complete exchange of the counter anion on the imidazolium compounds to the anion of the ion-pair reagent. (C) 2012 Elsevier Ltd. All rights reserved.

  2. Studies Update Vinyl Chloride Hazards.

    ERIC Educational Resources Information Center

    Rawls, Rebecca

    1980-01-01

    Extensive study affirms that vinyl chloride is a potent animal carcinogen. Epidemiological studies show elevated rates of human cancers in association with extended contact with the compound. (Author/RE)

  3. Chloride channels in stroke

    PubMed Central

    Zhang, Ya-ping; Zhang, Hao; Duan, Dayue Darrel

    2013-01-01

    Vascular remodeling of cerebral arterioles, including proliferation, migration, and apoptosis of vascular smooth muscle cells (VSMCs), is the major cause of changes in the cross-sectional area and diameter of the arteries and sudden interruption of blood flow or hemorrhage in the brain, ie, stroke. Accumulating evidence strongly supports an important role for chloride (Cl−) channels in vascular remodeling and stroke. At least three Cl− channel genes are expressed in VSMCs: 1) the TMEM16A (or Ano1), which may encode the calcium-activated Cl− channels (CACCs); 2) the CLC-3 Cl− channel and Cl−/H+ antiporter, which is closely related to the volume-regulated Cl− channels (VRCCs); and 3) the cystic fibrosis transmembrane conductance regulator (CFTR), which encodes the PKA- and PKC-activated Cl− channels. Activation of the CACCs by agonist-induced increase in intracellular Ca2+ causes membrane depolarization, vasoconstriction, and inhibition of VSMC proliferation. Activation of VRCCs by cell volume increase or membrane stretch promotes the production of reactive oxygen species, induces proliferation and inhibits apoptosis of VSMCs. Activation of CFTR inhibits oxidative stress and may prevent the development of hypertension. In addition, Cl− current mediated by gamma-aminobutyric acid (GABA) receptor has also been implicated a role in ischemic neuron death. This review focuses on the functional roles of Cl− channels in the development of stroke and provides a perspective on the future directions for research and the potential to develop Cl− channels as new targets for the prevention and treatment of stroke. PMID:23103617

  4. Effect of the Methylation and N-H Acidic Group on the Physicochemical Properties of Imidazolium-Based Ionic Liquids.

    PubMed

    Rodrigues, Ana S M C; Rocha, Marisa A A; Almeida, Hugo F D; Neves, Catarina M S S; Lopes-da-Silva, José A; Freire, Mara G; Coutinho, João A P; Santos, Luís M N B F

    2015-07-16

    This work presents and highlights the differentiation of the physicochemical properties of the [C1Him][NTf2], [C2Him][NTf2], [(1)C1(2)C1Him][NTf2], and [(1)C4(2)C1(3)C1im][NTf2] that is related with the strong bulk interaction potential, which highlights the differentiation on the physicochemical arising from the presence of the acidic group (N-H) as well as the methylation in position 2, C(2), of the imidazolium ring. Densities, viscosities, refractive indices, and surface tensions in a wide range of temperatures, as well as isobaric heat capacities at 298.15 K, for this IL series are presented and discussed. It was found that the volumetric properties are barely affected by the geometric and structural isomerization, following a quite regular trend. A linear correlation between the glass transition temperature, Tg, and the alkyl chain size was found; however, ILs with the acidic N-H group present a significant higher Tg than the [(1)CN-1(3)C1im][NTf2] and [(1)CN(3)CNim][NTf2] series. It was found that the most viscous ILs, ([(1)C1Him][NTf2], [(1)C2Him][NTf2], and [(1)C1(2)C1Him][NTf2]) have an acidic N-H group in the imidazolium ring in agreement with the observed increase of energy barrier of flow. The methylation in position 2, C(2), as well as the N-H acidic group in the imidazolium ring contribute to a significant variation in the cation-anion interactions and their dynamics, which is reflected in their charge distribution and polarizability leading to a significant differentiation of the refractive indices, surface tension, and heat capacities. The observed differentiation of the physicochemical properties of the [(1)C1Him][NTf2], [(1)C2Him][NTf2], [(1)C1(2)C1Him][NTf2], and [(1)C4(2)C1(3)C1im][NTf2] are an indication of the stronger bulk interaction potential, which highlights the effect that arises from the presence of the acidic group (N-H) as well as the methylation in position 2 of the imidazolium ring. PMID:26082427

  5. Four imidazolium iodocuprates based on anion-π and π-π interactions: Structural and spectral modulation

    NASA Astrophysics Data System (ADS)

    Liu, Fang; Hao, Pengfei; Yu, Tanlai; Guan, Qi; Fu, Yunlong

    2016-09-01

    Four imidazolium iodocuprates, [(1,3-dimethylimidazole)(Cu2I3)]n (1), [(1,2,3-trimethylimidazole)(Cu2I3)]n (2), [(1,3-dimethylimidazole)(Cu3I5)]n (3) and [(1,3-dimethylbenzimidazole)(CuI2)]n (4) have been solvothermally synthesized and optically characterized. Results exhibit that cationic spatial orientation, anion-π and π-π interactions are beneficial to structural diversity and band gap modulation of iodocuprate hybrids. The UV-vis diffuse reflectance spectra show that compounds 1-4 are potential semiconductor materials.

  6. Design of Phosphonated Imidazolium-Based Ionic Liquids Grafted on γ-Alumina: Potential Model for Hybrid Membranes.

    PubMed

    Pizzoccaro, Marie-Alix; Drobek, Martin; Petit, Eddy; Guerrero, Gilles; Hesemann, Peter; Julbe, Anne

    2016-01-01

    Imidazolium bromide-based ionic liquids bearing phosphonyl groups on the cationic part were synthesized and grafted on γ-alumina (γ-Al₂O₃) powders. These powders were prepared as companion samples of conventional mesoporous γ-alumina membranes, in order to favor a possible transfer of the results to supported membrane materials, which could be used for CO₂ separation applications. Effective grafting was demonstrated using energy dispersive X-ray spectrometry (EDX), N₂ adsorption measurements, fourier transform infrared spectroscopy (FTIR), and special attention was paid to (31)P and (13)C solid state nuclear magnetic resonance spectroscopy (NMR). PMID:27472321

  7. Design of Phosphonated Imidazolium-Based Ionic Liquids Grafted on γ-Alumina: Potential Model for Hybrid Membranes

    PubMed Central

    Pizzoccaro, Marie-Alix; Drobek, Martin; Petit, Eddy; Guerrero, Gilles; Hesemann, Peter; Julbe, Anne

    2016-01-01

    Imidazolium bromide-based ionic liquids bearing phosphonyl groups on the cationic part were synthesized and grafted on γ-alumina (γ-Al2O3) powders. These powders were prepared as companion samples of conventional mesoporous γ-alumina membranes, in order to favor a possible transfer of the results to supported membrane materials, which could be used for CO2 separation applications. Effective grafting was demonstrated using energy dispersive X-ray spectrometry (EDX), N2 adsorption measurements, fourier transform infrared spectroscopy (FTIR), and special attention was paid to 31P and 13C solid state nuclear magnetic resonance spectroscopy (NMR). PMID:27472321

  8. Structural characterization and DFT study of V(IV)O(acac)2 in imidazolium ionic liquids.

    PubMed

    Mota, Andreia; Hallett, Jason P; Kuznetsov, Maxim L; Correia, Isabel

    2011-09-01

    We report the structural characterization of vanadyl acetylacetonate in imidazolium room temperature ionic liquids--bbimNTf(2), bmimNTf(2), C(3)OmimNTf(2), bm(2)imNTf(2), bmimPF(6), bmimOTf, bmimBF(4), bmimMeCO(2), bmimMeSO(4), bmimMe(2)PO(4) and bmimN(CN)(2)--and organic solvents. The complex was characterized by visible electronic (Vis) and EPR spectroscopies. VO(acac)(2) shows solvatochromism in the selected ionic liquids and behaves as in organic solvents, evidencing coordination of the ionic liquid anion in the solvents with higher coordinating ability. The Lewis basicity order obtained for the IL anions was: PF(6)(-) < NTf(2)(-) < OTf(-)≈ MeCO(2)(-) < MeSO(4)(-) < BF(4)(-)≈ N(CN)(2)(-) < Me(2)PO(4)(-). The solvent effect on the spectroscopic data was tentatively examined using linear solvation energy relationships based on the Kamlet-Taft solvent scale (α, β and π*), however no suitable correlation was found with all data. The EPR characterization showed the presence of two isomers in bmimOTf, bmimMeCO(2) and bmimMe(2)PO(4), suggesting coordination of the ionic liquid anions in both equatorial and axial positions. The full geometry optimization of cis-/trans-VO(acac)(2)(OTf)(-) and cis-/trans-VO(acac)(2)(OTf)(mmim) structures was done at the B3P86/6-31G* level of theory. The calculations confirm that the anion OTf(-) is able to coordinate to VO(acac)(2) with the trans isomer being more stable than the cis by 4.8 kcal mol(-1). PMID:21789301

  9. Regeneration of zinc chloride hydrocracking catalyst

    DOEpatents

    Zielke, Clyde W.

    1979-01-01

    Improved rate of recovery of zinc values from the solids which are carried over by the effluent vapors from the oxidative vapor phase regeneration of spent zinc chloride catalyst is achieved by treatment of the solids with both hydrogen chloride and calcium chloride to selectively and rapidly recover the zinc values as zinc chloride.

  10. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... GRAS § 184.1138 Ammonium chloride. (a) Ammonium chloride (NH4Cl, CAS Reg. No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  11. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Potassium chloride. 184.1622 Section 184.1622 Food... Specific Substances Affirmed as GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg... levels not to exceed current good manufacturing practice. Potassium chloride may be used in...

  12. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Potassium chloride. 184.1622 Section 184.1622 Food... Specific Substances Affirmed as GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg... levels not to exceed current good manufacturing practice. Potassium chloride may be used in...

  13. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Potassium chloride. 184.1622 Section 184.1622 Food... Specific Substances Affirmed as GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg... levels not to exceed current good manufacturing practice. Potassium chloride may be used in...

  14. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Potassium chloride. 184.1622 Section 184.1622 Food... GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg. No. 7447-40-7) is a white... manufacturing practice. Potassium chloride may be used in infant formula in accordance with section 412(g)...

  15. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Potassium chloride. 184.1622 Section 184.1622 Food... Specific Substances Affirmed as GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg... levels not to exceed current good manufacturing practice. Potassium chloride may be used in...

  16. CHLORIDE WASHER PERFORMACE TESTING

    SciTech Connect

    Coughlin, J; David Best, D; Robert Pierce, R

    2007-11-30

    Testing was performed to determine the chloride (Cl-) removal capabilities of the Savannah River National Laboratory (SRNL) designed and built Cl- washing equipment intended for HB-Line installation. The equipment to be deployed was tested using a cerium oxide (CeO2) based simulant in place of the 3013 plutonium oxide (PuO2) material. Two different simulant mixtures were included in this testing -- one having higher Cl- content than the other. The higher Cl- simulant was based on K-Area Interim Surveillance Inspection Program (KIS) material with Cl- content approximately equal to 70,000 ppm. The lower Cl- level simulant was comparable to KIS material containing approximately 8,000-ppm Cl- content. The performance testing results indicate that the washer is capable of reducing the Cl- content of both surrogates to below 200 ppm with three 1/2-liter washes of 0.1M sodium hydroxide (NaOH) solution. Larger wash volumes were used with similar results - all of the prescribed test parameters consistently reduced the Cl- content of the surrogate to a value below 200 ppm Cl- in the final washed surrogate material. The washer uses a 20-micron filter to retain the surrogate solids. Tests showed that 0.16-0.41% of the insoluble fraction of the starting mass passed through the 20-micron filter. The solids retention performance indicates that the fissile masses passing through the 20-micron filter should not exceed the waste acceptance criteria for discard in grout to TRU waste. It is recommended that additional testing be pursued for further verification and optimization purposes. It is likely that wash volumes smaller than those tested could still reduce the Cl- values to acceptable levels. Along with reduced wash volumes, reuse of the third wash volume (in the next run processed) should be tested as a wash solution minimization plan. A 67% reduction in the number of grouted paint pails could be realized if wash solution minimization testing returned acceptable results.

  17. Blocking the entrance of AMP pocket results in hormetic stimulation of imidazolium-based ionic liquids to firefly luciferase.

    PubMed

    Chen, Fu; Liu, Shu-Shen; Yu, Mo; Qu, Rui; Wang, Meng-Chao

    2015-08-01

    The hormesis characterized by low-concentration stimulation and high-concentration inhibition has gained significant interest over the past decades. Some organic solvents and ionic liquids (ILs) have hormetic concentration responses (HCR) to bioluminescence such as firefly luciferase and Vibrio qinghaiensis sp.-Q67. In this study, we determine the effects of 1-alkyl-3-methylimidazolium chlorine ILs ([Cnmim]Cl, n=2, 4, 6, 8, 10 and 12) to firefly luciferase in order to verify the mechanism of hormesis. The luminescence inhibition toxicity tests show that the stimulation effects of [C8mim]Cl and [C10mim]Cl are obvious, [C6mim]Cl and [C12mim]Cl are minor, and [C2mim]Cl and [C4mim]Cl are rare. The enzyme kinetics show that [C8mim]Cl and [C10mim]Cl are the competitive inhibitors with ATP while [C2mim]Cl and [C4mim]Cl are the noncompetitive ones. Molecular dynamics simulation results reveal that imidazolium rings of [C8mim] and [C10mim] locate at the entrance of luciferin pocket which is adjacent to AMP pocket, while alkyl-chains insert into the bottom of the luciferin pocket. Combining the results from inhibition test, kinetics assay and molecular simulation, we can deduce that occupying AMP pocket by imidazolium ring is responsible for hormetic stimulation. PMID:25835270

  18. Effect of imidazolium-based ionic liquids on bacterial growth inhibition investigated via experimental and QSAR modelling studies.

    PubMed

    Ghanem, Ouahid Ben; Mutalib, M I Abdul; El-Harbawi, Mohanad; Gonfa, Girma; Kait, Chong Fai; Alitheen, Noorjahan Banu Mohamed; Leveque, Jean-Marc

    2015-10-30

    Tuning the characteristics of solvents to fit industrial requirements has currently become a major interest in both academic and industrial communities, notably in the field of room temperature ionic liquids (RTILs), which are considered one of the most promising green alternatives to molecular organic solvents. In this work, several sets of imidazolium-based ionic liquids were synthesized, and their toxicities were assessed towards four human pathogens bacteria to investigate how tunability can affect this characteristic. Additionally, the toxicity of particular RTILs bearing an amino acid anion was introduced in this work. EC50 values (50% effective concentration) were established, and significant variations were observed; although all studied ILs displayed an imidazolium moiety, the toxicity values were found to vary between 0.05 mM for the most toxic to 85.57 mM for the least toxic. Linear quantitative structure activity relationship models were then developed using the charge density distribution (σ-profiles) as molecular descriptors, which can yield accuracies as high as 95%. PMID:25965417

  19. Influence of ester functional groups on the liquid-phase structure and solvation properties of imidazolium-based ionic liquids.

    PubMed

    Pensado, Alfonso S; Pádua, Agílio A H; Costa Gomes, Margarida F

    2011-04-14

    The incorporation of ester functions in the side chains in 1-alkyl-3-methylimidazolium cations seems to increase the biodegradability of these ionic liquids. We study here how the presence of ester functional groups affects the liquid-state structure (namely, the microphase segregation between polar and nonpolar domains in these ionic liquids) and the way in which the solvation of gases can be understood in these solvents. We use molecular simulation to study the structure of the ionic liquids 3-methyl-1-(pentoxycarbonylmethyl)imidazolium octylsulfate, [C(1)COOC(5)C(1)im][C(8)SO(4)]; and 3-methyl-1-(pentoxycarbonylmethyl)imidazolium bis(trifluoromethylsulfonyl)imide, [C(1)COOC(5)C(1)im][NTf(2)] in the liquid phase and to assess the molecular mechanisms of solvation of carbon dioxide and ethane. The presence of ester functions influences the relative size of the polar and nonpolar domains in the ionic liquids, but does not significantly affect the solvation of gases. PMID:21391547

  20. Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation.

    PubMed

    Zubeir, Lawien F; Rocha, Marisa A A; Vergadou, Niki; Weggemans, Wilko M A; Peristeras, Loukas D; Schulz, Peter S; Economou, Ioannis G; Kroon, Maaike C

    2016-08-17

    The low-viscous tricyanomethanide ([TCM](-))-based ionic liquids (ILs) are gaining increasing interest as attractive fluids for a variety of industrial applications. The thermophysical properties (density, viscosity, surface tension, electrical conductivity and self-diffusion coefficient) of the 1-alkyl-3-methylimidazolium tricyanomethanide [Cnmim][TCM] (n = 2, 4 and 6-8) IL series were experimentally measured over the temperature range from 288 to 363 K. Moreover, a classical force field optimized for the imidazolium-based [TCM](-) ILs was used to calculate their thermodynamic, structural and transport properties (density, surface tension, self-diffusion coefficients, viscosity) in the temperature range from 300 to 366 K. The predictions were directly compared against the experimental measurements. The effects of anion and alkyl chain length on the structure and thermophysical properties have been evaluated. In cyano-based ILs, the density decreases with increasing molar mass, in contrast to the behavior of the fluorinated anions, being in agreement with the literature. The contribution per -CH2- group to the increase of the viscosity presents the following sequence: [PF6](-) > [BF4](-) > [Tf2N](-) > [DCA](-) > [TCB](-) > [TCM](-). [TCM](-)-based ILs show lower viscosity than dicyanamide ([DCA](-))- and tetracyanoborate ([TCB](-))-based ILs, while the latter two exhibit a crossover which depends both on temperature and the alkyl chain length of the cation. The surface tension of the investigated ILs decreases with increasing alkyl chain length. [C2mim][TCM] shows an outlier behavior compared to other members of the homologous series. The surface enthalpies and surface entropies for all the studied systems have been calculated based on the experimentally determined surface tensions. The relationship between molar conductivity and viscosity was analyzed using the Walden rule. The experimentally determined self-diffusion coefficients of the cations are in good

  1. Molecular dynamics simulation of imidazolium-based ionic liquids. I. Dynamics and diffusion coefficient.

    PubMed

    Kowsari, M H; Alavi, Saman; Ashrafizaadeh, Mahmud; Najafi, Bijan

    2008-12-14

    Molecular dynamics simulations are used to study the dynamics and transport properties of 12 room-temperature ionic liquids of the 1-alkyl-3-methylimidazolium [amim](+) (alkyl = methyl, ethyl, propyl, and butyl) family with PF(6)(-), NO(3)(-), and Cl(-) counterions. The explicit atom transferable force field of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] is used in the simulations. In this first part, the dynamics of the ionic liquids are characterized by studying the mean-square displacement (MSD) and the velocity autocorrelation function (VACF) for the centers of mass of the ions at 400 K. Trajectory averaging was employed to evaluate the diffusion coefficients at two temperatures from the linear slope of MSD(t) functions in the range of 150-300 ps and from the integration of the VACF(t) functions at 400 K. Detailed comparisons are made between the diffusion results from the MSD and VACF methods. The diffusion coefficients from the integration of the VACFs are closer to experimental values than the diffusion coefficients calculated from the slope of MSDs. Both methods can show good agreement with experiment in predicting relative trends in the diffusion coefficients and determining the role of the cation and anion structures on the dynamical behavior of this family of ionic liquids. The MSD and self-diffusion of relatively heavier imidazolium cations are larger than those of the lighter anions from the Einstein results, except for the case of [bmim][Cl]. The cationic transference number generally decreases with temperature, in good agreement with experiments. For the same anion, the cationic transference numbers decrease with increasing length of the alkyl chain, and for the same cation, the trends in the cationic transference numbers are [NO(3)](-) < [Cl](-) < [PF(6)](-). The trends in the diffusion coefficient in the series of cations with identical anions are [emim](+) > [pmim](+) > [bmim](+) and those for anions with identical cations are [NO(3

  2. Chloride in vesicular trafficking and function.

    PubMed

    Stauber, Tobias; Jentsch, Thomas J

    2013-01-01

    Luminal acidification is of pivotal importance for the physiology of the secretory and endocytic pathways and its diverse trafficking events. Acidification by the proton-pumping V-ATPase requires charge compensation by counterion currents that are commonly attributed to chloride. The molecular identification of intracellular chloride transporters and the improvement of methodologies for measuring intraorganellar pH and chloride have facilitated the investigation of the physiology of vesicular chloride transport. New data question the requirement of chloride for pH regulation of various organelles and furthermore ascribe functions to chloride that are beyond merely electrically shunting the proton pump. This review surveys the currently established and proposed intracellular chloride transporters and gives an overview of membrane-trafficking steps that are affected by the perturbation of chloride transport. Finally, potential mechanisms of membrane-trafficking modulation by chloride are discussed and put into the context of organellar ion homeostasis in general. PMID:23092411

  3. Stability of succinylcholine chloride injection.

    PubMed

    Schmutz, C W; Mühlebach, S F

    1991-03-01

    The stability of succinylcholine chloride injection prepared by a hospital pharmacy was studied under a wide variety of conditions. Batches of succinylcholine chloride injection 10 mg/mL containing sodium chloride, methyl-4-hydroxybenzoate, hydrochloric acid, and water were prepared. Samples were tested for the effect of initial pH (3.0 and 4.2) and sterilization (steam treatment at 100 degrees C for 30 minutes and 121 degrees C for 20 minutes) on stability after three weeks; long-term stability under refrigeration (12, 17, and 23 months of storage at 4 degrees C); and the effect of storage temperature (4-6 degrees C, 20-26 degrees C, 35 degrees C, and 70 degrees C) and light exposure at various intervals up to 12 months. Samples were analyzed by thin-layer chromatography (TLC) and high-performance liquid chromatography (HPLC). Unlike heating at 121 degrees C, heating at 100 degrees C produced no significant loss of succinylcholine chloride, independent of the initial pH. Succinylcholine chloride was hydrolyzed only minimally over 23 months if the solution was stored at 4-6 degrees C. A 10% loss of drug content occurred if solutions were kept at 20-26 degrees C for five months, at 35 degrees C for one month, or at 70 degrees C for one day. Initial degradation was slowed if the solution was protected from light. The assessments by TLC proved to be more sensitive than the HPLC measurements. Succinylcholine chloride injection sterilized at 100 degrees C for 30 minutes can be stored for up to five months at room temperature if protected from light. The preparation is stable for at least two years under refrigeration. PMID:2028996

  4. CHEMILUMINESCENT MONITOR FOR VINYL CHLORIDE

    EPA Science Inventory

    A monitor for vinyl chloride monomer (VCM) in ambient air was constructed using commercially available components of a gas chromatograph (GC) coupled with a chemiluminescence ozone analyzer slightly modified to make it suitable for use as a GC detector. The specificity for VCM is...

  5. Laser using lead chloride vapor

    NASA Technical Reports Server (NTRS)

    Chen, C. J.

    1975-01-01

    By applying electric discharge, lead chloride vapor in tube is dissociated into lead and chlorine atoms. Population inversion of lead atoms is attained subsequently by second discharge, before chemical recombination of lead and chlorine has occurred. Optimum time interval between two discharges is required for maximum laser output.

  6. Method for the abatement of hydrogen chloride

    DOEpatents

    Winston, S.J.; Thomas, T.R.

    1975-11-14

    A method is described for reducing the amount of hydrogen chloride contained in a gas stream by reacting the hydrogen chloride with ammonia in the gas phase so as to produce ammonium chloride. The combined gas stream is passed into a condensation and collection vessel, and a cyclonic flow is created in the combined gas stream as it passes through the vessel. The temperature of the gas stream is reduced in the vessel to below the condensation temperature of ammonium chloride in order to crystallize the ammonium chloride on the walls of the vessel. The cyclonic flow creates a turbulence which breaks off the larger particles of ammonium chloride which are, in turn, driven to the bottom of the vessel where the solid ammonium chloride can be removed from the vessel. The gas stream exiting from the condensation and collection vessel is further cleaned and additional ammonium chloride is removed by passing through additional filters.

  7. Method for the abatement of hydrogen chloride

    DOEpatents

    Winston, Steven J.; Thomas, Thomas R.

    1977-01-01

    The present invention provides a method for reducing the amount of hydrogen chloride contained in a gas stream by reacting the hydrogen chloride with ammonia in the gas phase so as to produce ammonium chloride. The combined gas stream is passed into a condensation and collection vessel and a cyclonic flow is created in the combined gas stream as it passes through the vessel. The temperature of the gas stream is reduced in the vessel to below the condensation temperature of ammonium chloride in order to crystallize the ammonium chloride on the walls of the vessel. The cyclonic flow creates a turbulence which breaks off the larger particles of ammonium chloride which are, in turn, driven to the bottom of the vessel where the solid ammonium chloride can be removed from the vessel. The gas stream exiting from the condensation and collection vessel is further cleaned and additional ammonium chloride is removed by passing through additional filters.

  8. 21 CFR 582.5446 - Manganese chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients and/or Dietary Supplements 1 § 582.5446 Manganese chloride. (a) Product. Manganese chloride. (b) Conditions of use....

  9. 7 CFR 58.434 - Calcium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Specifications for Dairy Plants Approved for USDA Inspection and Grading Service 1 Quality Specifications for Raw Material § 58.434 Calcium chloride. Calcium chloride, when used, shall meet the requirements of the...

  10. Microbial reductive dehalogenation of vinyl chloride

    DOEpatents

    Spormann, Alfred M [Stanford, CA; Muller, Jochen A [Baltimore, MD; Rosner, Bettina M [Berlin, DE; Von Abendroth, Gregory [Mannheim, DE; Meshulam-Simon, Galit [Los Angeles, CA; McCarty, Perry L [Stanford, CA

    2014-02-11

    Compositions and methods are provided that relate to the bioremediation of chlorinated ethenes, particularly the bioremediation of vinyl chloride by Dehalococcoides-like organisms. An isolated strain of bacteria, Dehalococcoides sp. strain VS, that metabolizes vinyl chloride is provided; the genetic sequence of the enzyme responsible for vinyl chloride dehalogenation; methods of assessing the capability of endogenous organisms at an environmental site to metabolize vinyl chloride; and a method of using the strains of the invention for bioremediation.

  11. Microbial reductive dehalogenation of vinyl chloride

    DOEpatents

    Spormann, Alfred M.; Muller, Jochen A.; Rosner, Bettina M.; Von Abendroth, Gregory; Meshulam-Simon, Galit; McCarty, Perry L

    2011-11-22

    Compositions and methods are provided that relate to the bioremediation of chlorinated ethenes, particularly the bioremediation of vinyl chloride by Dehalococcoides-like organisms. An isolated strain of bacteria, Dehalococcoides sp. strain VS, that metabolizes vinyl chloride is provided; the genetic sequence of the enzyme responsible for vinyl chloride dehalogenation; methods of assessing the capability of endogenous organisms at an environmental site to metabolize vinyl chloride; and a method of using the strains of the invention for bioremediation.

  12. Electrochemical studies of hydrogen chloride gas in several room temperature ionic liquids: mechanism and sensing.

    PubMed

    Murugappan, Krishnan; Silvester, Debbie S

    2016-01-28

    The electrochemical behaviour of highly toxic hydrogen chloride (HCl) gas has been investigated in six room temperature ionic liquids (RTILs) containing imidazolium/pyrrolidinium cations and range of anions on a Pt microelectrode using cyclic voltammetry (CV). HCl gas exists in a dissociated form of H(+) and [HCl2](-) in RTILs. A peak corresponding to the oxidation of [HCl2](-) was observed, resulting in the formation of Cl2 and H(+). These species were reversibly reduced to H2 and Cl(-), respectively, on the cathodic CV scan. The H(+) reduction peak is also present initially when scanned only in the cathodic direction. In the RTILs with a tetrafluoroborate or hexafluorophosphate anion, CVs indicated a reaction of the RTIL with the analyte/electrogenerated products, suggesting that these RTILs might not be suitable solvents for the detection of HCl gas. This was supported by NMR spectroscopy experiments, which showed that the hexafluorophosphate ionic liquid underwent structural changes after HCl gas electrochemical experiments. The analytical utility was then studied in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][NTf2]) by utilising both peaks (oxidation of [HCl2](-) and reduction of protons) and linear calibration graphs for current vs. concentration for the two processes were obtained. The reactive behaviour of some ionic liquids clearly shows that the choice of the ionic liquid is very important if employing RTILs as solvents for HCl gas detection. PMID:26697927

  13. Imidazolium-containing, hydrophobic-ionic-hydrophilic ABC triblock copolymers: synthesis, ordered phase-separation, and supported membrane fabrication

    SciTech Connect

    Wiesenauer, EF; Nguyen, PT; Newell, BS; Bailey, TS; Nobleb, RD; Gin, DL

    2013-01-01

    Novel ABC triblock copolymers containing hydrophobic, imidazolium ionic liquid (IL)-based ionic, and non-charged hydrophilic blocks were synthesized by direct sequential, ring-opening metathesis polymerization (ROMP) of three chemically immiscible norborene monomers. The resulting ABC triblock copolymers were found by small-angle X-ray scattering to phase-separate into different nanostructures in their pure melt states, depending on their block sequence and compositions. Supported composite membranes of these triblock copolymers were successfully fabricated with defect-free, <= 20 microns thick top coatings. Preliminary CO2/light gas transport studies demonstrated the potential of this new type of IL-based block copolymer material for gas separation applications.

  14. Imidazolium Ionic Liquids, Imidazolylidene Heterocyclic Carbenes, and Zeolitic Imidazolate Frameworks for CO2 Capture and Photochemical Reduction.

    PubMed

    Wang, Sibo; Wang, Xinchen

    2016-02-01

    Imidazolium ionic liquids (ILs), imidazolylidene N-heterocyclic carbenes (NHCs), and zeolitic imidazolate frameworks (ZIFs) are imidazolate motifs which have been extensively investigated for CO2 adsorption and conversion applications. Summarized in this minireview is the recent progress in the capture, activation, and photochemical reduction of CO2 with these three imidazolate building blocks, from homogeneous molecular entities (ILs and NHCs) to heterogeneous crystalline scaffolds (ZIFs). The developments and existing shortcomings of the imidazolate motifs for their use in CO2 utilizations is assessed, with more of focus on CO2 photoredox catalysis. The opportunities and challenges of imidazolate scaffolds for future advancement of CO2 photochemical conversion for artificial photosynthesis are discussed. PMID:26683833

  15. Structural studies of the formation of lipoplexes between siRNA and selected bis-imidazolium gemini surfactants.

    PubMed

    Andrzejewska, W; Pietralik, Z; Skupin, M; Kozak, M

    2016-10-01

    Dicationic (gemini) surfactants are agents that can be used for the preparation of stable complexes of nucleic acids, particularly siRNA for therapeutic purposes. In this study, we demonstrated that bis-imidazolium gemini surfactants with variable lengths of dioxyalkyl linker groups (from dioxyethyl to dioxydodecyl) and dodecyl side chains are excellent for the complexation of siRNA. All of these compounds effectively complexed siRNA in a charge ratio range (p/n) of 1.5-10. The low resolution structure of siRNA oligomers was characterised by small angle scattering of synchrotron radiation (SR-SAXS) and ab initio modelling. The structures of the formed complexes were also analysed using SR-SAXS, circular dichroism studies and electrophoretic mobility tests. The most promising agents for complexation with siRNA were the surfactants that contained dioxyethyl and dioxyhexyl spacer groups. PMID:27424091

  16. Understanding the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate based ionic liquids.

    PubMed

    Mao, James X; Steckel, Janice A; Yan, Fangyong; Dhumal, Nilesh; Kim, Hyung; Damodaran, Krishnan

    2016-01-21

    Efficient CO2 capture by ionic liquids needs a thorough understanding of underlying mechanisms of the CO2 interaction with ionic liquids, especially when it involves chemisorption. In this work we have systematically investigated the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate ionic liquids using density functional theory. Solvent effects are analyzed using QM/MM and QM/QM approaches with the help of molecular dynamics simulations and ONIOM methods. The investigation of different stepwise mechanisms shows that CO2 could be involved in the first step of the reaction mechanism, also a new two-step mechanism is proposed. The final stabilization step is analyzed and pointed out to be responsible for important experimentally-observed features of the reaction. PMID:26687108

  17. Expedient Mechanosynthesis of N,N-Dialkyl Imidazoliums and Silver(I)-Carbene Complexes in a Ball-Mill.

    PubMed

    Beillard, Audrey; Golliard, Ethan; Gillet, Valentin; Bantreil, Xavier; Métro, Thomas-Xavier; Martinez, Jean; Lamaty, Frédéric

    2015-12-01

    The absence of solvent, associated with intensive mechanical agitation, allowed the first mechanosynthesis of high-value silver(I)-carbene complexes and the corresponding N,N-dialkylimidazolium precursors. This procedure gave outstanding results in terms of yield and reaction time, when compared to solution-based conditions previously described in literature, and was generalized to unprecedented compounds. Silver(I)-carbene complexes could either be obtained from N,N-dialkylimidazolium salts or directly from imidazole and alkyl halides in a one-pot two-step procedure without isolating the imidazolium intermediate. Additionally, an efficient one-pot three-step sequence, including imidazole alkylation, silver metalation, and transmetalation is reported. PMID:26489706

  18. Bis(1,3-dimethyl-1H-imidazolium) hexa-fluoro-silicate: the second monoclinic polymorph.

    PubMed

    Tian, Chong; Nie, Wanli; Borzov, Maxim V

    2013-01-01

    The title compound, 2C5H9N2 (+)·SiF6 (2-), (I), crystallized as a new polymorph, different from the previously reported one (Ia) [Light et al. (2007 ▶) private communication (refcode: NIQFAV). CCDC, Cambridge, England]. The symmetry [space groups P21/n for (I) and C2/c for(Ia)] and crystal packing patterns are markedly different for this pair of polymorphs. In (I), all imidazolium cations in the lattice are nearly parallel to each other, whereas a herringbone arrangement can be found in (Ia). In (I), each SiF6 (2-) dianion forms four short C-H⋯F contacts with adjacent C5H9N2 (+) cations, resulting in the formation of layers parallel to the ac plane. In (Ia), the C-H⋯F contacts are generally longer and result in the formation of layers along the bc plane. PMID:24109312

  19. Chemical modification for improving activity and stability of lipase B from Candida antarctica with imidazolium-functional ionic liquids.

    PubMed

    Jia, Ru; Hu, Yi; Liu, Luo; Jiang, Ling; Huang, He

    2013-11-01

    Various imidazolium-functional ionic liquids (ILs) composed of different cations and anions were grafted onto Candida antarctica lipase B (CALB) through lysine coupling, and 4-6 of the 9 primary amino groups of the lysine residues were modified. The catalytic activity and stability were investigated in a p-nitrophenyl palmitate hydrolysis reaction. After modification, CALB was activated and achieved a high catalytic efficiency in the aqueous phase (e.g., [HOOCMMIm][Cl] modification showed a 1.5-fold increase in the catalytic efficiency). The thermostability and organic solvent tolerance were significantly increased with the ILs modification (e.g., [HOOCBMIm][Cl] owned kosmotropic cation and chaotropic anion modification showed a 7-fold thermostability increase at 70 °C, 1-fold increase in 50% aqueous dimethylformamide and 5-fold increase in 50% aqueous methanol). Conformation changes were confirmed by fluorescence spectroscopy, circular dichroism spectroscopy and attenuated total reflection Fourier transform infrared spectroscopy. PMID:24057321

  20. Selenium containing imidazolium salt in designing single source precursors for silver bromide and selenide nano-particles.

    PubMed

    Joshi, Hemant; Sharma, Kamal Nayan; Singh, Ved Vati; Singh, Pradhumn; Singh, Ajai Kumar

    2013-02-21

    The AgBr and Ag(2)Se nanoparticles (NPs) have been synthesized for the first time from two single source precursors ([Ag(2)(L)(2)Br(2)] (1) and [Ag(L-HBr)(2)]BF(4) (2) respectively) designed using the same ligand 3-benzyl-1-(2-phenylselanyl-ethyl)-3H-imidazolium bromide (L). The ODE-ODA-OA (1 : 1 : 2) and TOP-OA (1 : 2) are most suitable solvents for thermolysis of 1 and 2 respectively, resulting in the NPs. The composition of the solvent used in thermolysis affects the purity of NPs. The bonding of L in 1 is unique, as it has a pre-carbene site intact. PMID:23292353

  1. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Magnesium chloride. 184.1426 Section 184.1426 Food... Specific Substances Affirmed as GRAS § 184.1426 Magnesium chloride. (a) Magnesium chloride (MgC12·6H2O, CAS... mineral bischofite. It is prepared by dissolving magnesium oxide, hydroxide, or carbonate in...

  2. 21 CFR 182.8985 - Zinc chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Zinc chloride. 182.8985 Section 182.8985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8985 Zinc chloride. (a) Product. Zinc chloride. (b)...

  3. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  4. 21 CFR 182.8985 - Zinc chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Zinc chloride. 182.8985 Section 182.8985 Food and... CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance is generally recognized as safe when used...

  5. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  6. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  7. 21 CFR 182.8985 - Zinc chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Zinc chloride. 182.8985 Section 182.8985 Food and... CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance is generally recognized as safe when used...

  8. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  9. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  10. 21 CFR 182.8985 - Zinc chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Zinc chloride. 182.8985 Section 182.8985 Food and... CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance is generally recognized as safe when used...

  11. 21 CFR 182.8985 - Zinc chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Zinc chloride. 182.8985 Section 182.8985 Food and... CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance is generally recognized as safe when used...

  12. REMOVAL OF CHLORIDE FROM AQUEOUS SOLUTIONS

    DOEpatents

    Schulz, W.W.

    1959-08-01

    The removal of chlorides from aqueons solutions is described. The process involves contacting the aqueous chloride containing solution with a benzene solution about 0.005 M in phenyl mercuric acetate whereby the chloride anions are taken up by the organic phase and separating the organic phase from the aqueous solutions.

  13. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  14. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium chloride. 184.1138 Section 184.1138...

  15. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  16. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  17. 21 CFR 182.8252 - Choline chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Choline chloride. 182.8252 Section 182.8252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8252 Choline chloride. (a) Product. Choline chloride....

  18. 21 CFR 582.1193 - Calcium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Calcium chloride. 582.1193 Section 582.1193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1193 Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This...

  19. 21 CFR 582.6193 - Calcium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Calcium chloride. 582.6193 Section 582.6193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This substance is...

  20. 7 CFR 58.434 - Calcium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 3 2010-01-01 2010-01-01 false Calcium chloride. 58.434 Section 58.434 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Material § 58.434 Calcium chloride. Calcium chloride, when used, shall meet the requirements of the...

  1. 21 CFR 582.5622 - Potassium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Potassium chloride. 582.5622 Section 582.5622 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Supplements 1 § 582.5622 Potassium chloride. (a) Product. Potassium chloride. (b) Conditions of use....

  2. 21 CFR 582.5622 - Potassium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Potassium chloride. 582.5622 Section 582.5622 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Supplements 1 § 582.5622 Potassium chloride. (a) Product. Potassium chloride. (b) Conditions of use....

  3. 21 CFR 582.5622 - Potassium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Potassium chloride. 582.5622 Section 582.5622 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Supplements 1 § 582.5622 Potassium chloride. (a) Product. Potassium chloride. (b) Conditions of use....

  4. 21 CFR 582.5622 - Potassium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Potassium chloride. 582.5622 Section 582.5622 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Supplements 1 § 582.5622 Potassium chloride. (a) Product. Potassium chloride. (b) Conditions of use....

  5. 21 CFR 582.5622 - Potassium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Potassium chloride. 582.5622 Section 582.5622 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Supplements 1 § 582.5622 Potassium chloride. (a) Product. Potassium chloride. (b) Conditions of use....

  6. 46 CFR 151.50-34 - Vinyl chloride (vinyl chloride monomer).

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Vinyl chloride (vinyl chloride monomer). 151.50-34 Section 151.50-34 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Special Requirements § 151.50-34 Vinyl chloride (vinyl chloride monomer). (a)...

  7. Electronic absorption spectra of imidazolium-based ionic liquids studied by far-ultraviolet spectroscopy and quantum chemical calculations.

    PubMed

    Tanabe, Ichiro; Kurawaki, Yuji; Morisawa, Yusuke; Ozaki, Yukihiro

    2016-08-10

    Electronic absorption spectra of imidazolium-based ionic liquids were studied by far- and deep-ultraviolet spectroscopy and quantum chemical calculations. The absorption spectra in the 145-300 nm region of imidazolium-based ionic liquids, [Cnmim](+)[BF4](-) (n = 2, 4, 8) and [C4mim](+)[PF6](-), were recorded using our original attenuated total reflectance (ATR) system spectrometer. The obtained spectra had two definitive peaks at ∼160 and ∼210 nm. Depending on the number of carbon atoms in the alkyl side chain, the peak wavelength around 160 nm changed, while that around 210 nm remained at almost the same wavelength. Quantum chemical calculation results based on the time-dependent density functional theory (TD-DFT) also showed the corresponding peak shifts. In contrast, there was almost no significant difference between [C4mim](+)[BF4](-) and [C4mim](+)[PF6](-), which corresponded with our calculations. Therefore, it can be concluded that the absorption spectra in the 145-300 nm region are mainly determined by the cations when fluorine-containing anions are adopted. In addition, upon addition of organic solvent (acetonitrile) to [C4mim](+)[BF4](-), small peak shifts to the longer wavelength were revealed for both peaks at ∼160 and ∼210 nm. The peak shift in the deep-ultraviolet region (≤200 nm) in the presence of the solvent, which indicates the change of electronic states of the ionic liquid, was experimentally observed for the first time by using the ATR spectrometer. PMID:27471106

  8. Aggregation Behavior of Imidazolium-Based Surface-Active Ionic Liquids with Photoresponsive Cinnamate Counterions in the Aqueous Solution.

    PubMed

    Bi, Yanhui; Zhao, Liuchen; Hu, Qiongzheng; Gao, Yan'an; Yu, Li

    2015-11-24

    Two imidazolium-based surface active ionic liquids (SAILs) with photoresponsive cinnamate aromatic counterions, viz. 1-dodecyl-3-methylimidazolium cinnamate ([C12mim][CA]) and 1-dodecyl-3-methylimidazolium para-hydroxy-cinnamate ([C12mim][PCA]), were newly synthesized, and their self-assembly behaviors in aqueous solutions were systematically explored. Results of surface tension and conductivity measurements show that both [C12mim][CA] and [C12mim][PCA] display a superior surface activity in aqueous solutions compared to the common imidazolium-based SAIL, 1-dodecyl-3-methylimidazolium bromide (C12mimBr), which implies the incorporation of cinnamate aromatic counterions can promote the micellar formation. Furthermore, [C12mim][CA] shows higher surface activity due to the higher hydrophobicity of its counterion in comparison to [C12mim][PCA] that has a hydroxyl group. Both hexagonal liquid-crystalline phase (H1) and cubic liquid-crystalline phase (V2) were constructed in the [C12mim][CA] aqueous solutions. In contrast, the [C12mim][PCA]/H2O system only exhibits a single hexagonal liquid-crystalline phase (H1) in a broad concentration region. These lyotropic liquid crystal (LLC) phases were comprehensively characterized by polarized optical microscopy (POM), small-angle X-ray scattering (SAXS), and rheometer. Investigation on the temperature-dependent self-assembly nanostructures demonstrates that the higher temperature leads to a looser arrangement. Under UV irradiation, trans-cis photoisomerization of the phenylalkene group results in inferior surface activity of the prepared SAILs in aqueous solution with higher cmc values. Moreover, UV light irradiation induces obvious change of the structural parameters without altering the LLC phases. This work is expected to enrich the investigations of phase behaviors formed in SAILs systems and receive particular attention due to their unique properties and potential applications in drug delivery, biochemistry, materials

  9. Mechanism of imidazolium ionic liquids toxicity in Saccharomyces cerevisiae and rational engineering of a tolerant, xylose-fermenting strain

    DOE PAGESBeta

    Dickinson, Quinn; Bottoms, Scott; Hinchman, Li; McIlwain, Sean; Li, Sheena; Myers, Chad L.; Boone, Charles; Coon, Joshua J.; Hebert, Alexander; Sato, Trey K.; et al

    2016-01-20

    In this study, imidazolium ionic liquids (IILs) underpin promising technologies that generate fermentable sugars from lignocellulose for future biorefineries. However, residual IILs are toxic to fermentative microbes such as Saccharomyces cerevisiae, making IIL-tolerance a key property for strain engineering. To enable rational engineering, we used chemical genomic profiling to understand the effects of IILs on S. cerevisiae. As a result, we found that IILs likely target mitochondria as their chemical genomic profiles closely resembled that of the mitochondrial membrane disrupting agent valinomycin. Further, several deletions of genes encoding mitochondrial proteins exhibited increased sensitivity to IIL. High-throughput chemical proteomics confirmed effectsmore » of IILs on mitochondrial protein levels. IILs induced abnormal mitochondrial morphology, as well as altered polarization of mitochondrial membrane potential similar to valinomycin. Deletion of the putative serine/threonine kinase PTK2 thought to activate the plasma-membrane proton efflux pump Pma1p conferred a significant IIL-fitness advantage. Conversely, overexpression of PMA1 conferred sensitivity to IILs, suggesting that hydrogen ion efflux may be coupled to influx of the toxic imidazolium cation. PTK2 deletion conferred resistance to multiple IILs, including [EMIM]Cl, [BMIM]Cl, and [EMIM]Ac. An engineered, xylose-converting ptk2Δ S. cerevisiae (Y133-IIL) strain consumed glucose and xylose faster and produced more ethanol in the presence of 1 % [BMIM]Cl than the wild-type PTK2 strain. We propose a model of IIL toxicity and resistance. In conclusion, this work demonstrates the utility of chemical genomics-guided biodesign for development of superior microbial biocatalysts for the ever-changing landscape of fermentation inhibitors.« less

  10. Optical properties of irradiated imidazolium based room temperature ionic liquids: new microscopic insights into the radiation induced mutations.

    PubMed

    Guleria, Apurav; Singh, Ajay K; Adhikari, Soumyakanti

    2015-04-28

    Considering the future perspectives of room temperature ionic liquids (RTILs) in areas involving high radiation fields (such as the nuclear fuel cycle and space applications), it is essential to probe and have a microscopic understanding of the radiation induced perturbations in the molecular structures and the intrinsic bonding interactions existing in the ILs. Herein, a focused investigation concerning the photophysical behavior of post-irradiated FAP (fluoroalkyl phosphate) imidazolium ILs revealed considerable rearrangements and bonding realignments of the ionic moieties in the ILs on irradiation, however, their physicochemical properties do not change significantly even at high absorbed doses. Most interestingly, the well-established excitation wavelength dependent fluorescence (FL) behavior of the ILs was considerably perturbed on irradiation and this is attributed to the radiation induced decoupling of pre-existing different associated structures of ions, and the subsequent formation of oligomers and other species containing multiple bond order groups. This was further substantiated by vibrational studies, where peaks appearing in the range 1600-1800 cm(-1) indicated the formation of double bonded products. Furthermore, for the hydroxyl functionalized (in the alkyl side chain of the imidazolium cation) IL, a blue shift in the O-H stretching frequency was observed for the -OH group H-bonded to the FAP anion (νOH···[FAP](-)), while a red shift was observed for the H-bonded -OH groups in the cationic clusters. The FL lifetime values were found to increase with irradiation, which clearly indicates the enhancement in the rigidity level in the vicinity of the ions, thereby hindering the non-radiative decay processes. Such studies could contribute to the fundamental understanding of the radiation driven perturbations in the structure-property relationships, which eventually affect the radiolytic degradation pathways and the product distribution in RTILs. PMID

  11. Identification and characterization of an imidazolium by-product formed during the synthesis of 4-methylmethcathinone (mephedrone).

    PubMed

    Power, John D; Kavanagh, Pierce; McLaughlin, Gavin; O'Brien, John; Talbot, Brian; Barry, Michael; Twamley, Brendan; Dowling, Geraldine; Brandt, Simon D

    2015-10-01

    4-Methylmethcathinone (2-methylamino-1-(4-methylphenyl)propan-1-one, mephedrone) is a psychoactive substance that has been associated with recreational use worldwide. Analytical data related to mephedrone are abundantly available but the characterization of by-products obtained during organic synthesis remains to be explored. This study presents the identification of a 1,2,3,5-tetramethyl-4-(4-methylphenyl)-1H-imidazol-3-ium salt (TMMPI), which was formed during the synthesis of mephedrone. When diethyl ether was added to the crude reaction product, solid material precipitated from the solution. Analytical characterization of TMMPI employed a range of analytical techniques including chromatographic analysis in combination with various mass spectrometric detection methods, nuclear magnetic resonance spectroscopy, and crystal structure analysis. Additional confirmation was obtained from organic synthesis of the imidazolium by-product. When TMMPI was subjected to analysis by gas chromatography-mass spectrometry (GC-MS), isomerization and degradation into two distinct compounds were observed, which pointed towards thermal instability under GC conditions. A liquid chromatography-mass spectrometry (LC-MS) based investigation into a micro-scale synthesis of mephedrone and three additional analogues revealed that the corresponding TMMPI analogue was formed. Interestingly, storage of mephedrone freebase in a number of organic solvents also gave rise to TMMPI and it appeared that its formation during storage was significantly reduced in the absence of air. The present study aimed to support clandestine forensic investigations by employing analytical strategies that are applicable to manufacturing sites. The imidazolium salts will most likely be found amongst the waste products of any clandestine lab site under investigation rather than with the desired product. PMID:25847393

  12. Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.

    PubMed

    Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan

    2015-11-16

    The first complexes containing imidazolium-2-amidinates as ligands (betaine-type adducts of imidazolium-based carbenes and carbodiimides, NHC-CDI) are reported. Interaction of the sterically hindered betaines ICyCDI(DiPP) and IMeCDI(DiPP) [both bearing 2,6-diisopropylphenyl (DiPP) substituents on the terminal N atoms] with Cu(I) acetate affords mononuclear, electroneutral complexes 1a and 1b, which contain NHC-CDI and acetate ligands terminally bound to linear Cu(I) centers. In contrast, the less encumbered ligand ICyCDI(p-Tol), with p-tolyl substituents on the nitrogen donor atoms, affords a dicationic trigonal paddlewheel complex, [Cu2(μ-ICyCDI(p-Tol))3](2+)[OAc(-)]2 (2-OAc). The nuclear magnetic resonance (NMR) resonances of this compound are broad and indicate that in solution the acetate anion and the betaine ligands compete for binding the Cu atom. Replacing the external acetate with the less coordinating tetraphenylborate anion provides the corresponding derivative 2-BPh4 that, in contrast with 2-OAc, gives rise to sharp and well-defined NMR spectra. The short Cu-Cu distance in the binuclear dication [Cu2(μ-ICyCDI(p-Tol))3](2+) observed in the X-ray structures of 2-BPh4 and 2-OAc, ca. 2.42 Å, points to a relatively strong "cuprophilic" interaction. Attempts to force the bridging coordination mode of IMeCDI(DiPP) displacing the acetate anion with BPh4(-) led to the isolation of the cationic mononuclear derivative [Cu(IMeCDI(DiPP))2](+)[BPh4](-) (3b) that contains two terminally bound betaine ligands. Compound 3b readily decomposes upon being heated, cleanly affording the bis-carbene complex [Cu(IMe)2](+)[BPh4(-)] (4) and releasing the corresponding carbodiimide (C(═N-DiPP)2). PMID:26517572

  13. Shock compression of polyvinyl chloride

    NASA Astrophysics Data System (ADS)

    Neogi, Anupam; Mitra, Nilanjan

    2016-04-01

    This study presents shock compression simulation of atactic polyvinyl chloride (PVC) using ab-initio and classical molecular dynamics. The manuscript also identifies the limits of applicability of classical molecular dynamics based shock compression simulation for PVC. The mechanism of bond dissociation under shock loading and its progression is demonstrated in this manuscript using the density functional theory based molecular dynamics simulations. The rate of dissociation of different bonds at different shock velocities is also presented in this manuscript.

  14. Chloride flux out of Yellowstone National Park

    NASA Astrophysics Data System (ADS)

    Norton, Daniel R.; Friedman, Irving

    1985-12-01

    Monitoring of the chloride concentration, electrical conductivity, and discharge was carried out for the four major rivers of Yellowstone National Park from September 1982 to January 1984. Chloride flux out of the Park was determined from the measured values of chloride concentration and discharge. The annual chloride flux from the Park was 5.86 × 10 10 g. Of this amount 45% was from the Madison River drainage basin, 32% from the Yellowstone River basin, 12% from the Snake River basin, and 11% from the Falls River basin. Of the annual chloride flux from the Yellowstone River drainage basin 36% was attributed to the Yellowstone Lake drainage basin. The geothermal contribution to the chloride flux was determined by subtracting the chloride contribution from rock weathering and atmospheric precipitation and is 94% of the total chloride flux. Calculations of the geothermal chloride flux for each river are given and the implications of an additional chloride flux out of the western Park boundary discussed. An anomalous increase in chloride flux out of the Park was observed for several weeks prior to the Mt. Borah earthquake in Central Idaho on October 28, 1983, reaching a peak value shortly thereafter. It is suggested that the rise in flux was a precursor of the earthquake. The information in this paper provides baseline data against which future changes in the hydrothermal systems can be measured. It also provides measurements related to the thermal contributions from the different drainage basins of the Park.

  15. Chloride flux out of Yellowstone National Park

    USGS Publications Warehouse

    Norton, D.R.; Friedman, I.

    1985-01-01

    Monitoring of the chloride concentration, electrical conductivity, and discharge was carried out for the four major rivers of Yellowstone National Park from September 1982 to January 1984. Chloride flux out of the Park was determined from the measured values of chloride concentration and discharge. The annual chloride flux from the Park was 5.86 ?? 1010 g. Of this amount 45% was from the Madison River drainage basin, 32% from the Yellowstone River basin, 12% from the Snake River basin, and 11% from the Falls River basin. Of the annual chloride flux from the Yellowstone River drainage basin 36% was attributed to the Yellowstone Lake drainage basin. The geothermal contribution to the chloride flux was determined by subtracting the chloride contribution from rock weathering and atmospheric precipitation and is 94% of the total chloride flux. Calculations of the geothermal chloride flux for each river are given and the implications of an additional chloride flux out of the western Park boundary discussed. An anomalous increase in chloride flux out of the Park was observed for several weeks prior to the Mt. Borah earthquake in Central Idaho on October 28, 1983, reaching a peak value shortly thereafter. It is suggested that the rise in flux was a precursor of the earthquake. The information in this paper provides baseline data against which future changes in the hydrothermal systems can be measured. It also provides measurements related to the thermal contributions from the different drainage basins of the Park. ?? 1985.

  16. Pair dynamics and the intermolecular nuclear Overhauser effect (NOE) in liquids analysed by simulation and model theories: Application to an ionic liquid

    SciTech Connect

    Gabl, Sonja; Schröder, Christian; Braun, Daniel; Steinhauser, Othmar; Weingärtner, Hermann

    2014-05-14

    Combining simulation and model theories, this paper analyses the impact of pair dynamics on the intermolecular nuclear Overhauser effect (NOE) in liquids. For the first time, we give a distance resolved NOE. When applied to the ionic liquid 1-ethyl-3-methyl-imidazolium tetrafluoroborate the NOE turns out to be of long-range nature. This behaviour translates to the experimentally measured cross- and longitudinal relaxation rates. We were able to calculate the heteronuclear NOE from simulation data, despite the high computational effort. Model theories are computationally less demanding and cover the complete frequency range of the respective spectral density function, they are usually based on a very simple pair distribution function and the solution of the diffusion equation. In order to model the simulated data sufficiently, these simplifications in structure and dynamics have to be generalised considerably.

  17. Design and position control of AF lens actuator for mobile phone using IPMC-EMIM

    NASA Astrophysics Data System (ADS)

    Kim, Sung-Joo; Kim, Chul-Jin; Park, No-Cheol; Yang, Hyun-Seok; Park, Young-Pil; Park, Kang-Ho; Lee, Hyung-Kun; Choi, Nak-Jin

    2008-03-01

    IPMC-EMIM (Ionic Polyer Metal Composites + 1-ethyl-3- methyl imidazolium trifluromethane sulfonate, EMIM-Tfo) is fabricated by substituting ionic liquid for water in Nafion film, which improves water sensitiveness of IPMC and guarantees uniform performance regardless of the surrounding environment. In this paper, we will briefly introduce the procedure of fabrication of IPMC-EMIM and proceed to introduce the Hook-type actuator using IPMC-EMIM and application to AF Lens actuator. Parameters of Hook-type actuator are estimated from experimental data. In the simulation, The proposed AF Lens Actuator is assumed to be a linear system and based on estimated parameters, PID controller will be designed and controlled motion of AF Lens actuator will be shown through simulation.

  18. D.C. voltammetry of ionic liquid-based capacitors: effects of Faradaic reactions, electrolyte resistance and voltage scan speed investigated using an electrode of carbon nanotubes in EMIM-EtSO4.

    PubMed

    Zheng, J P; Pettit, C M; Goonetilleke, P C; Zenger, G M; Roy, D

    2009-05-15

    Carbon nanotube (CNT) electrodes in combination with ionic liquid (IL) electrolytes are potentially important for energy storage systems. We report electrochemical investigation of such a system involving a paper-electrode of multi-wall CNT (MWCNT) in the IL of 1-ethyl-3-methyl imidazolium ethylsulfate (EMIM-EtSO(4)). Our study concentrates on the analytical aspects of cyclic voltammetry (CV) to probe the double layer capacitance of these relatively unconventional systems (that involve rather large charge-discharge time constants). Both theoretical and experimental aspects of CV for such systems are discussed, focusing in particular, on the effects of Faradaic side-reactions, electrolyte resistance and voltage scan speeds. The results are analyzed using an electrode equivalent circuit (EEC) model, demonstrating a method to account for the typical artifacts expected in CV of CNT-IL interfaces. PMID:19269472

  19. Influence of water on swelling and dissolution of cellulose in 1-ethyl-3-methylimidazolium acetate.

    PubMed

    Olsson, Carina; Idström, Alexander; Nordstierna, Lars; Westman, Gunnar

    2014-01-01

    In this study the effect of residual coagulation medium (water) on cellulose dissolution in an ionic liquid is discussed. Solubility of dissolving grade pulp; HWP and SWP, and microcrystalline cellulose in binary solvents, mixtures of 1-ethyl-3-methyl-imidazolium acetate and water, was investigated by turbidity measurements, light microscopy, rheometry, and CP/MAS (13)C-NMR spectroscopy. The viscoelastic properties of the cellulose solutions imply that residual water affect the cellulose dissolution. However, it is not obvious that this always necessarily poses serious drawbacks for the solution properties or that the effects are as severe as previously believed. Turbidity measurements, viscosity data and crystallinity of the regenerated cellulose correlated well and an increased conversion to cellulose II was found at low water and cellulose contents with an apparent maximum of conversion at 2-5 wt% water. At high water content, above 10 wt%, dissolution and conversion was largely inhibited. PMID:24274528

  20. The role of molar conductivity in electrospray cone-jet mode current scaling

    NASA Astrophysics Data System (ADS)

    Smith, Katharine L.; Alexander, Matthew S.; Stark, John P. W.

    2006-07-01

    A high accuracy online flow rate measurement system has been used to determine the current flow rate scaling relationships for solutions of organic solvents doped with sodium iodide and for the ionic liquid 1-ethyl-3-methyl imidazolium tetrafluoroborate over a range of conductivities from 0.0025-1.3S/m. The current flow rate trends for these solutions were found to exhibit a power law relationship similar to that described by previous researchers, where I (the electrospray current) is proportional to Q (the volumetric flow rate) to some power n. However, the exponent n of the current flow rate trends was found to differ from the theoretical predictions reported in the literature. A study including data from literature revealed the exponent of the current flow rate trends to be sensitive to the molar conductivity of the sprayed solution.

  1. Rechargeable Aluminum-Ion Batteries

    SciTech Connect

    Paranthaman, Mariappan Parans; Liu, Hansan; Sun, Xiao-Guang; Dai, Sheng; Brown, Gilbert M

    2015-01-01

    This chapter reports on the development of rechargeable aluminum-ion batteries. A possible concept of rechargeable aluminum/aluminum-ion battery based on low-cost, earth-abundant Al anode, ionic liquid EMImCl:AlCl3 (1-ethyl-3-methyl imidazolium chloroaluminate) electrolytes and MnO2 cathode has been proposed. Al anode has been reported to show good reversibility in acid melts. However, due to the problems in demonstrating the reversibility in cathodes, alternate battery cathodes and battery concepts have also been presented. New ionic liquid electrolytes for reversible Al dissolution and deposition are needed in the future for replacing corrosive EMImCl:AlCl3 electrolytes.

  2. Salt, chloride, bleach, and innate host defense

    PubMed Central

    Wang, Guoshun; Nauseef, William M.

    2015-01-01

    Salt provides 2 life-essential elements: sodium and chlorine. Chloride, the ionic form of chlorine, derived exclusively from dietary absorption and constituting the most abundant anion in the human body, plays critical roles in many vital physiologic functions, from fluid retention and secretion to osmotic maintenance and pH balance. However, an often overlooked role of chloride is its function in innate host defense against infection. Chloride serves as a substrate for the generation of the potent microbicide chlorine bleach by stimulated neutrophils and also contributes to regulation of ionic homeostasis for optimal antimicrobial activity within phagosomes. An inadequate supply of chloride to phagocytes and their phagosomes, such as in CF disease and other chloride channel disorders, severely compromises host defense against infection. We provide an overview of the roles that chloride plays in normal innate immunity, highlighting specific links between defective chloride channel function and failures in host defense. PMID:26048979

  3. Salt, chloride, bleach, and innate host defense.

    PubMed

    Wang, Guoshun; Nauseef, William M

    2015-08-01

    Salt provides 2 life-essential elements: sodium and chlorine. Chloride, the ionic form of chlorine, derived exclusively from dietary absorption and constituting the most abundant anion in the human body, plays critical roles in many vital physiologic functions, from fluid retention and secretion to osmotic maintenance and pH balance. However, an often overlooked role of chloride is its function in innate host defense against infection. Chloride serves as a substrate for the generation of the potent microbicide chlorine bleach by stimulated neutrophils and also contributes to regulation of ionic homeostasis for optimal antimicrobial activity within phagosomes. An inadequate supply of chloride to phagocytes and their phagosomes, such as in CF disease and other chloride channel disorders, severely compromises host defense against infection. We provide an overview of the roles that chloride plays in normal innate immunity, highlighting specific links between defective chloride channel function and failures in host defense. PMID:26048979

  4. Crystal structure of catena-poly[hemi[1,3-bis­(2,6-diisoprop­ylphenyl)imidazolium] [[μ3-acetato-κ3 O:O:O′-tri-μ2-acetato-κ6 O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] di­chloro­methane sesqui­solvate

    PubMed Central

    Iqbal, Mohammad; Raftery, James; Quayle, Peter

    2015-01-01

    The title copper(II) complex, {(C27H37N2)[Cu4(CH3COO)8Cl]·3CH2Cl2}n, is a one-dimensional coordination polymer. The asymmetric unit is composed of a copper(II) tetra­acetate paddle-wheel complex, a Cl− anion situated on a twofold rotation axis, half a 1,3-bis­(2,6-diisoprop­ylphenyl)imidazolium cation (the whole mol­ecule being generated by twofold rotation symmetry) and one and a half of a di­chloro­methane solvent mol­ecule (one being located about a twofold rotation axis). The central metal-organic framework comprises of a tetra­nuclear copper(II) acetate ‘paddle-wheel’ complex which arises from the dimerization of the copper(II) tetra­acetate core comprising of three μ2-bidentate acetate and one μ3-tridentate acetate ligands per binuclear paddle-wheel complex. Both CuII atoms of the binuclear component adopt a distorted square-pyramidal coordination geometry (τ = 0.04), with a Cu⋯Cu separation of 2.6016 (2) Å. The apical coordination site of one CuII atom is occupied by an O atom of a neighbouring acetate bridge [Cu—O = 2.200 (2) Å], while that of the second CuII atom is occupied by a bridging chloride ligand [Cu⋯Cl = 2.4364 (4) Å]. The chloride bridge is slightly bent with respect to the Cu⋯Cu inter­nuclear axis [Cu—Cl—Cu = 167.06 (6)°] and the tetra­nuclear units are located about a twofold rotation axis, forming the one-dimensional polymer that propagates along [101]. Charge neutrality is maintained by the inclusion of the 1,3-bis­(2,6-diisoprop­ylphenyl)imidazolium cation within the crystal lattice. In the crystal, the cation and di­chloro­methane solvent mol­ecules are linked to the coordin­ation polymer by various C—H⋯O and C—H⋯Cl hydrogen bonds. There are no other significant inter­molecular inter­actions present. PMID:26396778

  5. Crystal structure of catena-poly[hemi[1,3-bis-(2,6-diisoprop-ylphenyl)imidazolium] [[μ3-acetato-κ(3) O:O:O'-tri-μ2-acetato-κ(6) O:O'-dicopper(II)(Cu-Cu)]-μ-chlorido] di-chloro-methane sesqui-solvate].

    PubMed

    Iqbal, Mohammad; Raftery, James; Quayle, Peter

    2015-08-01

    The title copper(II) complex, {(C27H37N2)[Cu4(CH3COO)8Cl]·3CH2Cl2} n , is a one-dimensional coordination polymer. The asymmetric unit is composed of a copper(II) tetra-acetate paddle-wheel complex, a Cl(-) anion situated on a twofold rotation axis, half a 1,3-bis-(2,6-diisoprop-ylphenyl)imidazolium cation (the whole mol-ecule being generated by twofold rotation symmetry) and one and a half of a di-chloro-methane solvent mol-ecule (one being located about a twofold rotation axis). The central metal-organic framework comprises of a tetra-nuclear copper(II) acetate 'paddle-wheel' complex which arises from the dimerization of the copper(II) tetra-acetate core comprising of three μ2-bidentate acetate and one μ3-tridentate acetate ligands per binuclear paddle-wheel complex. Both Cu(II) atoms of the binuclear component adopt a distorted square-pyramidal coordination geometry (τ = 0.04), with a Cu⋯Cu separation of 2.6016 (2) Å. The apical coordination site of one Cu(II) atom is occupied by an O atom of a neighbouring acetate bridge [Cu-O = 2.200 (2) Å], while that of the second Cu(II) atom is occupied by a bridging chloride ligand [Cu⋯Cl = 2.4364 (4) Å]. The chloride bridge is slightly bent with respect to the Cu⋯Cu inter-nuclear axis [Cu-Cl-Cu = 167.06 (6)°] and the tetra-nuclear units are located about a twofold rotation axis, forming the one-dimensional polymer that propagates along [101]. Charge neutrality is maintained by the inclusion of the 1,3-bis-(2,6-diisoprop-ylphenyl)imidazolium cation within the crystal lattice. In the crystal, the cation and di-chloro-methane solvent mol-ecules are linked to the coordin-ation polymer by various C-H⋯O and C-H⋯Cl hydrogen bonds. There are no other significant inter-molecular inter-actions present. PMID:26396778

  6. A silane-based electroactive film prepared in an imidazolium chloroaluminate molten salt

    SciTech Connect

    Carlin, R.T. . Frank J. Seiler Research Lab.); Osteryoung, R.A. . Dept. of Chemistry)

    1994-07-01

    Electrochemical oxidation of Ph[sub 3]SiCl (Ph = phenyl) in the room-temperature molten salt AlCl[sub 3]:EMICl (EMICl = 1-ethyl-3-methylimidazolium chloride) results in the formation of an adherent electroactive film on the surface of solid electrodes. The film is reversibly oxidized and reduced in the molten salt and is conducting when in the oxidized state. Based on x-ray photoelectron spectroscopy analysis, the film consists of both a silane and an imidazole component, and the charge storage properties of the film are localized on the heterocyclic rings. This electroactive film compares favorably to other conducting polymers currently being investigated as positive electrodes in room-temperature molten salt batteries.

  7. Imidazolium Sulfonates as Environmental-Friendly Catalytic Systems for the Synthesis of Biologically Active 2-Amino-4H-chromenes: Mechanistic Insights.

    PubMed

    Velasco, Jacinto; Pérez-Mayoral, Elena; Calvino-Casilda, Vanesa; López-Peinado, Antonio J; Bañares, Miguel A; Soriano, Elena

    2015-09-10

    Ionic Liquids (ILs) are valuable reaction media extremely useful in industrial sustainable organic synthesis. We describe here the study on the multicomponent reaction (MCR) between salicylaldehyde (2) and ethyl cyanoacetate (3), catalyzed by imidazolium sulfonates, to form chromenes 1, a class of heterocyclic scaffolds exhibiting relevant biological activity. We have clarified the reaction mechanism by combining the experimental results with computational studies. The results reported herein suggest that both the imidazolium core and the sulfonate anions in the selected ILs are involved in the reaction course acting as hydrogen bond donors and acceptors, respectively. Contrarily to the most widely accepted mechanism through initial Knoevenagel condensation, the most favorable reaction pathway consists of an aldolic reaction between reagents followed by heterocyclization, subsequent dehydration, and, finally, the Michael addition of the second molecule of ethyl cyanoacetate (3) to yield the chromenes 1. PMID:26301460

  8. Crystal structure of 1-butyl-2,3-di­methyl­imidazolium dicarba-7,8-nido-undeca­borate

    PubMed Central

    Klemes, M. J.; Soderstrom, L.; Hunting, J. L.; Larsen, A. S.

    2015-01-01

    In the title mol­ecular salt, C9H17N2 +·C2H12B9 −, the carborane cage has a bridging B—H—B bond on the open B3C2 face. The butyl side chain of the cation adopts an extended conformation [C—C—C—C = 179.6 (1)°]. In the crystal, the imidazolium ring is almost coplanar with the open face of the carborane anion. The cations stack in the [010] direction and the dihedral angle between the imidazolium rings of adjacent cations is 68.45 (6)°. The butyl chains extend into the space between carborane anions. PMID:25844238

  9. Enzymatic hydrolysis of cellulose pretreated with ionic liquids and N-methyl Morpholine N-Oxide

    NASA Astrophysics Data System (ADS)

    Yau Li, Elizabeth

    The effect of N-methyl Morpholine N-Oxide (NMMO), 1-ethyl-3-methyl-imidazolium acetate ([Emim]Ac) and 1-ethyl-3-methyl-imidazolium diethyl phosphate ([Emim]DEP) on pretreatment and enzymatic hydrolysis of dissolving pulp was studied. X-ray diffraction measurements of regenerated cellulose from these solvents showed that solvent pretreatment reduces the crystallinity of cellulose. However, crystallinity might not be a major factor affecting the in-situ enzymatic hydrolysis of cellulose in these solvents. Although regenerated cellulose from [Emim]DEP showed the lowest crystallinity index (˜15%), in-situ enzymatic hydrolysis of cellulose dissolved in NMMO showed the highest cellulose conversion (68% compared to 65% for [Emim]Ac and 37% for [Emim]DEP at enzyme loading of 122 FPU/g). Moreover, results showed that enzymes could tolerate up to NMMO concentration of 100 g/L and still yield full conversion of cellulose. Since it is not necessary to remove all the NMMO, less amount of water will be required for the washing step and thus the process will be more economical. The HCH-1 model was used in an attempt to model the enzymatic hydrolysis of cellulose in NMMO. With the incorporation of NMMO inhibition and a factor to account for unreacted cellulose, the model was able to correlate the experimental data of the enzymatic hydrolysis of cellulose (6.68 g/L) at various NMMO concentrations (0, 50, 100, 150 and 250 g/L). However, the experimental results also suggest that NMMO might be deactivating the enzymes rather than inhibiting them. More studies need to be done at varying cellulose, NMMO and enzyme concentrations to find the exact nature of this deactivation of NMMO.

  10. DFT Study of the Reaction Mechanisms of Carbon Dioxide and its Isoelectronic Molecules CS2 and OCS Dissolved in Pyrrolidinium and Imidazolium Acetate Ionic Liquids.

    PubMed

    Danten, Y; Cabaço, M I; Coutinho, J A P; Pinaud, Noël; Besnard, M

    2016-06-16

    The reaction mechanisms of CO2 and its isoelectronic molecules OCS and CS2 dissolved in N-butyl-N-methylpyrrolidinium acetate and in 1-butyl-3-methylimidazolium acetate were investigated by DFT calculations in "gas phase". The analysis of predicted multistep pathways allowed calculating energies of reaction and energy barriers of the processes. The major role played by the acetate anion in the degradation of the solutes CS2 and OCS as well as in the capture of OCS and CO2 by the imidazolium ring is highlighted. In both ionic liquids, this anion governs the conversion of CS2 into OCS and of OCS into CO2 through interatomic S-O exchanges between the anion and the solutes with formation of thioacetate anions. In imidazolium acetate, the selective capture of CS2 and OCS by the imidazolium ring competes with the S-O exchanges. From the calculated values of the energy barriers a basicity scale of the anions is proposed. The (13)C NMR chemical shifts of the predicted adducts were calculated and agree well with the experimental observations. It is argued that the scenario issued from the calculated pathways is shown qualitatively to be independent from the functionals and basis set used, constitute a valuable tool in the understanding of chemical reactions taking place in liquid phase. PMID:27186961

  11. Picosecond time-resolved fluorescence study on solute-solvent interaction of 2-aminoquinoline in room-temperature ionic liquids: aromaticity of imidazolium-based ionic liquids.

    PubMed

    Iwata, Koichi; Kakita, Minoru; Hamaguchi, Hiro-o

    2007-05-10

    Time-resolved fluorescence spectra and fluorescence anisotropy decay of 2-aminoquinoline (2AQ) have been measured in eight room-temperature ionic liquids, including five imidazolium-based aromatic ionic liquids and three nonaromatic ionic liquids. The same experiments have also been carried out in several ordinary molecular liquids for comparison. The observed time-resolved fluorescence spectra indicate the formation of pi-pi aromatic complexes of 2AQ in some of the aromatic ionic liquids but not in the nonaromatic ionic liquids. The fluorescence anisotropy decay data show unusually slow rotational diffusion of 2AQ in the aromatic ionic liquids, suggesting the formation of solute-solvent complexes. The probe 2AQ molecule is likely to be incorporated in the possible local structure of ionic liquids, and hence the anisotropy decays only through the rotation of the whole local structure, making the apparent rotational diffusion of 2AQ slow. The rotational diffusion time decreases rapidly by adding a small amount of acetonitrile to the solution. This observation is interpreted in terms of the local structure formation in the aromatic ionic liquids and its destruction by acetonitrile. No unusual behavior upon addition of acetonitrile has been found for the nonaromatic ionic liquids. It is argued that the aromaticity of the imidazolium cation plays a key role in the local structure formation in imidazolium-based ionic liquids. PMID:17428083

  12. Chloride Transporting CLC Proteins1

    NASA Astrophysics Data System (ADS)

    Pusch, Michael

    In the early 1980s, Chris Miller and colleagues described a curious "double-barreled" chloride channel from the electric organ of Torpedo fish reconstituted in planar lipid bilayers (Miller and White, 1980). Single-channel openings occurred in "bursts" separated by long closures. A single burst was characterized by the presence of two open conductance levels of equal size and the gating (i.e., openings and closings) during a burst could be almost perfectly described as a superposition of two identical and independent conductances that switched between open and closed states with voltage-dependent rates α and β (Hanke and Miller, 1983) (Fig. 8.1).

  13. Oxomemazine hydro­chloride

    PubMed Central

    Siddegowda, M. S.; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Ramesh, A. R.

    2011-01-01

    In the title compound [systematic name: 3-(5,5-dioxo­phen­othia­zin-10-yl)-N,N,2-trimethyl­propanaminium chloride], C18H23N2O2S+·Cl−, the dihedral angle between the two outer aromatic rings of the phenothia­zine unit is 30.5 (2)°. In the crystal, the components are linked by N—H⋯Cl and C—H⋯Cl hydrogen bonds and C—H⋯π inter­actions. PMID:22090928

  14. [Sodium chloride 0.9%: nephrotoxic crystalloid?].

    PubMed

    Dombre, Vincent; De Seigneux, Sophie; Schiffer, Eduardo

    2016-02-01

    Sodium chloride 0.9%, often incorrectly called physiological saline, contains higher concentration of chloride compared to plasma. It is known that the administration of sodium chloride 0.9% can cause hyperchloremic metabolic acidosis in a reproducible manner. The elevated chloride concentration in 0.9% NaCl solution can also adversely affect renal perfusion. This effect is thought to be induced by hyperchloremia that causes renal artery vasoconstriction. For these reasons, the use of 0.9% NaCl solution is raising attention and some would advocate the use of a more "physiological" solution, such as balanced solutions that contain a level of chloride closer to that of plasma. Few prospective, randomized, controlled trials are available today and most were done in a perioperative setting. Some studies suggest that the chloride excess in 0.9% NaCl solution could have clinical consequences; however, this remains to be established by quality randomized controlled trials. PMID:26999998

  15. Production of anhydrous aluminum chloride composition

    DOEpatents

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

    1981-10-08

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

  16. Chloride transport in human red cells.

    PubMed Central

    Dalmark, M

    1975-01-01

    1. The chloride equilibrium flux (chloride self-exchange) was determined by measuring the rate of 36Cl efflux from radioactively labelled human red cells. The cellular chloride concentration was varied between 5 and 700 mM by the nystatin technique (Cass & Dalmark, 1973). The chloride transport capacity was not affected by the nystatin technique. 2. The chloride equilibrium flux showed saturation kinetics in the pH range between 6-2 and 9-2 (0 degrees C). The chloride transport decreased at chloride concentrations higher than those which gave the maximum transport. 3. The apparent half-saturation constant, (K1/2), depended on the pH and whether the chloride transport was perceived as a function of the chloride concentration in the medium or in the cell water. The (K1/2)m increased and the (K1/2)c decreased with increasing pH. The dependence of the chloride transport on the chloride concentration was described by Michaelis-Menten kinetics at pH 7-2, but at values of pH outside pH 7-8 S-shaped or steeper graphs were observed. 4. The chloride equilibrium flux varied with the pH at constant chloride concentration in the medium (pH 5-7-9-5). The transport had a bell-shaped pH dependence at chloride concentrations below 200 mM. At chloride concentrations between 300 and 600 mM the chloride transport increased with increasing pH to reach a plateau around pH 8. The position of the acidic branches of the pH graphs was independent of the chloride concentration (25-600 mM), but the position of the alkaline branches moved towards higher values of pH with increasing chloride concentration (5-150 mM). Thus, the position of the pH optimum increased with increasing chloride concentration. The chloride transport at low pH values was a function of the inverse second power of the hydrogen ion concentration. The pK of the groups which caused the inhibition was approximately 6 and independent of the temperature (0-18 degrees C). 5. The chloride equilibrium flux as a function of

  17. Indium-111 chloride imaging with ununited fractures

    SciTech Connect

    Sayle, B.A.; Fawcett, H.D.; Yudt, W.M.; Wang, S.C.; Mader, J.T.; Cierny, G. 3d.

    1987-03-01

    Twenty patients with ununited fractures and a suspicion of infection had In-111 chloride imaging. Surgically obtained cultures were positive for infection in 12 and negative in eight patients. In-111 chloride images were positive in all 12 patients with infection but also were positive in six of the patients with negative cultures. It is not possible to differentiate infected from noninfected ununited fractures by In-111 chloride imaging.

  18. Metal chloride cathode for a battery

    NASA Technical Reports Server (NTRS)

    Bugga, Ratnakumar V. (Inventor); Distefano, Salvador (Inventor); Bankston, C. Perry (Inventor)

    1991-01-01

    A method of fabricating a rechargeable battery is disclosed which includes a positive electrode which contains a chloride of a selected metal when the electrode is in its active state. The improvement comprises fabricating the positive electrode by: providing a porous matrix composed of a metal; providing a solution of the chloride of the selected metal; and impregnating the matrix with the chloride from the solution.

  19. Bis(1,3-dimethyl-1H-imidazolium) hexa-fluoro-silicate methanol 0.33-solvate.

    PubMed

    Tian, Chong; Nie, Wanli; Borzov, Maxim V

    2013-01-01

    The title compound, 6C5H9N2 (+)·3SiF6 (2-)·CH3OH, (I), was prepared by recrystallization of the crude salt from methanol along with solvent-free 2C5H9N2 (+)·SiF6 (2-) (II). Crystals of these solvatomorphs can be separated manually. The solvate (I) crystallizes in a rare hexa-gonal space group P6/mcc. Its asymmetric unit comprises one half of an imidazolium cation bis-ected by the crystallographic m-plane, one-sixth and one-twelfth of two crystallographically independent SiF6 (2-) dianions (Si atoms are located on the 3.2 and 6/m inversion centres), and one-twelfth of a methanol mol-ecule (C atoms are situated on the 622 inversion centres, other atoms are disordered between general positions). In (I), all F atoms of 3.2-located SiF6 (2-) dianions participate in the formation of symmetry-equivalent contacts to the H atoms of imidazolium fragments, thus forming rod-type ensembles positioned on the -6 axes. These 'pillar' rods are, in turn, F⋯H inter-linked through SiF6 (2-) dianions disordered around the 6/m centres. The twelvefold disordered methanol mol-ecules are appended to this array by O-H⋯F hydrogen bonds to the 6/m located SiF6 (2-) dianions. In terms of graph-set notation, the first and second level networks in (I) are N 1 = C 2 (2)(7)[3R 4 (4)(14)]D 2 (2)(4) and N 2 = D 2 (2)(5) (C-H⋯O hydrogen bonds are not considered). After locating all symmetrically independent atoms in the cation and anions, there remained a strong (> 3 e Å(-3)) residual electron density peak located at the 622 inversion centre. Treatment of this pre-refined model with the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148-155] revealed two voids per unit cell, indicative of the presence of the solvent methanol mol-ecule disordered about the 622 inversion centre. PMID:24109311

  20. Bis(1,3-dimethyl-1H-imidazolium) hexa­fluoro­silicate methanol 0.33-solvate

    PubMed Central

    Tian, Chong; Nie, Wanli; Borzov, Maxim V.

    2013-01-01

    The title compound, 6C5H9N2 +·3SiF6 2−·CH3OH, (I), was prepared by recrystallization of the crude salt from methanol along with solvent-free 2C5H9N2 +·SiF6 2− (II). Crystals of these solvatomorphs can be separated manually. The solvate (I) crystallizes in a rare hexa­gonal space group P6/mcc. Its asymmetric unit comprises one half of an imidazolium cation bis­ected by the crystallographic m-plane, one-sixth and one-twelfth of two crystallographically independent SiF6 2– dianions (Si atoms are located on the 3.2 and 6/m inversion centres), and one-twelfth of a methanol mol­ecule (C atoms are situated on the 622 inversion centres, other atoms are disordered between general positions). In (I), all F atoms of 3.2-located SiF6 2– dianions participate in the formation of symmetry-equivalent contacts to the H atoms of imidazolium fragments, thus forming rod-type ensembles positioned on the -6 axes. These ‘pillar’ rods are, in turn, F⋯H inter­linked through SiF6 2– dianions disordered around the 6/m centres. The twelvefold disordered methanol mol­ecules are appended to this array by O—H⋯F hydrogen bonds to the 6/m located SiF6 2– dianions. In terms of graph-set notation, the first and second level networks in (I) are N 1 = C 2 2(7)[3R 4 4(14)]D 2 2(4) and N 2 = D 2 2(5) (C—H⋯O hydrogen bonds are not considered). After locating all symmetrically independent atoms in the cation and anions, there remained a strong (> 3 e Å−3) residual electron density peak located at the 622 inversion centre. Treatment of this pre-refined model with the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148–155] revealed two voids per unit cell, indicative of the presence of the solvent methanol mol­ecule disordered about the 622 inversion centre. PMID:24109311

  1. Enrofloxacin hydro-chloride dihydrate.

    PubMed

    Miranda-Calderón, Jorge E; Gutiérrez, Lilia; Flores-Alamo, Marcos; García-Gutiérrez, Ponciano; Sumano, Héctor

    2014-04-01

    The asymmetric unit of the title compound, C19H23FN3O3 (+)·Cl(-)·2H2O [systematic name: 4-(3-carb-oxy-1-cyclo-propyl-6-fluoro-4-oxo-1,4-di-hydro-quin-o-lin-7-yl)-1-ethyl-piperazin-1-ium chloride dihydrate], consists of two independent monocations of the protonated enrofloxacin, two chloride anions and four water mol-ecules. In the cations, the piperazinium rings adopt chair conformations and the dihedral angles between the cyclo-propyl ring and the 10-membered quinoline ring system are 56.55 (2) and 51.11 (2)°. An intra-molecular O-H⋯O hydrogen bond is observed in each cation. In the crystal, the components are connected via O-H⋯Cl, N-H⋯Cl and O-H⋯O hydrogen bonds, and a π-π inter-action between the benzene rings [centroid-centroid distance = 3.6726 (13) Å], resulting in a three-dimensional array. PMID:24826167

  2. Irreversible gettering of thionyl chloride

    SciTech Connect

    LeRoy Whinnery; Steve Goods; George Buffleben; Tim Sheppodd

    1999-11-01

    The authors have successfully demonstrated the irreversible gettering of SOCl{sub 2} by ZnO/ASZMTEDA carbon over a modest temperature range. While thionyl chloride decomposition was slow below {minus}20 C, lower temperatures are expected to be less of a problem than at higher temperatures. The approximately 30 cc of thionyl chloride in a typical D-cell would require 50 g of ZnO and 107 g of ASZMTEDA carbon. Fortunately, since it is unlikely to happen at all, it is common practice to assume only one cell will fail (leak) in a given battery pack. So, one charge of getter can protect the whole battery pack. In summary, ZnO/ASZMTEDA carbon fulfills all of the requirements of an ideal getter including: irreversible binding or reaction with SOCl{sub 2}, high volumetric uptake capacity, high efficiency, non-volatile, air stable, insensitive to poisoning, non-toxic, cheap, non-corrosive, and the gettering product is not a liquid or oil that could block further flow or accessibility. Future work in this area includes incorporation of the ZnO and carbon into a structural open-celled porous monolith, as well as, gettering for other types of batteries (e.g., Li/MnO{sub 2}).

  3. Arsenic removal by ferric chloride

    SciTech Connect

    Hering, J.G.; Chen, P.Y.; Wilkie, J.A.; Elimelech, M.; Liang, S.

    1996-04-01

    Bench-scale studies were conducted in model freshwater systems to investigate how various parameters affected arsenic removal during coagulation with ferric chloride and arsenic adsorption onto preformed hydrous ferric oxide. Parameters included arsenic oxidation state and initial concentration, coagulant dosage or adsorbent concentration, pH, and the presence of co-occurring inorganic solutes. Comparison of coagulation and adsorption experiments and of experimental results with predictions based on surface complexation modeling demonstrated that adsorption is an important (though not the sole) mechanism governing arsenic removal during coagulation. Under comparable conditions, better removal was observed with arsenic(V) [As(V)] than with arsenic(III) [As(III)] in both coagulation and adsorption experiments. Below neutral pH values, As(III) removal-adsorption was significantly decreased in the presence of sulfate, whereas only a slight decrease in As(V) removal-adsorption was observed. At high pH, removal-adsorption of As(V) was increased in the presence of calcium. Removal of As(V) during coagulation with ferric chloride is both more efficient and less sensitive than that of As(III) to variations in source water composition.

  4. Production of chlorine from chloride salts

    DOEpatents

    Rohrmann, Charles A.

    1981-01-01

    A process for converting chloride salts and sulfuric acid to sulfate salts and elemental chlorine is disclosed. A chloride salt and sulfuric acid are combined in a furnace where they react to produce a sulfate salt and hydrogen chloride. Hydrogen chloride from the furnace contacts a molten salt mixture containing an oxygen compound of vanadium, an alkali metal sulfate and an alkali metal pyrosulfate to recover elemental chlorine. In the absence of an oxygen-bearing gas during the contacting, the vanadium is reduced, but is regenerated to its active higher valence state by separately contacting the molten salt mixture with an oxygen-bearing gas.

  5. Chloride ingress in cement paste and mortar

    SciTech Connect

    Jensen, O.M.; Hansen, P.F.; Coats, A.M.; Glasser, F.P.

    1999-09-01

    In this paper chloride ingress in cement paste and mortar is followed by electron probe microanalysis. The influence of several paste and exposure parameters on chloride ingress are examined (e.g., water-cement ratio, silica fume addition, exposure time, and temperature). The measurements are modelled on Fick's law modified by a term for chloride binding. Inclusion of chloride binding significantly improves the profile shape of the modelled ingress profiles. The presence of fine aggregate and formation of interfacial transition zones at paste-aggregate boundaries does not significantly affect diffusion rates.

  6. Fabrication Of Metal Chloride Cathodes By Sintering

    NASA Technical Reports Server (NTRS)

    Bugga, Ratnakumar V.; Di Stefano, Salvador; Bankston, C. Perry

    1992-01-01

    Transition-metal chloride cathodes for use in high-temperature rechargeable sodium batteries prepared by sintering transition-metal powders mixed with sodium chloride. Need for difficult and dangerous chlorination process eliminated. Proportions of transition metal and sodium chloride in mixture adjusted to suit specific requirements. Cathodes integral to sodium/metal-chloride batteries, which have advantages over sodium/sulfur batteries including energy densities, increased safety, reduced material and thermal-management problems, and ease of operation and assembly. Being evaluated for supplying electrical power during peak demand and electric vehicles.

  7. Chloride substitution in sodium borohydride

    SciTech Connect

    Ravnsbaek, Dorthe B.; Rude, Line H.; Jensen, Torben R.

    2011-07-15

    The dissolution of sodium chloride and sodium borohydride into each other resulting in formation of solid solutions of composition Na(BH{sub 4}){sub 1-x}Cl{sub x} is studied. The dissolution reaction is facilitated by two methods: ball milling or combination of ball milling and annealing at 300 deg. C for three days of NaBH{sub 4}-NaCl samples in molar ratios of 0.5:0.5 and 0.75:0.25. The degree of dissolution is studied by Rietveld refinement of synchrotron radiation powder X-ray diffraction (SR-PXD) data. The results show that dissolution of 10 mol% NaCl into NaBH{sub 4}, forming Na(BH{sub 4}){sub 0.9}Cl{sub 0.1}, takes place during ball milling. A higher degree of dissolution of NaCl in NaBH{sub 4} is obtained by annealing resulting in solid solutions containing up to 57 mol% NaCl, i.e. Na(BH{sub 4}){sub 0.43}Cl{sub 0.57}. In addition, annealing results in dissolution of 10-20 mol% NaBH{sub 4} into NaCl. The mechanism of the dissolution during annealing and the decomposition pathway of the solid solutions are studied by in situ SR-PXD. Furthermore, the stability upon hydrogen release and uptake were studied by Sieverts measurements. - Graphical Abstract: Dissolution of sodium chloride and sodium borohydride into each other resulting in formation of solid solutions of composition Na(BH{sub 4}){sub 1-x}Cl{sub x} is studied. Dissolution is facilitated by two methods: ball milling or annealing at 300 deg. C for three days of NaBH{sub 4}-NaCl samples. Sample compositions and dissolution mechanism are studied by Rietveld refinement of synchrotron radiation powder X-ray diffraction data. Highlights: > Studies of dissolution of sodium chloride and sodium borohydride into each other. > Solid state diffusion facilitated by mechanical and thermal treatments. > Dissolution is more efficiently induced by heating than by mechanical treatment. > Mechanism for dissolution studied by Rietveld refinement of in situ SR-PXD data.

  8. Fabrication of optical element from unidirectional grown imidazole-imidazolium picrate monohydrate (IIP) organic crystals for nonlinear optical applications

    NASA Astrophysics Data System (ADS)

    Vivek, P.; Murugakoothan, P.

    2014-12-01

    Nonlinear optical bulk single crystal of Imidazole-imidazolium picrate monohydrate (IIP) has been grown by Sankaranarayanan-Ramasamy (SR) method using acetonitrile as solvent. First time we report the bulk growth of IIP crystal by SR method. The transparent IIP single crystal of maximum diameter 21 mm and length 46 mm was obtained by employing SR method. The grown crystal was subjected to high resolution X-ray diffraction, UV-vis-NIR transmittance, refractive index, hardness, dielectric and laser damage threshold studies. The crystalline perfection of the grown crystal was analyzed using HRXRD. Cut off wavelength and optical transmission window of the crystal was assessed by UV-vis-NIR and the refractive index of the crystal was found. The mechanical property of the crystal was estimated by Vicker's hardness test. The dielectric property of the crystal was measured as a function of frequency. The laser damage threshold value was determined. The particle size dependent second harmonic generation efficiency for IIP was evaluated with standard reference material potassium dihydrogen phosphate (KDP) by Kurtz-Perry powder method using Nd:YAG laser, which established the existence of phase matching. The second harmonic generation (SHG) of IIP crystal was investigated by the SHG Maker fringes technique. The mechanism of growth is revealed by carrying out chemical etching using acetonitrile as etchant.

  9. Effects of alkyl-imidazolium ionic liquid [Omim]Cl on the functional diversity of soil microbial communities.

    PubMed

    Guo, Pengpeng; Zhu, Lusheng; Wang, Jinhua; Wang, Jun; Liu, Tong

    2015-06-01

    As low-temperature molten salts, ionic liquids (ILs) were considered to be "green" solvents and have begun to see large-scale applications in the chemical reactions, in separation processes, in electrochemistry studies, etc. In recent years, the toxicity of ILs has started to draw attention. To evaluate the effects of the ionic liquid [Omim]Cl on indigenous microbial community in soil, Biolog-ECO plate method were used with the addition of four different concentrations of [Omim]Cl after four different incubation periods (7, 14, 21, 28 days). The present results showed that the average well color development (AWCD) was strongly activated when the soil was contaminated with [Omim]Cl in the early stages of the incubation. However, the activation effect disappeared with extended incubation time. Therefore, the toxic effects of the alkyl-imidazolium ionic liquid ([Omim]Cl) on the functional diversity of soil microbial communities may be reversible. In addition, the kinetic characteristics of microorganisms that used different categories of carbon sources indicated that phenolic compounds were the main C source in the sample soil. PMID:25572271

  10. Local structure formation in alkyl-imidazolium-based ionic liquids as revealed by linear and nonlinear Raman spectroscopy.

    PubMed

    Iwata, Koichi; Okajima, Hajime; Saha, Satyen; Hamaguchi, Hiro-O

    2007-11-01

    We show several pieces of Raman spectroscopic evidence that are indicative of local structure formation in imidazolium-based ionic liquids. Low-frequency Raman spectra of C n mimX, where C n mim stands for 1-alkyl(C n H 2 n+1 )-3-methylimidazolium cation and X represents the anion, exhibit broad bands assignable to collective modes of local structures. Spatial distributions of coherent anti-Stokes Raman scattering (CARS) signals from C n mim[PF 6] are consistent with local structures whose size increases with increasing n. Picosecond Raman spectra of S 1 trans-stilbene as a "picosecond Raman thermometer" show microscopic thermal inhomogeneity ascribable to local structure formation in C 2mimTf 2N and C 4mimTf 2N. We also describe two novel phenomena that we believe are relevant to extraordinary nanoenvironments generated by local structures in a magnetic ionic liquid C 4mim[FeCl 4]. PMID:17963358

  11. High carbon dioxide solubilities in imidazolium-based ionic liquids and in poly(ethylene glycol) dimethyl ether.

    PubMed

    Revelli, Anne-Laure; Mutelet, Fabrice; Jaubert, Jean-Noël

    2010-10-14

    This work is focused on the possible capture of carbon dioxide using ionic liquids (ILs). Such solvents are gaining special attention because the efficiency of many processes can be enhanced by the judicious manipulation of their properties. The absorption of greenhouse gases can be enhanced by the basic character of the IL. In this work, these characteristics are evaluated through the study of the gas-liquid equilibrium of four imidazolium-based ILs: 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF(4)], 1-butyl-3-methylimidazolium thiocyanate [BMIM][SCN], 1,3-dimethylimidazolium methylphosphonate [DMIM][MP], and 1,3-diethoxyimidazolium bis(trifluoromethylsulfonyl)imide [(ETO)(2)IM][Tf(2)N] with CO(2) at temperatures up to 373 K and pressures up to 300 bar. Solubility of carbon dioxide in poly(ethylene glycol) dimethyl ether, component of selexol, was also measured to evaluate the capture's efficiency of ionic liquids. Experimental data indicate that 67 to 123 g of CO(2) can be absorbed per kg of ionic liquid and 198 g per kg of poly(ethylene glycol) dimethyl ether. PMID:20853857

  12. Sputtering-deposition of Ru nanoparticles onto Al2O3 modified with imidazolium ionic liquids: synthesis, characterisation and catalysis.

    PubMed

    Foppa, Lucas; Luza, Leandro; Gual, Aitor; Weibel, Daniel E; Eberhardt, Dario; Teixeira, Sérgio R; Dupont, Jairton

    2015-02-14

    Well-distributed Ru nanoparticles (Ru-NPs) were produced over Al(2)O(3) supports modified with covalently anchored imidazolium ionic liquids (ILs) containing different anions and cation lateral alkyl chain lengths by simple sputtering from a Ru foil. These Ru-NPs were active catalysts for the hydrogenation of benzene. Furthermore, depending on the nature of the IL used to modify the support (hydrophilic or hydrophobic), different catalytic behaviours were observed. Turnover numbers (TON) as high as 27 000 with a turnover frequency (TOF) of 2.73 s(-1) were achieved with Ru-NPs of 6.4 nm supported in Al(2)O(3) modified with an IL containing the N(SO(2)CF(3))2(-) anion, whereas higher initial cyclohexene selectivities (ca. 20% at 1% benzene conversion) were attained for Ru-NPs of 6.6 nm in the case where Cl(-) and BF(4)(-) anions were used. Such observations strongly suggest that thin layers of ILs surround the NP surface, modifying the reactivity of these catalytic systems. These findings open a new window of opportunity in the development of size-controlled Ru-NPs with tuneable reactivity. PMID:25531917

  13. An abnormal N-heterocyclic carbene-carbon dioxide adduct from imidazolium acetate ionic liquids: the importance of basicity.

    PubMed

    Kelemen, Zsolt; Péter-Szabó, Barbara; Székely, Edit; Hollóczki, Oldamur; Firaha, Dzmitry S; Kirchner, Barbara; Nagy, József; Nyulászi, László

    2014-09-26

    In the reaction of 1-ethyl-3-methylimidazolium acetate [C2C1Im][OAc] ionic liquid with carbon dioxide at 125 °C and 10 MPa, not only the known N-heterocyclic carbene (NHC)-CO2 adduct I, but also isomeric aNHC-CO2 adducts II and III were obtained. The abnormal NHC-CO2 adducts are stabilized by the presence of the polarizing basic acetate anion, according to static DFT calculations and ab initio molecular dynamics studies. A further possible reaction pathway is facilitated by the high basicity of the system, deprotonating the initially formed NHC-CO2 adduct I, which can then be converted in the presence of the excess of CO2 to the more stable 2-deprotonated anionic abnormal NHC-CO2 adduct via the anionic imidazolium-2,4-dicarboxylate according to DFT calculations on model compounds. This suggests a generalizable pathway to abnormal NHC complex formation. PMID:25137312

  14. Free volume model for the unexpected effect of C2-methylation on the properties of imidazolium ionic liquids.

    PubMed

    Chen, Zheng Jian; Lee, Jong-Min

    2014-03-13

    For 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imides and their cationic C2-methylated isomers, that is, [C(n)MIm]NTf2 and [C(n-1)DMIm]NTf2 (n = 3-8), the latter always has much higher viscosities (∼1.66 times at 25 °C) than the former. This finding is unexpected and contrary to the loss of the predominant hydrogen bonding between the cation and anion, caused by the C2-methylation in the imidazolium ionic liquids. In the present study, we propose a free volume model to explain this mysterious phenomenon. For the isomeric pairs, [C(n-1)DMIm]NTf2 was found to possess less unoccupied (free) volume than [C(n)MIm]NTf2 by ∼4.5 mL mol(-1) determined by both Fürth's surface tension and molar volume methods, and the free volume difference can be quantitatively correlated with the C2-methylation effect on viscosity. Generally, the less free volume in [C(n-1)DMIm]NTf2 relative to [C(n)MIm]NTf2 reduces the number of the hole carriers for molecular transport with a resulting increase in viscosity. Besides, the free volume model can also be applied to account for the C2-methylation effect on other properties, such as conductivity, surface tension, density, and refractive index. PMID:24576309

  15. Tribological properties of self-assembled monolayers of catecholic imidazolium and the spin-coated films of ionic liquids.

    PubMed

    Liu, Jianxi; Li, Jinlong; Yu, Bo; Ma, Baodong; Zhu, Yangwen; Song, Xinwang; Cao, Xulong; Yang, Wu; Zhou, Feng

    2011-09-20

    A novel compound of an imidazolium type of ionic liquid (IL) containing a biomimetic catecholic functional group normally seen in mussel adhesive proteins was synthesized. The IL can be immobilized on a silicon surface and a variety of other engineering material surfaces via the catecholic anchor, allowing the tribological protection of these substrates for engineering applications. The surface wetting and adhesive properties and the tribological property of the synthesized self-assembled monolayers (SAMs) are successfully modulated by altering the counteranions. The chemical composition and wettability of the IL SAMs were characterized by means of X-ray photoelectron spectroscopy (XPS) and contact angle (CA) measurements. The adhesive and friction forces were measured with an atomic force microscope (AFM) on the nanometer scale. IL composite films were prepared by spin coating thin IL films on top of the SAMs. The macrotribological properties of these IL composite films were investigated with a pin-on-disk tribometer. The results indicate that the presence of IL SAMs on a surface can improve the wettability of spin-coated ionic liquids and thus the film quality and the tribological properties. These films registered a reduced friction coefficient and a significantly enhanced durability and load-carrying capacity. The tribological properties of the composite films are better than those of pure IL films because the presence of the monolayers improves the adhesion and compatibility of spin-coated IL films with substrates. PMID:21834561

  16. Water-in-ionic liquid microemulsion formation in solvent mixture of aprotic and protic imidazolium-based ionic liquids.

    PubMed

    Kusano, Takumi; Fujii, Kenta; Hashimoto, Kei; Shibayama, Mitsuhiro

    2014-10-14

    We report that water-in-ionic liquid microemulsions (MEs) are stably formed in an organic solvent-free system, i.e., a mixture of aprotic (aIL) and protic (pIL) imidazolium-based ionic liquids (ILs) containing the anionic surfactant dioctyl sulfosuccinate sodium salt (AOT). Structural investigations using dynamic light, small-angle X-ray, and small-angle neutron scatterings were performed for MEs formed in mixtures of aprotic 1-octyl-3-methylimidazolium ([C8mIm(+)]) and protic 1-alkylimidazolium ([CnImH(+)], n = 4 or 8) IL with a common anion, bis(trifluoromethanesulfonyl)amide ([TFSA(-)]). It was found that the ME structure strongly depends on the mixing composition of the aIL/pIL in the medium. The ME size appreciably increases with increasing pIL content in both [C8mIm(+)][TFSA(-)]/[C8ImH(+)][TFSA(-)] and [C8mIm(+)][TFSA(-)]/[C4ImH(+)][TFSA(-)] mixtures. The size is larger for the n = 8 system than that for the n = 4 system. These results indicate that the shell part of MEs is composed of both AOT and pIL cation, and the ME size can be tuned by pIL content in the aIL/pIL mixtures. PMID:25226398

  17. Effects of imidazolium-based ionic surfactants on the size and dynamics of phosphatidylcholine bilayers with saturated and unsaturated chains.

    PubMed

    Lee, Hwankyu

    2015-07-01

    Imidazolium-based ionic surfactants of different sizes were simulated with 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) bilayers. Regardless of the phospholipid type, larger surfactants at higher concentrations more significantly insert into the bilayer and increase the bilayer-surface size, in agreement with experiments and previous simulations. Insertion of surfactants only slightly decreases the bilayer thickness, as also observed in experiments. Although the surfactant insertion and its effect on the bilayer size and thickness are similar in different types of bilayers, the volume fractions of surfactants in the bilayer are higher for DMPC bilayers than for POPC and DOPC bilayers. In particular, ionic surfactants with four hydrocarbons yield their volume fractions of 4.6% and 8.7%, respectively, in POPC and DMPC bilayers, in quantitative agreement with experimental values of ∼5% and ∼10%. Also, the inserted surfactants increase the lateral diffusivity of the bilayer, which depends on the bilayer type. These findings indicate that although the surfactant insertion does not depend on the bilayer type, the effects of surfactants on the volume fraction and bilayer dynamics occur more significantly in the DMPC bilayer because of the smaller area per lipid and shorter saturated tails, which helps explain the experimental observations regarding different volume fractions of surfactants in POPC and DMPC bilayers. PMID:26055631

  18. Effectiveness and potential of straw- and wood-based biochars for adsorption of imidazolium-type ionic liquids.

    PubMed

    Shi, Kaishun; Qiu, Yuping; Ben Li; Stenstrom, Michael K

    2016-08-01

    The growing industrial application of imidazolium-type ionic liquids (ITILs) is likely to result in their release to the environment. Water-soluble ITILs are difficult to remove from wastewaters using traditional adsorbents. In this work, we developed different biochars derived from straw and wood (named as SBB and WBB, respectively) to improve the adsorption effectiveness for removal of ITILs from wastewaters. SBB had high O/C element ratio (0.143), while WBB had high ratio of Vmicro/Vtotal (61.5%) compared with commercial activated carbon (AC). Both of them showed greater adsorption of ITILs than AC with different adsorption mechanisms. FTIR spectra revealed that electrostatic interactions were the dominant driving force in SBB adsorption, while high micropore volume promoted adsorption in WBB. The adsorption of [C2mim][BF4] on SBB and WBB was strongly enhanced by trivalent PO4(3-) anions, suggesting that PO4(3-) anions could be used as promoter to increase the removal efficiency of ITILs from wastewater. Using HCl solution (pH=0.5) as regenerant, SBB and WBB were regenerated with nearly 100% recovery of adsorption capacity over ten consecutive adsorption-desorption cycles. Straw-based biochar and wood-based biochar are efficient sorbents for removal of water-soluble ionic liquids from aqueous solutions. PMID:27107176

  19. Correlation between Soft X-ray Absorption and Emission Spectra of the Nitrogen Atoms within Imidazolium-Based Ionic Liquids.

    PubMed

    Horikawa, Yuka; Tokushima, Takashi; Takahashi, Osamu; Hoke, Hiroshi; Takamuku, Toshiyuki

    2016-08-01

    Soft X-ray absorption spectroscopy (XAS) has been performed on the N K-edge of two imidazolium-based ionic liquids (ILs), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([C2mim][TFSA]) and 1-ethyl-3-methylimidazolium bromide ([C2mim][Br]), to clarify the electronic structures of the ILs. Soft X-ray emission spectroscopy (XES) has also been applied to the ILs by excitation at various X-ray energies according to the XAS spectra. It was possible to fully associate the XAS peaks with the XES peaks. Additionally, both XAS and XES spectra of the ILs were well reproduced by the theoretical spectra for a single-molecule model on [C2mim](+) and [TFSA](-) using density functional theory. The assignments for the XAS and XES peaks of the ILs were accomplished from both experimental and theoretical approaches. The theoretical XAS and XES spectra of [C2mim](+) and [TFSA](-) did not significantly depend on the conformations of the ions. The reproducibility of the theoretical spectra for the single-molecule model suggested that the interactions between the cations and anions are very weak in the ILs, thus scarcely influencing the electronic structures of the nitrogen atoms. PMID:27388151

  20. Effect of alkyl chain length and hydroxyl group functionalization on the surface properties of imidazolium ionic liquids.

    PubMed

    Pensado, Alfonso S; Costa Gomes, Margarida F; Canongia Lopes, José N; Malfreyt, Patrice; Pádua, Agílio A H

    2011-08-14

    Properties of the surface of ionic liquids, such as surface tension, ordering, and charge and density profiles, were studied using molecular simulation. Two types of modification in the molecular structure of imidazolium cations were studied: the length of the alkyl side chain and the presence of a polar hydroxyl group at the end of the side chain. Four ionic liquids were considered: 1-ethyl-3-methylimidazolium tetrafluoroborate, [C(2)C(1)im][BF(4)]; 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate, [C(2)OHC(1)im][BF(4)]; 1-octyl-3-methylimidazolium tetrafluoroborate, [C(8)C(1)im][BF(4)] and 1-(8-hydroxyoctyl)-3-methylimidazolium tetrafluoroborate, [C(8)OHC(1)im][BF(4)]. The surface tension was calculated using both mechanical and thermodynamic definitions, with consistent treatment of the long-range corrections. The simulations reproduce the available experimental values of surface tension with a maximum deviation of ±10%. This energetic characterization of the interface is completed by microscopic structural analysis of orientational ordering at the interface and density profiles along the direction normal to the interface. The presence of the hydroxyl group modifies the local structure at the interface, leading to a less organized liquid phase. The results allow us to relate the surface tension to the structural ordering at the liquid-vacuum interface. PMID:21643581

  1. Biomedical Exploitation of Chitin and Chitosan via Mechano-Chemical Disassembly, Electrospinning, Dissolution in Imidazolium Ionic Liquids, and Supercritical Drying

    PubMed Central

    Muzzarelli, Riccardo A. A.

    2011-01-01

    Recently developed technology permits to optimize simultaneously surface area, porosity, density, rigidity and surface morphology of chitin-derived materials of biomedical interest. Safe and ecofriendly disassembly of chitin has superseded the dangerous acid hydrolysis and provides higher yields and scaling-up possibilities: the chitosan nanofibrils are finding applications in reinforced bone scaffolds and composite dressings for dermal wounds. Electrospun chitosan nanofibers, in the form of biocompatible thin mats and non-wovens, are being actively studied: composites of gelatin + chitosan + polyurethane have been proposed for cardiac valves and for nerve conduits; fibers are also manufactured from electrospun particles that self-assemble during subsequent freeze-drying. Ionic liquids (salts of alkylated imidazolium) are suitable as non-aqueous solvents that permit desirable reactions to occur for drug delivery purposes. Gel drying with supercritical CO2 leads to structures most similar to the extracellular matrix, even when the chitosan is crosslinked, or in combination with metal oxides of interest in orthopedics. PMID:22131955

  2. Self-assembled thin film of imidazolium ionic liquid on a silicon surface: Low friction and remarkable wear-resistivity

    NASA Astrophysics Data System (ADS)

    Gusain, Rashi; Kokufu, Sho; Bakshi, Paramjeet S.; Utsunomiya, Toru; Ichii, Takashi; Sugimura, Hiroyuki; Khatri, Om P.

    2016-02-01

    Imidazolium-hexafluorophosphate (ImPF6) ionic liquid thin film is prepared on a silicon surface using 3-chloropropyltrimethoxysilane as a bifunctional chemical linker. XPS result revealed the covalent grafting of ImPF6 thin film on a silicon surface. The atomic force microscopic images demonstrated that the ImPF6 thin film is composed of nanoscopic pads/clusters with height of 3-7 nm. Microtribological properties in terms of coefficient of friction and wear-resistivity are probed at the mean Hertzian contact pressure of 0.35-0.6 GPa under the rotational sliding contact. The ImPF6 thin film exhibited low and steady coefficient of friction (μ = 0.11) along with remarkable wear-resistivity to protect the underlying silicon substrate. The low shear strength of ImPF6 thin film, the covalent interaction between ImPF6 ionic liquid thin film and underlying silicon substrate, and its regular grafting collectively reduced the friction and improved the anti-wear property. The covalently grafted ionic liquid thin film further shows immense potential to expand the durability and lifetime of M/NEMS based devices with significant reduction of the friction.

  3. Imidazolium Ionic Liquid Functionalized Carbon Nanotubes for Improved Interfacial Charge Transfer and Simultaneous Determination of Dihydroxybenzene Isomers.

    PubMed

    Wei, Huan; Wu, Xiao-Shuai; Wen, Guo-Yun; Qiao, Yan

    2016-01-01

    In this paper; an imidazolium ionic liquid (IL) is used to functionalize multi-walled carbon nanotubes (MWNTs) by covalent bonding on the MWNT surface. The functionalization not only provides a hydrophilic surface for ion accessibility but also prevents the aggregation of MWNTs. The IL-functionalized MWNTs were then applied for the electrochemical determination of the dihydroxybenzene isomers hydroquinone (HQ); catechol (CC); and resorcinol (RC), exhibiting excellent recognition ability towards the three compounds. The linear calibration ranges for HQ; CC and RC are 0.9-150 μM; 0.9-150 μM and 1.9-145 μM and the detection limits are found to be 0.15 μM for HQ; 0.10 μM for CC and 0.38 μM for RC based on S/N of 3. The proposed electrochemical sensor was also found to be useful for the determination of the dihydroxybenzene isomers in Yellow River water with reliable recovery. PMID:27187344

  4. Glutamate-gated Chloride Channels*

    PubMed Central

    Wolstenholme, Adrian J.

    2012-01-01

    Glutamate-gated chloride channels (GluCls) are found only in protostome invertebrate phyla but are closely related to mammalian glycine receptors. They have a number of roles in these animals, controlling locomotion and feeding and mediating sensory inputs into behavior. In nematodes and arthropods, they are targeted by the macrocyclic lactone family of anthelmintics and pesticides, making the GluCls of considerable medical and economic importance. Recently, the three-dimensional structure of a GluCl was solved, the first for any eukaryotic ligand-gated anion channel, revealing a macrocyclic lactone-binding site between the channel domains of adjacent subunits. This minireview will highlight some unique features of the GluCls and illustrate their contribution to our knowledge of the entire Cys loop ligand-gated ion channel superfamily. PMID:23038250

  5. Chloride ion pairs in water

    SciTech Connect

    Dang, L.X.; Pettitt, B.M.

    1987-09-02

    The study of ions in water by statistical mechanical methods has made a significant contribution to the authors understanding of solution chemistry and biological processes in saline solutions. Integral equation methods have been used recently by Pettitt and Rossky to study solvent-averaged forces and the effective interactions or the potentials of mean force (PMF) for the alkali halides in water at infinite dilution. In this communication, they report a quantitative study of the Cl/sup -/-Cl/sup -/ PMF in water with use of an umbrella sampling method and the same Hamiltonian as that used in the integral equation study. The system studied here consists of two chloride ions and 295 water molecules in a rectangular box with periodic boundary conditions and lengths of 25.4, 18.6, and 18.6 A in the x,y,z directions, respectively.

  6. Sodium-metal chloride batteries

    NASA Technical Reports Server (NTRS)

    Ratnakumar, B. V.; Attia, A. I.; Halpert, G.

    1992-01-01

    It was concluded that rapid development in the technology of sodium metal chloride batteries has been achieved in the last decade mainly due to the: expertise available with sodium sulfur system; safety; and flexibility in design and fabrication. Long cycle lives of over 1000 and high energy densities of approx. 100 Wh/kg have been demonstrated in both Na/FeCl2 and Na/NiCl2 cells. Optimization of porous cathode and solid electrolyte geometries are essential for further enhancing the battery performance. Fundamental studies confirm the capabilities of these systems. Nickel dichloride emerges as the candidate cathode material for high power density applications such as electric vehicle and space.

  7. 29 CFR 1910.1052 - Methylene Chloride.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 6 2012-07-01 2012-07-01 false Methylene Chloride. 1910.1052 Section 1910.1052 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) OCCUPATIONAL SAFETY AND HEALTH STANDARDS (CONTINUED) Toxic and Hazardous Substances § 1910.1052 Methylene Chloride. This...

  8. 29 CFR 1910.1017 - Vinyl chloride.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 6 2012-07-01 2012-07-01 false Vinyl chloride. 1910.1017 Section 1910.1017 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) OCCUPATIONAL SAFETY AND HEALTH STANDARDS (CONTINUED) Toxic and Hazardous Substances § 1910.1017 Vinyl chloride. (a) Scope and...

  9. 29 CFR 1915.1017 - Vinyl chloride.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 7 2011-07-01 2011-07-01 false Vinyl chloride. 1915.1017 Section 1915.1017 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... § 1915.1017 Vinyl chloride. Note: The requirements applicable to shipyard employment under this...

  10. 29 CFR 1926.1117 - Vinyl chloride.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 8 2013-07-01 2013-07-01 false Vinyl chloride. 1926.1117 Section 1926.1117 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1117 Vinyl chloride. Note: The requirements applicable to construction work under this section are identical to...

  11. 29 CFR 1915.1017 - Vinyl chloride.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 7 2010-07-01 2010-07-01 false Vinyl chloride. 1915.1017 Section 1915.1017 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... § 1915.1017 Vinyl chloride. Note: The requirements applicable to shipyard employment under this...

  12. 29 CFR 1926.1117 - Vinyl chloride.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 8 2010-07-01 2010-07-01 false Vinyl chloride. 1926.1117 Section 1926.1117 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1117 Vinyl chloride. Note: The requirements applicable to construction work under this section are identical to...

  13. 29 CFR 1926.1117 - Vinyl chloride.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 8 2011-07-01 2011-07-01 false Vinyl chloride. 1926.1117 Section 1926.1117 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1117 Vinyl chloride. Note: The requirements applicable to construction work under this section are identical to...

  14. 29 CFR 1915.1017 - Vinyl chloride.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 7 2012-07-01 2012-07-01 false Vinyl chloride. 1915.1017 Section 1915.1017 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... § 1915.1017 Vinyl chloride. Note: The requirements applicable to shipyard employment under this...

  15. 29 CFR 1915.1017 - Vinyl chloride.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 7 2013-07-01 2013-07-01 false Vinyl chloride. 1915.1017 Section 1915.1017 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... § 1915.1017 Vinyl chloride. Note: The requirements applicable to shipyard employment under this...

  16. 29 CFR 1926.1117 - Vinyl chloride.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 8 2014-07-01 2014-07-01 false Vinyl chloride. 1926.1117 Section 1926.1117 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1117 Vinyl chloride. Note: The requirements applicable to construction work under this section are identical to...

  17. 29 CFR 1915.1017 - Vinyl chloride.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 7 2014-07-01 2014-07-01 false Vinyl chloride. 1915.1017 Section 1915.1017 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... § 1915.1017 Vinyl chloride. Note: The requirements applicable to shipyard employment under this...

  18. 29 CFR 1926.1117 - Vinyl chloride.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 8 2012-07-01 2012-07-01 false Vinyl chloride. 1926.1117 Section 1926.1117 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1117 Vinyl chloride. Note: The requirements applicable to construction work under this section are identical to...

  19. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Magnesium chloride. 184.1426 Section 184.1426 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS § 184.1426 Magnesium chloride. (a)...

  20. 21 CFR 582.5446 - Manganese chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Manganese chloride. 582.5446 Section 582.5446 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients and/or Dietary Supplements 1 § 582.5446 Manganese chloride....

  1. 21 CFR 582.5252 - Choline chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Choline chloride. 582.5252 Section 582.5252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients and/or Dietary Supplements 1 § 582.5252 Choline chloride....

  2. Process for synthesis of beryllium chloride dietherate

    DOEpatents

    Bergeron, Charles; Bullard, John E.; Morgan, Evan

    1991-01-01

    A low temperature method of producing beryllium chloride dietherate through the addition of hydrogen chloride gas to a mixture of beryllium metal in ether in a reaction vessel is described. A reflux condenser provides an exit for hydrogen produced form the reaction. A distillation condenser later replaces the reflux condenser for purifying the resultant product.

  3. Fiber-optic chloride sensor development

    SciTech Connect

    Cosentino, P.; Grossman, B.; Shieh, C.; Doi, S.; Xi, H.; Erbland, P.

    1995-08-01

    Chloride in the form of salt water is a major contaminant of ground water, percolating through landfill liners and causing corrosion of steel. Four fiber-optic sensors capable of detecting chloride concentrations were developed. The most promising sensor detects chloride concentrations from 100 {micro}g/mL to greater than 3,000 {micro}g/mL. This sensor works when the chloride changes a reddish-brown silver chromate strip to white silver chloride. The color change causes the intensity of light propagating through the fiber to increase. The increase is monitored, and a calibration curve depicting light intensity versus chloride concentration results. The most promising sensor was multiplexed to determine the diffusion coefficients of chloride in a saturated sand column. The development, operation, and sensitivity of the sensors are described. Upon further development the sensor could be placed in the soil or in reinforced concrete for insitu monitoring of chloride. The sensor`s advantages over electronic sensors include immunity to corrosion and electromagnetic interference, and the ability for multiplexing sensors onto a single fiber.

  4. Hydrocracking with molten zinc chloride catalyst containing 2-12% ferrous chloride

    DOEpatents

    Zielke, Clyde W.; Bagshaw, Gary H.

    1981-01-01

    In a process for hydrocracking heavy aromatic polynuclear carbonaceous feedstocks to produce hydrocarbon fuels boiling below about 475.degree. C. by contacting the feedstocks with hydrogen in the presence of a molten zinc chloride catalyst and thereafter separating at least a major portion of the hydrocarbon fuels from the spent molten zinc chloride catalyst, an improvement comprising: adjusting the FeCl.sub.2 content of the molten zinc chloride to from about 2 to about 12 mol percent based on the mixture of ferrous chloride and molten zinc chloride.

  5. Determination of residual vinyl chloride in polyvinyl chloride, vinyl chloride copolymers, and articles from polyvinyl chloride by the method of equilibrium vapor analysis

    SciTech Connect

    Kalmykova, T.A.; Konstantinova, E.I.; Lazaris, A. Ya.

    1985-11-01

    In connection with the fact that vinyl chloride (VC) has carcinogenic properties, norms for its content both in the work place and also in polyvinyl chloride (PVC) and articles made from it have been sharply reduced. The method of equilibrium vapor analysis (EVA) has been used to determine vinyl chloride; this is carried out with the aid of devices for automatic metering. In the present work, the authors have investigated the possibility of applying the EVA method to PVC resins, VC copolymers, and articles made of PVC with the objective of developing universal methods of analyzing such objects. A two-stage separation is used in which the sample is preliminarily separated in a fore-column. The separation was worked out on the model mixture of methyl chloride-VC-ethyl chloride. The limit of VC detection is shown to be 5 x 10/sup -6/ to 5 x 10/sup -7/% by wt.

  6. Synthesis, characterization and application of 1-butyl-3 methylimidazolium chloride as green material for extractive desulfurization of liquid fuel.

    PubMed

    Dharaskar, Swapnil A; Varma, Mahesh N; Shende, Diwakar Z; Yoo, Chang Kyoo; Wasewar, Kailas L

    2013-01-01

    The possible application of imidazolium ionic liquids as energy-efficient green material for extractive deep desulfurization of liquid fuel has been investigated. 1-Butyl-3-methylimidazolium chloride [BMIM]Cl was synthesized by nucleophilic substitution reaction of n-methylimidazolium and 1-chlorobutane. Molecular structures of the ILs were confirmed by FTIR, (1)H-NMR, and (13)C-NMR. The thermal properties, conductivity, solubility, water content and viscosity analysis of [BMIM]Cl were carried out. The effects of reaction time, reaction temperature, sulfur compounds, and recycling of IL without regeneration on dibenzothiophene removal of liquid fuel were presented. In the extractive desulfurization process, the removal of dibenzothiophene in n-dodecane using [BMIM]Cl was 81% with mass ratio of 1 : 1, in 30 min at 30°C under the mild reaction conditions. Also, desulfurization of real fuels with IL and multistage extraction were studied. The results of this work might offer significant insights in the perceptive use of imidazoled ILs as energy-efficient green material for extractive deep desulfurization of liquid fuels as it can be reused without regeneration with considerable extraction efficiency. PMID:24307868

  7. Synthesis, Characterization and Application of 1-Butyl-3 Methylimidazolium Chloride as Green Material for Extractive Desulfurization of Liquid Fuel

    PubMed Central

    Dharaskar, Swapnil A.; Varma, Mahesh N.; Shende, Diwakar Z.; Yoo, Chang Kyoo; Wasewar, Kailas L.

    2013-01-01

    The possible application of imidazolium ionic liquids as energy-efficient green material for extractive deep desulfurization of liquid fuel has been investigated. 1-Butyl-3-methylimidazolium chloride [BMIM]Cl was synthesized by nucleophilic substitution reaction of n-methylimidazolium and 1-chlorobutane. Molecular structures of the ILs were confirmed by FTIR, 1H-NMR, and 13C-NMR. The thermal properties, conductivity, solubility, water content and viscosity analysis of [BMIM]Cl were carried out. The effects of reaction time, reaction temperature, sulfur compounds, and recycling of IL without regeneration on dibenzothiophene removal of liquid fuel were presented. In the extractive desulfurization process, the removal of dibenzothiophene in n-dodecane using [BMIM]Cl was 81% with mass ratio of 1 : 1, in 30 min at 30°C under the mild reaction conditions. Also, desulfurization of real fuels with IL and multistage extraction were studied. The results of this work might offer significant insights in the perceptive use of imidazoled ILs as energy-efficient green material for extractive deep desulfurization of liquid fuels as it can be reused without regeneration with considerable extraction efficiency. PMID:24307868

  8. Embedded chloride detectors for roadways and bridges

    NASA Astrophysics Data System (ADS)

    Fuhr, Peter L.; Huston, Dryver R.; McPadden, Adam P.; Cauley, Robert F.

    1996-04-01

    The problems associated with the application of chloride-based deicing agents to roadways and specifically bridges include chemical pollution and accelerated corrosion of strength members (especially rebar) within the structure. In many instances, local ordinances are attempting to force state agencies to reduce, if not eliminate, the use of these chlorides (typically at the cost of increased driving hazards). With respect to the corrosion aspects of chloride application, cracks that occur in the roadway/bridge pavement allow water to seep into the pavement carrying the chloride to the rebar with the resultant increase in corrosion. In response to this problem, particularly in high roadsalt usage areas, a chloride/water impermeable membrane is placed above the rebar matrix so if/when roadway cracking occurs, the roadsalts won't be able to damage the rebar. Such a membrane is costly -- and the question of its in-service performance is questionable. In a joint effort between the University of Vermont and the Vermont Agency of Transportation, we are developing fiber optic chloride detectors which are capable of being embedded into the rebar-concrete roadway under this membrane. The sensing mechanism relies on spectroscopic analysis of a chemical reaction of chloride and reagents (which have been coated onto the ends of fibers). Laboratory results of these detectors and a usable system configuration are presented.

  9. Materials for Conoco zinc chloride hydrocracking process

    SciTech Connect

    Baylor, V.B.; Keiser, J.R.; DeVan, J.H.

    1980-01-01

    Use of zinc chloride to augment hydrogenation of coal and yield a high-octane gasoline product is the most significant feature of a coal liquefaction process being developed by Conoco Coal Development Company. The zinc chloride catalyst is regenerated in a fluidized sand bed, where the spent melt is mixed with air and hydrogen chloride at about 1000/sup 0/C. Recovery is completed at 370/sup 0/C in a condenser, where the zinc chloride is collected and the oxygen and sulfur are separated as H/sub 2/O and SO/sub 2/. The economic viability of the entire process is highly dependent on almost complete recovery of the zinc chloride. The severe environmental conditions of this recovery process cause unique materials problems. Although high-temperature oxidation and sulfidation are being studied in related programs, suitable materials to resist their combined effects along with those of chlorides have not yet been specifically addressed. Common engineering materials, such as the austenitic stainless steels and many nickel-base alloys, are unsuitable because of their inability to tolerate the elevated temperatures and sulfidation, respectively. The objectives of this task are to screen various metallic and ceramic materials for resistance to the zinc chloride recovery system environment and to determine the nature of the attack by exposing coupons to the simulated environment in the laboratory.

  10. Methylene chloride poisoning in a cabinet worker.

    PubMed Central

    Mahmud, M; Kales, S N

    1999-01-01

    More than a million workers are at risk for methylene chloride exposure. Aerosol sprays and paint stripping may also cause significant nonoccupational exposures. After methylene chloride inhalation, significant amounts of carbon monoxide are formed in vivo as a metabolic by-product. Poisoning predominantly affects the central nervous system and results from both carboxyhemoglobin formation and direct solvent-related narcosis. In this report, we describe a case of methylene chloride intoxication probably complicated by exogenous carbon monoxide exposure. The worker's presentation of intermittent headaches was consistent with both methylene chloride intoxication and carbon monoxide poisoning. The exposures and symptoms were corroborated by elevated carboxyhemoglobin saturations and a workplace inspection that documented significant exposures to both methylene chloride and carbon monoxide. When both carbon monoxide and methylene chloride are inhaled, additional carboxyhemoglobin formation is expected. Preventive efforts should include education, air monitoring, and periodic carboxyhemoglobin determinations. Methylene chloride should never be used in enclosed or poorly ventilated areas because of the well-documented dangers of loss of consciousness and death. Images Figure 1 PMID:10464079

  11. Shelf life of unrefrigerated succinylcholine chloride injection.

    PubMed

    Boehm, J J; Dutton, D M; Poust, R I

    1984-02-01

    The shelf life of succinylcholine chloride injection at several pH values when stored at room temperature was evaluated. Solutions containing 20 mg/ml of succinylcholine chloride were stored at 25 and 40 degrees C. The reaction was studied at pH values ranging from 3.0 to 4.5. At two-week intervals, the solutions were assayed by high-pressure liquid chromatography. The initial amount of succinylcholine chloride in all samples was 100.1 +/- 2.37% of label claim. Hydrolysis of succinylcholine chloride in unbuffered solutions followed apparent zero-order kinetics. The pH range of maximum stability was found to be from 3.75 to 4.50. Succinylcholine chloride decomposed at a considerably higher rate at 40 degrees C. Allowing for the effects of pH adjustment during manufacture and degradation during shipping, losses of 7.0% and 9.0% potency can be expected after storage at 25 degrees C for four and six weeks, respectively. Succinylcholine Chloride Injection, USP, should be stored in the refrigerator; if unbuffered succinylcholine chloride injection complying with USP pH limits must be stored at room temperature, it should not be kept for longer than four weeks. PMID:6702837

  12. Dynamics of ferroelectric bis(imidazolium) pentachloroantimonate(III) by means of nuclear magnetic resonance 1H relaxometry and dielectric spectroscopy.

    PubMed

    Piecha-Bisiorek, A; Jakubas, R; Medycki, W; Florek-Wojciechowska, M; Wojciechowski, M; Kruk, D

    2014-05-22

    Some of haloantimonates(III) and halobismuthates(III) are ferroelectric. Bis(imidazolium) pentachloroantimonate(III), (C3N2H5)2SbCl5 (abbreviation: ICA) is the first example of such compounds with a one-dimensional anionic chain which exhibits ferroelectric properties. The relation between the ionic dynamics and network structure and the ferroelectric features is not clear. Here Nuclear Magnetic Resonance (NMR) (1)H spin-lattice relaxation experiments at 25 MHz are reported for ICA in the temperature range of 80 K-360 K, covering ferroelectric-paraelectric and structural phase transitions of the compound occurring at 180 and 342 K, respectively. The relaxation process is biexponential in the whole temperature range indicating two dynamically nonequivalent types of imidazolium cations. Temperature dependences of both relaxation contributions allow for identifying three motional processes. Two of them are cation-specific - i.e. they are attributed to the two types of imidazolium cations, respectively. The third process involves both types of cations, and it is characterized by much lower activation energy. Moreover, the relaxation data (combined with (1)H second moment measurements) show that the ferroelectric-paraelectric phase transition mechanism is governed, to a large extent, by the anionic network arrangement. The NMR studies are complemented by dielectric spectroscopy experiments performed in the vicinity of the Curie temperature, TC = 180 K, to get insight into the mechanism of the ferroelectric-paraelectric phase transition. The dielectric dispersion data show critical slowing down of the macroscopic relaxation time, τ, in ICA when approaching TC from the paraelectric side, indicating an order-disorder type of ferroelectrics. PMID:24804840

  13. Structural characterization, thermal and electric properties of imidazolium bromoantimonate(III): [C3H5N2]3[Sb2Br9

    NASA Astrophysics Data System (ADS)

    Piecha, A.; Kinzhybalo, V.; Ślepokura, K.; Jakubas, R.

    2007-01-01

    Tris(imidazolium) nonabromodiantimonate(III), [C3H5N2]3[Sb2Br9], is trimorphic. Its crystal structure has been determined at 100 K (form I) and 293 K (form II) by X-ray single crystal diffraction in, respectively, the monoclinic space groups, P21/c (form I) and P21/n (form II). In both structures, the anionic sublattice forms corrugated two-dimensional layers in the bc plane. In forms I and II there are, respectively, three and two crystallographically independent imidazolium cations. Two types of cations are present in the structures: the one that occupies cavities within the polyanions layer appears to be ordered in the lowest temperature form I and disordered in form II. The second type of imidazolium cations placed between the layers is ordered over the studied temperature region. The temperature dependence of the lattice parameters has been determined between 100 and 280 K. DSC studies indicate a presence of two reversible phase transitions: continuous at 237 K (I→II) and discontinuous at 373/351 K (heating-cooling) from form II to form III. The phase transition II→III is accompanied by a huge entropy transition ( ΔS) equal to ca. 28 Jmol-1K-1, which suggests an order (form II)-disorder (form III) transition mechanism. The dielectric relaxation process was found to appear in a low frequency region over the form I with an activation energy ca. 16.5 kJ/mol. A polydispersive character of the dielectric dispersion indicates a presence of complex molecular motions of dipolar groups in the title compound. The explanation of mechanism of the I→II phase transition in [C3H5N2]3[Sb2Br9] is proposed.

  14. Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative (1)H and (13)C NMR chemical shifts.

    PubMed

    Marekha, Bogdan A; Kalugin, Oleg N; Bria, Marc; Idrissi, Abdenacer

    2015-09-21

    Mixtures of ionic liquids (ILs) with polar aprotic solvents in different combinations and under different conditions (concentration, temperature etc.) are used widely in electrochemistry. However, little is known about the key intermolecular interactions in such mixtures depending on the nature of the constituents and mixture composition. In order to systematically address the intermolecular interactions, the chemical shift variation of (1)H and (13)C nuclei has been followed in mixtures of imidazolium ILs 1-n-butyl-3-methylimidazolium tetrafluoroborate (BmimBF4), 1-n-butyl-3-methylimidazolium hexafluorophosphate (BmimPF6), 1-n-butyl-3-methylimidazolium trifluoromethanesulfonate (BmimTfO) and 1-n-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BmimTFSI) with molecular solvent acetonitrile (AN) over the entire composition range at 300 K. The concept of relative chemical shift variation is proposed to assess the observed effects on a unified and unbiased scale. We have found that hydrogen bonds between the imidazolium ring hydrogen atoms and electronegative atoms of anions are stronger in BmimBF4 and BmimTfO ILs than those in BmimTFSI and BmimPF6. Hydrogen atom at position 2 of the imidazolium ring is substantially more sensitive to interionic hydrogen bonding than those at positions 4-5 in the case of BmimTfO and BmimTFSI ILs. These hydrogen bonds are disrupted upon dilution in AN due to ion dissociation which is more pronounced at high dilutions. Specific solvation interactions between AN molecules and IL cations are poorly manifested. PMID:26278514

  15. Specific heat anomaly in ferroelectric: Bis(imidazolium) pentachloroantimonate(III) (C3 N2 H5)2[SbCl5

    NASA Astrophysics Data System (ADS)

    Przesławski, J.; Piecha-Bisiorek, A.; Jakubas, R.

    2016-04-01

    Single crystals of ferroelectric bis(imidazolium) pentachloroantimonate(III) (C3N2H5)2 [SbCl5 ] have been grown and the heat capacity was measured by the use of AC calorimetric method. The temperature dependence of excess heat capacity and excess entropy in the ferroelectric phase can be described in the frame of the classical Landau-Devonshire theory of phase transitions. The results of experimental studies were analyzed and the α, γ and δ values of the Landau potential coefficients were calculated. The temperature dependence of the order parameter was also evaluated from the heat capacity data.

  16. L-Tryptophan L-tryptophanium chloride

    NASA Astrophysics Data System (ADS)

    Ghazaryan, V. V.; Fleck, M.; Petrosyan, A. M.

    2015-02-01

    L-Tryptophan L-tryptophanium chloride is a new salt with (A⋯A+) type dimeric cation. It crystallizes in the monoclinic system (space group P21, Z = 2). The asymmetric unit contains one zwitterionic L-tryptophan molecule, one L-tryptophanium cation and one chloride anion. The dimeric cation is formed by a Osbnd H⋯O hydrogen bond with the O⋯O distance equal to 2.5556(18) Å. The infrared and Raman spectra of the crystal are studied and compared with the spectra of L-tryptophanium chloride.

  17. Binary Nucleation of Water and Sodium Chloride

    SciTech Connect

    Nemec, Thomas; Marsik, Frantisek; Palmer, Donald

    2005-01-01

    Nucleation processes in the binary water-sodium chloride system are investigated in the sense of the classical nucleation theory (CNT). The CNT is modified to be able to handle the electrolytic nature of the system and is employed to investigate the acceleration of the nucleation process due to the presence of sodium chloride in the steam. This phenomenon, frequently observed in the Wilson zone of steam turbines, is called early condensation. Therefore, the nucleation rates of the water-sodium chloride mixture are of key importance in the power cycle industry.

  18. Water structure in concentrated lithium chloride solutions

    NASA Astrophysics Data System (ADS)

    Tromp, R. H.; Neilson, G. W.; Soper, A. K.

    1992-06-01

    The radial pair distribution functions gHH(r) and gOH(r) (to a good approximation) of 1 and 10 m solutions of lithium chloride in water have been obtained from neutron diffraction. It turns out that the intermolecular water structure in a solution of 10 m is affected considerably by the presence of ions—the number of hydrogen bonds is about 70% lower than in pure water. The intermolecular water structure in 1 m lithium chloride as well as the intramolecular water structure in both 1 and 10 m lithium chloride is not distinguishable from that of pure water in any measurable extent.

  19. Thermal reaction of the ionic liquid 1,2-dimethyl-(3-aminoethyl) imidazolium tetrafluoroborate: a kinetic and theoretical study.

    PubMed

    Zhou, Xinming; Cao, Bobo; Liu, Shuangyue; Sun, Xuejun; Zhu, Xiao; Fu, Hu

    2016-06-01

    Since the thermal stabilities of ionic liquids (ILs) are of significance for their application, an amine-functionalized IL 1,2-dimethyl-(3-aminoethyl) imidazolium tetrafluoroborate [aEMMIM][BF4] was chosen to study thermal decomposition mechanisms via the methods of FT-IR, (1)H NMR, TGA, TGA-MS and density functional theory (DFT) calculations. Theoretical and experimental results indicated that amine-functionalization reduces the thermal stability of [aEMMIM][BF4] compared to its non-functionalized counterpart. Moreover, we found that [aEMMIM][BF4] follows a unimolecular nucleophilic substitution (SN1) decomposition (98.8 %), whereas the bimolecular nucleophilic substitution (SN2) decomposition (1.2 %) is unfavorable. The SN1 and SN2 reactions were fully optimized at B3LYP/6-311++G(d,p) level, and the energies of reactant (R), intermediates (IM), transition state (TS) and product (P) were obtained and analyzed by reaction mechanism. The energy of the intermediate is higher than that of the reactants by 18.92 kJ mol(-1), and the energy of the TS is higher than that of the IM by 155.23 kJ mol(-1). This result indicates that the IM are also more stable than the P2 product, thus the reaction is endothermic. The chemical nature of the covalent and hydrogen bonds was analyzed by vibrational modes analysis (VMA), nature bond orbital (NBO) and the theory of atoms in molecules (AIM). Graphical Abstract Proposed thermal decomposition of [aEMMIM][BF4] via unimolecular ( SN1) and bimolecular( SN2) nucleophilic substitution mechanisms. The electrostatic potential surface (ESP) of the transition state illustrates that hydrogen bonds are generated when [BF4](-) is close to [aEMMIM](+), and SN1 decomposition is much favorable than SN2 decomposition. PMID:27188725

  20. Catastrophic event modeling. [lithium thionyl chloride batteries

    NASA Technical Reports Server (NTRS)

    Frank, H. A.

    1981-01-01

    A mathematical model for the catastrophic failures (venting or explosion of the cell) in lithium thionyl chloride batteries is presented. The phenomenology of the various processes leading to cell failure is reviewed.

  1. Qualitative Determination of Nitrate with Triphenylbenzylphosphonium Chloride.

    ERIC Educational Resources Information Center

    Berry, Donna A.; Cole, Jerry J.

    1984-01-01

    Discusses two procedures for the identification of nitrate, the standard test ("Brown Ring" test) and a new procedure using triphenylbenzylphosphonium chloride (TPBPC). Effectiveness of both procedures is compared, with the TPBPC test proving to be more sensitive and accurate. (JM)

  2. Copper chloride cathode for a secondary battery

    NASA Technical Reports Server (NTRS)

    Bugga, Ratnakumar V. (Inventor); Distefano, Salvador (Inventor); Nagasubramanian, Ganesan (Inventor); Bankston, Clyde P. (Inventor)

    1990-01-01

    Higher energy and power densities are achieved in a secondary battery based on molten sodium and a solid, ceramic separator such as a beta alumina and a molten catholyte such as sodium tetrachloroaluminate and a copper chloride cathode. The higher cell voltage of copper chloride provides higher energy densities and the higher power density results from increased conductivity resulting from formation of copper as discharge proceeds.

  3. Methyl chloride via oxhydrochlorination of methane

    SciTech Connect

    Jarvis, R.F. Jr.

    1997-12-31

    Dow Corning is developing a route from methane to methyl chloride via oxyhydrochlorination (OHC) chemistry with joint support from the Gas Research Institute and the Department of Energy Federal Energy Technology Center. Dow Corning is the world`s largest producer of methyl chloride and uses it as an intermediate in the production of silicone materials. Other uses include production of higher hydrocarbons, methyl cellulose, quaternary ammonium salts and herbicides. The objective of this project is to demonstrate and develop a route to methyl chloride with reduced variable cost by using methane instead of methanol raw materials. Methyl chloride is currently produced from methanol, but U.S. demand is typically higher than available domestic supply, resulting in fluctuating prices. OHC technology utilizes domestic natural gas as a feedstock, which allows a lower-cost source of methyl chloride which is independent of methanol. In addition to other uses of methyl chloride, OHC could be a key step in a gas-to-liquid fuels process. These uses could divert significant methanol demand to methane. A stable and selective catalyst has been developed in the laboratory and evaluated in a purpose-built demonstration unit. Materials of construction issues have been resolved and the unit has been run under a range of conditions to evaluate catalyst performance and stability. Many technological advances have been made, especially in the areas of catalyst development, online FTIR analysis of the product stream, and recovery of methyl chloride product via an absorber/stripper system. Significant technological hurdles still remain including heat transfer, catalysts scaleup, orthogonality in modeling, and scaleable absorption data. Economics of the oxyhydrochlorination process have been evaluated an found to be unfavorable due to high capital and utility costs. Future efforts will focus on improved methane conversion at high methyl chloride selectivity.

  4. The 5-(4-Ethynylophenoxy) isophthalic chloride

    NASA Technical Reports Server (NTRS)

    Hergenrother, P. M.; Jensen, B. J. (Inventor)

    1986-01-01

    Sulfone-ester polymers containing pendent ethynyl groups and a direct and multistep process for preparing them are disclosed. The multistep process involves the conversion of a pendent bromo group to the ethynyl group while the direct route involves reating hydroxy-terminated sulfone oligomer or polymers with a stoichiometric amount of 5-(4-ethynylphenoxy) isophthaloyl chloride. The 5-(4-ethynylphenoxy) isophthaloyl chloride and the process for preparing it are also disclosed.

  5. Molecular Dynamics Simulations of the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Chloride and Its Binary Mixtures with Ethanol.

    PubMed

    Chen, Mo; Pendrill, Robert; Widmalm, Göran; Brady, John W; Wohlert, Jakob

    2014-10-14

    Room temperature ionic liquids (ILs) of the imidazolium family have attracted much attention during the past decade for their capability to dissolve biomass. Besides experimental work, numerous compuational studies have been concerned with the physical properties of both neat ILs and their interactions with different solutes, in particular, carbohydrates. Many classical force fields designed specifically for ILs have been found to yield viscosities that are too high for the liquid state, which has been attributed to the fact that the effective charge densities are too high due to the lack of electronic polarizability. One solution to this problem has been uniform scaling of the partial charges by a scale factor in the range 0.6-0.9, depending on model. This procedure has been shown to improve the viscosity of the models, and also to positively affect other properties, such as diffusion constants and ionic conductivity. However, less attention has been paid to how this affects the overall thermodynamics of the system, and the problems it might create when the IL models are combined with other force fields (e.g., for solutes). In the present work, we employ three widely used IL force fields to simulate 1-n-butyl-3-methyl-imidazolium chloride in both the crystal and the liquid state, as well as its binary mixture with ethanol. Two approaches are used: one in which the ionic charge is retained at its full integer value and one in which the partial charges are uniformly reduced to 85%. We investigate and calculate crystal and liquid structures, molar heat capacities, heats of fusion, self-diffusion constants, ionic conductivity, and viscosity for the neat IL, and ethanol activity as a function of ethanol concentration for the binary mixture. We show that properties of the crystal are less affected by charge scaling compared to the liquid. In the liquid state, transport properties of the neat IL are generally improved by scaling, whereas values for the heat of fusion are

  6. Abnormal passive chloride absorption in cystic fibrosis jejunum functionally opposes the classic chloride secretory defect

    PubMed Central

    Russo, Michael A.; Högenauer, Christoph; Coates, Stephen W.; Santa Ana, Carol A.; Porter, Jack L.; Rosenblatt, Randall L.; Emmett, Michael; Fordtran, John S.

    2003-01-01

    Due to genetic defects in apical membrane chloride channels, the cystic fibrosis (CF) intestine does not secrete chloride normally. Depressed chloride secretion leaves CF intestinal absorptive processes unopposed, which results in net fluid hyperabsorption, dehydration of intestinal contents, and a propensity to inspissated intestinal obstruction. This theory is based primarily on in vitro studies of jejunal mucosa. To determine if CF patients actually hyperabsorb fluid in vivo, we measured electrolyte and water absorption during steady-state perfusion of the jejunum. As expected, chloride secretion was abnormally low in CF, but surprisingly, there was no net hyperabsorption of sodium or water during perfusion of a balanced electrolyte solution. This suggested that fluid absorption processes are reduced in CF jejunum, and further studies revealed that this was due to a marked depression of passive chloride absorption. Although Na+-glucose cotransport was normal in the CF jejunum, absence of passive chloride absorption completely blocked glucose-stimulated net sodium absorption and reduced glucose-stimulated water absorption 66%. This chloride absorptive abnormality acts in physiological opposition to the classic chloride secretory defect in the CF intestine. By increasing the fluidity of intraluminal contents, absence of passive chloride absorption may reduce the incidence and severity of intestinal disease in patients with CF. PMID:12840066

  7. Structure of complexes between aluminum chloride and other chlorides, 2: Alkali-(chloroaluminates). Gaseous complexes

    NASA Technical Reports Server (NTRS)

    Hargittai, M.

    1980-01-01

    The structural chemistry of complexes between aluminum chloride and other metal chlorides is important both for practice and theory. Condensed-phase as well as vapor-phase complexes are of interest. Structural information on such complexes is reviewed. The first emphasis is given to the molten state because of its practical importance. Aluminum chloride forms volatile complexes with other metal chlorides and these vapor-phase complexes are dealt with in the second part. Finally, the variations in molecular shape and geometrical parameters are summarized.

  8. Vinyl chloride loss during laboratory holding time

    SciTech Connect

    Soule, R.G.; Jones, D.B.A.; Symonik, D.M.; Gerbec, B.A.; Turgeon, D.W.

    1995-12-31

    Because vinyl chloride is a potent human carcinogen, it`s important that analytical results from groundwater samples accurately reflect levels of exposure. This study investigated the current allowable sample holding time of 14 days to determine if vinyl chloride is lost from samples during this time. In addition to lab spiked samples, groundwater was collected from a well known to contain vinyl chloride. A statistically significant (a = 0.05) decrease in vinyl chloride concentrations was observed over the 14-day holding time. The most significant loss was seen for those samples held the maximum length of time (14 days). No differences in degradation pattern were noted between analytical detectors used (PID versus Hall) or sample type (lab versus field). There also was a loss of vinyl chloride observed during the sampling and handling process. Analytical variability at low concentrations and the establishment of health-based guidelines near the analytical detection limit require that multiple samples be collected from a single location when highly accurate results are required. These findings have implications for the accurate generation of public health exposure assessments and the implementation of health-based recommendations at sites with vinyl chloride groundwater contamination.

  9. Comparative study of bending characteristics of ionic polymer actuators containing ionic liquids for modeling actuation

    NASA Astrophysics Data System (ADS)

    Kikuchi, Kunitomo; Sakamoto, Takumi; Tsuchitani, Shigeki; Asaka, Kinji

    2011-04-01

    Ionic polymer metal composites (IPMCs) that can operate in air have recently been developed by incorporating an ionic liquid in ionic polymers. To understand transduction in these composites, it is important to determine the role of the ionic liquid in the ionic polymer (Nafion®), to identify the counter cation, and to investigate the interaction of IPMCs with water vapor in the air. We used Fourier-transform infrared spectroscopy to analyze three Nafion® membranes, which were soaked in mixtures of water and an ionic liquid (1-ethyl-3-methyl-imidazolium tetrafluoroborate (EMIBF4), 1-buthyl-3-methyl-imidazolium tetrafluoroborate (BMIBF4), and 1-buthyl-3-methyl-imidazolium hexafluorophosphate (BMIPF6)). The results demonstrate that only cations (EMI+ and BMI+) in the ionic liquids are taken into the Nafion® membranes as counter ions and that the water content of the membranes in air is less than ˜4% that of Nafion® swollen with water. Based on the experimental results, a transduction model is proposed for an IPMC with an ionic liquid. In this model, bending is caused by local swelling due to the volume effect of the bulky counter cations. This model can explain 30-50% of the experimentally observed bending curvature.

  10. Gutmann's Donor Numbers Correctly Assess the Effect of the Solvent on the Kinetics of SN Ar Reactions in Ionic Liquids.

    PubMed

    Alarcón-Espósito, Jazmín; Contreras, Renato; Tapia, Ricardo A; Campodónico, Paola R

    2016-09-01

    We report an experimental study on the effect of solvents on the model SN Ar reaction between 1-chloro-2,4-dinitrobenzene and morpholine in a series of pure ionic liquids (IL). A significant catalytic effect is observed with reference to the same reaction run in water, acetonitrile, and other conventional solvents. The series of IL considered include the anions, NTf2 (-) , DCN(-) , SCN(-) , CF3 SO3 (-) , PF6 (-) , and FAP(-) with the series of cations 1-butyl-3-methyl-imidazolium ([BMIM](+) ), 1-ethyl-3-methyl-imidazolium ([EMIM](+) ), 1-butyl-2,3-dimethyl-imidazolium ([BM2 IM](+) ), and 1-butyl-1-methyl-pyrrolidinium ([BMPyr](+) ). The observed solvent effects can be attributed to an "anion effect". The anion effect appears related to the anion size (polarizability) and their hydrogen-bonding (HB) abilities to the substrate. These results have been confirmed by performing a comparison of the rate constants with Gutmann's donicity numbers (DNs). The good correlation between rate constants and DN emphasizes the major role of charge transfer from the anion to the substrate. PMID:27506894

  11. Electrochemical and structural characterization of polymer gel electrolytes based on a PEO copolymer and an imidazolium-based ionic liquid for dye-sensitized solar cells.

    PubMed

    Freitas, Flavio S; de Freitas, Jilian N; Ito, Bruno I; De Paoli, Marco-A; Nogueira, Ana F

    2009-12-01

    Polymer electrolytes based on mixtures of poly(ethylene oxide-co-propylene oxide) and 1-methyl-3-propyl-imidazolium iodide (MPII) were investigated, aiming at their application in dye-sensitized solar cells (DSSC). The interactions between the copolymer and the ionic liquid were analyzed by infrared spectroscopy and (1)H NMR. The results show interactions between the ether oxygen in the polymer and the hydrogen in the imidazolium cations. The ionic conductivities, electrochemical behaviors, and thermal properties of the electrolytes containing different concentrations of MPII were investigated. The electrolyte containing 70 wt % MPII presented the highest ionic conductivity (2.4 x 10(-3) S cm(-1)) and a diffusion coefficient of 1.9 x 10(-7) cm(2) s(-1). The influence of LiI addition to the electrolytes containing different concentrations of MPII was also investigated. The DSSC assembled with the electrolyte containing 70 wt % MPII showed an efficiency of 3.84% at 100 mW cm(-2). The stability of the devices for a period of 30 days was also evaluated using sealed cells. The devices assembled with the electrolyte containing less ionic liquid showed to be more stable. PMID:20356169

  12. Ion chromatography with the indirect ultraviolet detection of alkali metal ions and ammonium using imidazolium ionic liquid as ultraviolet absorption reagent and eluent.

    PubMed

    Liu, Yong-Qiang; Yu, Hong

    2016-08-01

    Indirect ultraviolet detection was conducted in ultraviolet-absorption-agent-added mobile phase to complete the detection of the absence of ultraviolet absorption functional group in analytes. Compared with precolumn derivatization or postcolumn derivatization, this method can be widely used, has the advantages of simple operation and good linear relationship. Chromatographic separation of Li(+) , Na(+) , K(+) , and NH4 (+) was performed on a carboxylic acid base cation exchange column using imidazolium ionic liquid/acid/organic solvent as the mobile phase, in which imidazolium ionic liquids acted as ultraviolet absorption reagent and eluting agent. The retention behaviors of four kinds of cations are discussed, and the mechanism of separation and detection are described. The main factors influencing the separation and detection were the background ultraviolet absorption reagent and the concentration of hydrogen ion in the ion chromatography-indirect ultraviolet detection. The successful separation and detection of Li(+) , Na(+) , K(+) , and NH4 (+) within 13 min was achieved using the selected chromatographic conditions, and the detection limits (S/N = 3) were 0.02, 0.11, 0.30, and 0.06 mg/L, respectively. A new separation and analysis method of alkali metal ions and ammonium by ion chromatography with indirect ultraviolet detection method was developed, and the application range of ionic liquid was expanded. PMID:27377245

  13. Toxicity of two imidazolium ionic liquids, [bmim][BF4] and [omim][BF4], to standard aquatic test organisms: Role of acetone in the induced toxicity.

    PubMed

    Tsarpali, Vasiliki; Dailianis, Stefanos

    2015-07-01

    The main goal of this study was to investigate the toxicity of the imidazolium-based ionic liquids (ILs), [bmim][BF4] (1-butyl-3-methylimidazolium tetrafluoroborate) and [omim][BF4] (1-octyl-3-methylimidazolium tetrafluoroborate), in battery of standard aquatic toxicity test organisms. Specifically, exposure of the algae Scenedesmus rubescens, crustaceans Thamnocephalus platyurus and Artemia franciscana, rotifers Brachionus calyciflorus and Brachionus plicatilis and bivalve Mytilus galloprovincialis to different concentrations of [bmim][BF4], [omim][BF4] and/or a binary mixture of [bmim][BF4]-[omim][BF4] (1:1) with or without acetone (carrier solvent), revealed that solvent can differentially mediate ILs' toxic profile. Acetone's ability to differentially affect ILs' cation's alkyl chain length, as well as the hydrolysis of [BF4(-)] anions was evident. Given that the toxic potency of the tested ILs seemed to be equal or even higher (in some cases) than those of conventional organic solvents, the present study revealed that the characterization of imidazolium-based ILs as "green solvents" should not be generalized, at least in case of their natural occurrence in mixtures with organic solvents, such as acetone. PMID:25839183

  14. How does spacer length of imidazolium gemini surfactants control the fabrication of 2D-Langmuir films of silver-nanoparticles at the air-water interface?

    PubMed

    Datta, Sougata; Biswas, Joydeep; Bhattacharya, Santanu

    2014-09-15

    A series of gemini surfactants based on cationic imidazolium ring as polar headgroup, abbreviated as [Im-n-Im], 2Br(-) (n=2, 5, 6 and 12), was synthesized. Their ability to stabilize silver nanoparticles in aqueous media was investigated. The resulting suspensions were characterized by UV-Vis spectroscopy and transmission electron microscopy (TEM). They exhibit specific morphologies by adopting different supramolecular assemblies in aqueous media depending on the internal packing arrangements and on the number of spacer methylene units [-(CH2)n-]. Individual colloids were extracted from the aqueous to chloroform layer and spread at the air/water interface to allow the formation of well-defined Langmuir films. By analysis of the surface pressure-area isotherms, the details about the packing behavior and orientation of the imidazolium gemini surfactant capped silver nanoparticles were obtained. Morphological features of the dynamic process of monolayer compression at the air-water interface were elucidated using Brewster angle microscopy (BAM). These monolayers were further transferred on mica sheets by the Langmuir-Blodgett technique at their associated collapse pressure and the morphology of these monolayers was investigated by atomic force microscopy (AFM). The number of spacer methylene units [-(CH2)n-] of the gemini surfactants exerted critical influence in modulating the characteristics of the resulting Langmuir films. PMID:24998058

  15. 42 CFR 84.250 - Vinyl chloride respirators; description.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 42 Public Health 1 2014-10-01 2014-10-01 false Vinyl chloride respirators; description. 84.250... Respirators § 84.250 Vinyl chloride respirators; description. Vinyl chloride respirators, including all... escape from vinyl chloride atmospheres containing adequate oxygen to support life, are...

  16. 42 CFR 84.250 - Vinyl chloride respirators; description.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 42 Public Health 1 2013-10-01 2013-10-01 false Vinyl chloride respirators; description. 84.250... Respirators § 84.250 Vinyl chloride respirators; description. Vinyl chloride respirators, including all... escape from vinyl chloride atmospheres containing adequate oxygen to support life, are...

  17. 42 CFR 84.250 - Vinyl chloride respirators; description.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 42 Public Health 1 2012-10-01 2012-10-01 false Vinyl chloride respirators; description. 84.250... Respirators § 84.250 Vinyl chloride respirators; description. Vinyl chloride respirators, including all... escape from vinyl chloride atmospheres containing adequate oxygen to support life, are...

  18. 42 CFR 84.250 - Vinyl chloride respirators; description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 42 Public Health 1 2010-10-01 2010-10-01 false Vinyl chloride respirators; description. 84.250... Respirators § 84.250 Vinyl chloride respirators; description. Vinyl chloride respirators, including all... escape from vinyl chloride atmospheres containing adequate oxygen to support life, are...

  19. 42 CFR 84.250 - Vinyl chloride respirators; description.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 42 Public Health 1 2011-10-01 2011-10-01 false Vinyl chloride respirators; description. 84.250... Respirators § 84.250 Vinyl chloride respirators; description. Vinyl chloride respirators, including all... escape from vinyl chloride atmospheres containing adequate oxygen to support life, are...

  20. 21 CFR 178.3290 - Chromic chloride complexes.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Chromic chloride complexes. 178.3290 Section 178... SANITIZERS Certain Adjuvants and Production Aids § 178.3290 Chromic chloride complexes. Myristo chromic chloride complex and stearato chromic chloride complex may be safely used as release agents in the...

  1. 49 CFR 179.102-17 - Hydrogen chloride, refrigerated liquid.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 3 2011-10-01 2011-10-01 false Hydrogen chloride, refrigerated liquid. 179.102-17... Hydrogen chloride, refrigerated liquid. Each tank car used to transport hydrogen chloride, refrigerated... on or after March 16, 2009 used for the transportation of hydrogen chloride, refrigerated...

  2. 49 CFR 179.102-17 - Hydrogen chloride, refrigerated liquid.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 3 2013-10-01 2013-10-01 false Hydrogen chloride, refrigerated liquid. 179.102-17... Hydrogen chloride, refrigerated liquid. Each tank car used to transport hydrogen chloride, refrigerated... on or after March 16, 2009 used for the transportation of hydrogen chloride, refrigerated...

  3. 49 CFR 179.102-17 - Hydrogen chloride, refrigerated liquid.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 3 2012-10-01 2012-10-01 false Hydrogen chloride, refrigerated liquid. 179.102-17... Hydrogen chloride, refrigerated liquid. Each tank car used to transport hydrogen chloride, refrigerated... on or after March 16, 2009 used for the transportation of hydrogen chloride, refrigerated...

  4. 49 CFR 179.102-17 - Hydrogen chloride, refrigerated liquid.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 3 2014-10-01 2014-10-01 false Hydrogen chloride, refrigerated liquid. 179.102-17... Hydrogen chloride, refrigerated liquid. Each tank car used to transport hydrogen chloride, refrigerated... on or after March 16, 2009 used for the transportation of hydrogen chloride, refrigerated...

  5. 49 CFR 179.102-17 - Hydrogen chloride, refrigerated liquid.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false Hydrogen chloride, refrigerated liquid. 179.102-17...) § 179.102-17 Hydrogen chloride, refrigerated liquid. Each tank car used to transport hydrogen chloride... on or after March 16, 2009 used for the transportation of hydrogen chloride, refrigerated...

  6. Fundamental studies on electrochemical production of dendrite-free aluminum and titanium-aluminum alloys

    NASA Astrophysics Data System (ADS)

    Pradhan, Debabrata

    A novel dendrite-free electrorefining of aluminum scrap was investigated by using AlCl3-1-Ethyl-3-methyl-imidazolium chloride (EMIC) ionic liquid electrolyte. Electrodeposition of aluminum were conducted on copper/aluminum cathodes at voltage of 1.5 V, temperatures (50-110°C), stirring rate (0-120 rpm), molar ratio (MR) of AlCl3:EMIC (1.25-2.0) and electrode surface modification (modified/unmodified). The study was focused to investigate the effect of process variables on deposit morphology, cathode current density and their role in production of dendrite-free aluminum. The deposits were characterized using scanning electron microscope (SEM), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD). Modified electrodes and stirring rate (60 rpm) eliminate dendritic deposition by reducing cathode overpotential below critical overpotential (etacrt≈ -0.54 V) for dendrite formation. Pure aluminum (>99%) was deposited with current efficiency of 84-99%. Chronoamperometry study was conducted using AlCl3-EMIC and AlCl3-1-Butyl-3-methyl-imidazolium chloride (BMIC) (MR = 1.65:1) at 90°C to understand the mechanism of aluminum electrodeposition and find out diffusion parameter of electroactive species Al2C 7-. It was concluded that electrodeposition of aluminum is a diffusion controlled instantaneous nucleation process and diffusion coefficient of Al2C7- was found to be 5.2-6.9 x 10-11 m2/s and 2.2 x 10-11 m2/s for AlCl3-EMIC and AlCl3-BMIC, respectively. A novel production route of Ti-Al alloys was investigated using AlCl 3-BMIC-TiCl4 (MR = 2:1:0.019) and AlCl3-BMIC (MR = 2:1) electrolytes at constant voltages of 1.5-3.0 V and temperatures (70-125°C). Ti sheet was used as anode and cathode. Characterization of electrodeposited Ti-Al alloys was carried out using SEM, EDS, XRD and inductively coupled plasma-optical emission spectrometer (ICP-OES). Effect of voltage and temperature on cathode current density, current efficiency, composition and morphology of Ti

  7. Atmospheric chloride: Its implication for foliar uptake and damage

    NASA Astrophysics Data System (ADS)

    McWilliams, E. L.; Sealy, R. L.

    Atmospheric chloride is inversely related to distance from the Texas coast; r2 = 0.86. Levels of atmospheric chloride are higher in the early summer than in the winter because of salt storms. Leaf chloride l'evels of Tillandsia usneoides L. (Spanish moss) reflect the atmospheric chloride levels; r2 = 0.78. The importance of considering the effect of atmospheric chloride on leaf damage to horticultural crops is discussed.

  8. How the spontaneous insertion of amphiphilic imidazolium-based cations changes biological membranes: a molecular simulation study.

    PubMed

    Lim, Geraldine S; Jaenicke, Stephan; Klähn, Marco

    2015-11-21

    , which is effected by the cations through the thinning of the membrane and favorable interactions of the delocalized OMIM(+) charge with ammonia inside the membrane. Overall, the results indicate the antimicrobial effect of amphiphilic imidazolium-based cations that are found in various common ILs. This effect is caused by an alteration of the permeability of the bacterial membrane and other property changes. PMID:26466122

  9. Commercial scale cucumber fermentations brined with calcium chloride instead of sodium chloride

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Development of low salt cucumber fermentation processes present opportunities to reduce the amount of sodium chloride (NaCl) that reaches fresh water streams from industrial activities. The objective of this research was to translate cucumber fermentation brined with calcium chloride instead of NaCl...

  10. Congenital Chloride Diarrhea: Diagnosis by Easy-Accessible Chloride Measurement in Feces

    PubMed Central

    Eckhardt, M.-C.; Nielsen, P. E.

    2016-01-01

    Background. Congenital chloride diarrhea (CCD) is an autosomal recessive disorder caused by mutations in the genes encoding the intestinal Cl−/HCO3− exchanger and is clinically characterized by watery, profound diarrhea, electrolyte disturbances, and metabolic alkalosis. The CCD diagnosis is based on the clinical symptoms and measurement of high chloride concentration in feces (>90 mmol/L) and is confirmed by DNA testing. Untreated CCD is lethal, while long-term clinical outcome improves when treated correctly. Case Presentation. A 27-year-old woman had an emergency caesarian due to pain and discomfort in gestational week 36 + 4. The newborn boy had abdominal distension and yellow fluid per rectum. Therapy with intravenous glucose and sodium chloride decreased his stool frequency and improved his clinical condition. A suspicion of congenital chloride diarrhea was strongly supported using blood gas analyzer to measure an increased chloride concentration in the feces; the diagnosis was confirmed by DNA testing. Discussion. Measurement of chloride in feces using an ordinary blood gas analyzer can serve as a preliminary analysis when congenital chloride diarrhea is suspected. This measurement can be easily performed with a watery feces composition. An easy-accessible chloride measurement available will facilitate the diagnostics and support the initial treatment if CCD is suspected.

  11. Inhibition of nitrite-induced toxicity in channel catfish by calcium chloride and sodium chloride

    USGS Publications Warehouse

    Tommasso J.R., Wright, M. I.; Simco, B.A.; Davis, K.B.

    1980-01-01

    Environmental chloride has been shown to inhibit methemoglobin formation in fish, thereby offering a protective effect against nitrite toxicity. Channel catfish (Ictalurus punctatus) were simultaneously exposed to various environmental nitrite and chloride levels (as either CaCl2 or NaCl) in dechlorinated tap water (40 mg/L total hardness, 47 mg/L alkalinity, 4 mg/L chloride, pH = 6.9-7.1, and temperature 21-24°C). Methemoglobin levels in fish simultaneously exposed to 2.5 mg/L nitrite and up to 30 mg/L chloride as either CaCl2 or NaCl were similar but significantly lower than in unprotected fish. Exposure to 10 mg/L nitrite and 60 mg/L chloride resulted in methemoglobin levels similar to those of the controls; most unprotected fish died. Fish exposed to 10 mg/L nitrite had significantly lower methemoglobin levels when protected with 15.0 mg/L chloride as CaCl2 than with NaCl. Fish exposed to nitrite in the presence of 60 mg/L chloride (as either CaCl2 or NaCl) had similar 24-h LC50 values that were significantly elevated above those obtained in the absence of chloride. Calcium had little effect on tolerance to nitrite toxicity in channel catfish in contrast to its large effect reported in steelhead trout (Salmo gairdneri).

  12. Fermentation of cucumbers brined with calcium chloride instead of sodium chloride

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Generation of waste water containing sodium chloride from cucumber fermentation tank yards could be eliminated if cucumbers were fermented in brines that did not contain this salt. To determine if this is feasible, cucumbers were fermented in brines that contained only calcium chloride to maintain f...

  13. 40 CFR 61.65 - Emission standard for ethylene dichloride, vinyl chloride and polyvinyl chloride plants.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 9 2013-07-01 2013-07-01 false Emission standard for ethylene dichloride, vinyl chloride and polyvinyl chloride plants. 61.65 Section 61.65 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission...

  14. Thermoluminescence of ultra-high dilutions of lithium chloride and sodium chloride

    NASA Astrophysics Data System (ADS)

    Rey, Louis

    2003-05-01

    Ultra-high dilutions of lithium chloride and sodium chloride (10 -30 g cm -3) have been irradiated by X- and γ-rays at 77 K, then progressively rewarmed to room temperature. During that phase, their thermoluminescence has been studied and it was found that, despite their dilution beyond the Avogadro number, the emitted light was specific of the original salts dissolved initially.

  15. Mechanism for forming hydrogen chloride and sodium sulfate from sulfur trioxide, water, and sodium chloride

    NASA Technical Reports Server (NTRS)

    Anderson, A. B.

    1984-01-01

    A molecular orbital study of sodium sulfate and hydrogen chloride formation from sulfur trioxide, water, and sodium chloride shows no activation barrier, in agreement with recent experimental work of Kohl, Fielder, and Stearns. Two overall steps are found for the process. First, gas-phase water reacts with sulfur trioxide along a pathway involving a linear O-H-O transition state yielding closely associated hydroxyl and bisulfite which rearrange to become a hydrogen sulfate molecule. Then the hydrogen sulfate molecule transfers a hydrogen atom to a surface chloride in solid sodium chloride while an electron and a sodium cation simultaneously transfer to yield sodium bisulfate and gas-phase hydrogen chloride. This process repeats. Both of these steps represent well-known reactions for which mechanisms have not been previously determined.

  16. Advanced intermediate temperature sodium copper chloride battery

    NASA Astrophysics Data System (ADS)

    Yang, Li-Ping; Liu, Xiao-Min; Zhang, Yi-Wei; Yang, Hui; Shen, Xiao-Dong

    2014-12-01

    Sodium metal chloride batteries, also called as ZEBRA batteries, possess many merits such as low cost, high energy density and high safety, but their high operation temperature (270-350 °C) may cause several issues and limit their applications. Therefore, decreasing the operation temperature is of great importance in order to broaden their usage. Using a room temperature ionic liquid (RTIL) catholyte composed of sodium chloride buffered 1-ethyl-3-methylimidazolium chloride-aluminum chloride and a dense β″-aluminates solid electrolyte film with 500 micron thickness, we report an intermediate temperature sodium copper chloride battery which can be operated at only 150 °C, therefore alleviating the corrosion issues, improving the material compatibilities and reducing the operating complexities associated with the conventional ZEBRA batteries. The RTIL presents a high ionic conductivity (0.247 S cm-1) at 150 °C and a wide electrochemical window (-2.6 to 2.18 vs. Al3+/Al). With the discharge plateau at 2.64 V toward sodium and the specific capacity of 285 mAh g-1, this intermediate temperature battery exhibits an energy density (750 mWh g-1) comparable to the conventional ZEBRA batteries (728-785 mWh g-1) and superior to commercialized Li-ion batteries (550-680 mWh g-1), making it very attractive for renewable energy integration and other grid related applications.

  17. Combining sulfate electrowinning with chloride leaching

    NASA Astrophysics Data System (ADS)

    Fletcher, A. W.; Sudderth, R. B.; Olafson, S. M.

    1991-08-01

    Although the chloride leaching of copper sulfide concentrates has proved highly efficient, electrowinning from chloride solutions presents many difficulties, notably in cell design and the handling of the powder product. Sulfate electrowinning,on the other hand, continues to improve and has played a significant part in the widespread adoption of the solvent extraction-electrowinning process for copper recovery from low-grade ores. It has been found that the two steps can be combined by introducing a novel solvent extraction process after chloride leaching. This article presents the results of laboratory tests to prove the feasibility of this approach and discusses how it can be integrated into a commercially viable flow sheet.

  18. Reactivity, SCE induction and mutagenicity of benzyl chloride derivatives.

    PubMed

    Hemminki, K; Falck, K; Linnainmaa, K

    1983-08-01

    Benzyl chloride, benzyl bromide, p-methylbenzyl chloride, and p-nitrobenzyl chloride were used to study chemical reactivity with 4-(p-nitrobenzyl)-pyridine (NBP), and with guanosine in vitro, in relation to mutagenic potency in S. typhimurium and sister chromatid exchange (SCE) induction in CHO cells. Benzyl bromide was found to be the most reactive compound, followed by p-methylbenzyl chloride, benzyl chloride and p-nitrobenzyl chloride. The order of mutagenicity was p-nitrobenzyl chloride much greater than benzyl bromide greater than benzyl chloride approximately equal to p-methylbenzyl chloride. The compounds tested caused base-pair mutations only. The order of SCE-inducing ability decreased as follows: benzyl bromide greater than benzyl chloride approximately equal to p-nitrobenzyl chloride approximately equal to p-methylbenzyl chloride. The particularly high mutagenicity of p-nitrobenzyl chloride in bacteria may be due to reactions other than direct aralkylation, or it may react particularly actively with DNA. Among the other compounds, benzyl bromide was the most active aralkylating compound, mutagen and SCE inducer. The results suggested that reaction of N2 of guanine, as compared with N-7 of guanine, failed to show any remarkable mutagenicity or SCE induction, since p-methylbenzyl chloride, reacting preferentially at N2 of guanosine, failed to show unexceptional potency. PMID:6358331

  19. Experimental and DFT studies on the aggregation behavior of imidazolium-based surface-active ionic liquids with aromatic counterions in aqueous solution.

    PubMed

    Xu, Wenwen; Wang, Tao; Cheng, Ni; Hu, Qiongzheng; Bi, Yanhui; Gong, Yanjun; Yu, Li

    2015-02-01

    Two imidazolium-based surface-active ionic liquids with aromatic counterions, namely, 1-dodecyl-3-methylimidazolium salicylate (C12mimSal) and 1-dodecyl-3-methylimidazolium 3-hydroxy-2-naphthoate (C12mimHNC), were synthesized, and their aggregate behavior in aqueous solutions was systematically explored. Surface tension and conductivity measurements indicate that both C12mimSal and C12mimHNC show superior surface activity compared to the common imidazolium-based SAIL with the same hydrocarbon chain length, 1-dodecyl-3-methylimidazolium bromide (C12mimBr). This result demonstrates that the incorporation of aromatic counterions favors the formation of micelles. C12mimHNC displays a higher surface activity than C12mimSal, resulting from the different hydrophobicities of the counterions. In comparison with C12mimBr, C12mimSal not only can form hexagonal liquid-crystalline phase (H1) in aqueous solution, but also exhibits a broad region of cubic liquid-crystalline phase (V2) at higher concentration. As for the C12mimHNC/H2O system, a lamellar liquid-crystalline (L(α)) phase was observed. These lyotropic liquid crystals (LLCs) were characterized by polarized optical microscopy (POM) and small-angle X-ray scattering (SAXS). Structural parameters calculated from SAXS patterns suggest that a higher concentration of the SAIL leads to a denser arrangement whereas a higher temperature results in the opposite effect. The rheological results manifest that the formed H1 phase in the C12mimSal/H2O system exhibits an impressive viscoelastic behavior, indicated by a modulus (G' and G″) that is 1 order of magnitude higher than that of C12mimBr. Density functional theory (DFT) calculations reveal that C12mimSal has a more negative interaction energy with a water molecule and the Sal(-) counterion presents a stronger electronegativity than the HNC(-) counterion. The specific phase behavior of the C12mimSal/H2O and C12mimHNC/H2O systems can be attributed to the strong synergic

  20. Zinc chloride (smoke bomb) inhalational lung injury

    SciTech Connect

    Matarese, S.L.; Matthews, J.I.

    1986-02-01

    Physicians, military and civilian alike, may be called upon to recognize, treat, and provide long-term care to patients who have suffered a zinc chloride (smoke bomb) inhalational injury. Pathologic changes described in the literature include laryngeal, tracheal, and bronchial mucosal edema and ulceration; interstitial edema; interstitial fibrosis; alveolar obliteration; and bronchiolitis obliterans. Acute injury is associated with a high mortality. Following is a report of a patient with a zinc chloride smoke injury which resulted in subpleural emphysematous blebs complicated by pneumothorax and abnormal exercise physiology. Gradual recovery occurred over several months. However, the chest roentgenogram remains abnormal with emphysematous blebs.

  1. Hazards of lithium thionyl chloride batteries

    NASA Technical Reports Server (NTRS)

    Parry, J. M.

    1978-01-01

    Two different topics which only relate in that they are pertinent to lithium thionyl chloride battery safety are discussed. The first topic is a hazards analysis of a system (risk assessment), a formal approach that is used in nuclear engineering, predicting oil spills, etc. It is a formalized approach for obtaining assessment of the degree of risk associated with the use of any particular system. The second topic is a small piece of chemistry related to the explosions that can occur with lithium thionyl chloride systems. After the two topics are presented, a discussion is generated among the Workshop participants.

  2. Alkyl Chlorides as Hydrogen Bond Acceptors

    SciTech Connect

    Nadas, Janos I; Vukovic, Sinisa; Hay, Benjamin

    2012-01-01

    To gain an understanding of the role of an alkyl chloride as a hydrogen bond acceptor, geometries and interaction energies were calculated at the MP2/aug-cc-pVDZ level of theory for complexes between ethyl chloride and representative hydrogen donor groups. The results establish that these donors, which include hydrogen cyanide, methanol, nitrobenzene, pyrrole, acetamide, and N-methylurea, form X-H {hor_ellipsis} Cl hydrogen bonds (X = C, N, O) of weak to moderate strength, with {Delta}E values ranging from -2.8 to -5.3 kcal/mol.

  3. Measuring Sodium Chloride Contents of Aerosols

    NASA Technical Reports Server (NTRS)

    Sinha, M. P.; Friedlander, S. K.

    1986-01-01

    Amount of sodium chloride in individual aerosol particles measured in real time by analyzer that includes mass spectrometer. Analyzer used to determine mass distributions of active agents in therapeutic or diagnostic aerosols derived from saline solutions and in analyzing ocean spray. Aerosol particles composed of sodium chloride introduced into oven, where individually vaporized on hot wall. Vapor molecules thermally dissociated, and some of resulting sodium atoms ionized on wall. Ions leave oven in burst and analyzed by spectrometer, which is set to monitor sodium-ion intensity.

  4. Formation of N-Heterocyclic Carbenes by Tautomerization of Mesomeric Betaines: Cyclic Boron Adducts and Palladium Complexes From 2-(Imidazolium-1-yl)phenolates.

    PubMed

    Liu, Ming; Nieger, Martin; Hübner, Eike G; Schmidt, Andreas

    2016-04-01

    2-(Imidazolium-1-yl)phenolates are conjugated heterocyclic mesomeric betaines in tautomeric equilibrium with the corresponding N-heterocyclic carbenes (NHCs), 3-(2-hydroxyphenyl)-imidazol-2-ylidenes. The carbene tautomers can be trapped as thiones (X-ray analysis). Moreover, bis(triphenylphosphine)palladium(II) dichloride in THF trapped the carbene tautomer as a palladium complex without participation of the phenolate group (X-ray analysis). The corresponding anionic NHCs, 2-phenolate-substituted imidazol-2-ylidenes, can be trapped by triethylborane or triphenylborane to form 4,4-diethyl- or 4,4-diphenyl-4H-benzo[e]imidazo[2,1-c][1,4,2]oxaza-borininium-4-ides, respectively (two X-ray analyses). These tricyclic systems are the first representatives of a new heterocyclic ring system. The results of DFT calculations concerning the HOMO/LUMO profiles and partial charges are also presented. PMID:26929134

  5. The effect of C2 substitution on melting point and liquid phase dynamics of imidazolium based-ionic liquids: insights from molecular dynamics simulations

    SciTech Connect

    Zhang, Y; Maginn, EJ

    2012-01-01

    Using molecular dynamics simulations, the melting points and liquid phase dynamic properties were studied for four alkyl-imidazolium-based ionic liquids, 1-n-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]), 1-n-butyl-2,3-dimethylimidazolium hexafluorophosphate ([BMMIM][PF6]), 1-ethyl-3-methylimidazolium hexafluorophosphate ([EMIM][PF6]), and 1-ethyl-2,3-dimethylimidazolium hexafluorophosphate ([EMMIM][PF6]), respectively. Experimentally it has been observed that the substitution of a methyl group for a hydrogen at the C2 position of the cation ring leads to an increase in both the melting point and liquid phase viscosity, contrary to arguments that had been made regarding associations between the ions. The melting points of the four ionic liquids were accurately predicted using simulations, as were the trends in viscosity. The simulation results show that the origin of the effect is mainly entropic, although enthalpy also plays an important role.

  6. Imidazolium-based Block Copolymers as Solid-State Separators for Alkaline Fuel Cells and Lithium Ion Batteries

    NASA Astrophysics Data System (ADS)

    Nykaza, Jacob Richard

    In this study, polymerized ionic liquid (PIL) diblock copolymers were explored as solid-state polymer separators as an anion exchange membrane (AEM) for alkaline fuel cells AFCs and as a solid polymer electrolyte (SPE) for lithium-ion batteries. Polymerized ionic liquid (PIL) block copolymers are a distinct set of block copolymers that combine the properties of both ionic liquids (e.g., high conductivity, high electrochemical stability) and block copolymers (e.g., self-assembly into various nanostructures), which provides the opportunity to design highly conductive robust solid-state electrolytes that can be tuned for various applications including AFCs and lithium-ion batteries via simple anion exchange. A series of bromide conducting PIL diblock copolymers with an undecyl alkyl side chain between the polymer backbone and the imidazolium moiety were first synthesized at various compositions comprising of a PIL component and a non-ionic component. Synthesis was achieved by post-functionalization from its non-ionic precursor PIL diblock copolymer, which was synthesized via the reverse addition fragmentation chain transfer (RAFT) technique. This PIL diblock copolymer with long alkyl side chains resulted in flexible, transparent films with high mechanical strength and high bromide ion conductivity. The conductivity of the PIL diblock copolymer was three times higher than its analogous PIL homopolymer and an order of magnitude higher than a similar PIL diblock copolymer with shorter alkyl side chain length, which was due to the microphase separated morphology, more specifically, water/ion clusters within the PIL microdomains in the hydrated state. Due to the high conductivity and mechanical robustness of this novel PIL block copolymer, its application as both the ionomer and AEM in an AFC was investigated via anion exchange to hydroxide (OH-), where a maximum power density of 29.3 mW cm-1 (60 °C with H2/O2 at 25 psig (172 kPa) backpressure) was achieved. Rotating disk

  7. 21 CFR 582.1193 - Calcium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Calcium chloride. 582.1193 Section 582.1193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE General Purpose...

  8. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Magnesium chloride. 184.1426 Section 184.1426 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS...

  9. 21 CFR 184.1297 - Ferric chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ferric chloride. 184.1297 Section 184.1297 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS...

  10. 21 CFR 184.1297 - Ferric chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ferric chloride. 184.1297 Section 184.1297 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS §...

  11. MERCURIC CHLORIDE CAPTURE BY ALKALINE SORBENTS

    EPA Science Inventory

    The paper gives results of bench-scale mechanistic studies of mercury/sorbent reactions that showed that mercuric chloride (HgC12) is readily adsorbed by alkaline sorbents, which may offers a less expensive alternative to the use of activated carbons. A laboratory-scale, fixed-b...

  12. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Magnesium chloride. 184.1426 Section 184.1426 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS...

  13. 21 CFR 184.1446 - Manganese chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Manganese chloride. 184.1446 Section 184.1446 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS...

  14. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Magnesium chloride. 184.1426 Section 184.1426 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS...

  15. Absorption media for irreversibly gettering thionyl chloride

    DOEpatents

    Buffleben, George; Goods, Steven H.; Shepodd, Timothy; Wheeler, David R.; Whinnery, Jr., LeRoy

    2002-01-01

    Thionyl chloride is a hazardous and reactive chemical used as the liquid cathode in commercial primary batteries. Contrary to previous thinking, ASZM-TEDA.RTM. carbon (Calgon Corporation) reversibly absorbs thionyl chloride. Thus, several candidate materials were examined as irreversible getters for thionyl chloride. The capacity, rate and effect of temperature were also explored. A wide variety of likely materials were investigated through screening experiments focusing on the degree of heat generated by the reaction as well as the material absorption capacity and irreversibility, in order to help narrow the group of possible getter choices. More thorough, quantitative measurements were performed on promising materials. The best performing getter was a mixture of ZnO and ASZM-TEDA.RTM. carbon. In this example, the ZnO reacts with thionyl chloride to form ZnCl.sub.2 and SO.sub.2. The SO.sub.2 is then irreversibly gettered by ASZM-TEDA.RTM. carbon. This combination of ZnO and carbon has a high capacity, is irreversible and functions effectively above -20.degree. C.

  16. Potassium chloride deters Lygus hesperus feeding behavior

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A series of bioassays were conducted to determine the response of adult western tarnished plant bugs, Lygus hesperus Knight (Heteroptera: Miridae), to artificial diets containing potassium chloride (KCl). We first examined the feeding behavior of L. hesperus by direct observation on a single diet c...

  17. 21 CFR 582.5252 - Choline chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Choline chloride. 582.5252 Section 582.5252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients and/or...

  18. 21 CFR 582.5252 - Choline chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Choline chloride. 582.5252 Section 582.5252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients and/or...

  19. 21 CFR 182.8252 - Choline chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Choline chloride. 182.8252 Section 182.8252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8252...

  20. 21 CFR 182.8252 - Choline chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Choline chloride. 182.8252 Section 182.8252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8252...

  1. 21 CFR 582.5252 - Choline chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Choline chloride. 582.5252 Section 582.5252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients and/or...

  2. 21 CFR 182.8252 - Choline chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Choline chloride. 182.8252 Section 182.8252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8252...

  3. 21 CFR 582.5252 - Choline chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Choline chloride. 582.5252 Section 582.5252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients and/or...

  4. 21 CFR 182.8252 - Choline chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Choline chloride. 182.8252 Section 182.8252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8252...

  5. Mercuric chloride (HgCl2)

    Integrated Risk Information System (IRIS)

    Mercuric chloride ( HgCl2 ) ; CASRN 7487 - 94 - 7 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Nonc

  6. 21 CFR 173.255 - Methylene chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Methylene chloride. 173.255 Section 173.255 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Solvents, Lubricants, Release Agents and...

  7. 21 CFR 173.255 - Methylene chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Methylene chloride. 173.255 Section 173.255 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Solvents, Lubricants, Release Agents and...

  8. Controlling chloride ions diffusion in concrete

    PubMed Central

    Zeng, Lunwu; Song, Runxia

    2013-01-01

    The corrosion of steel in concrete is mainly due to the chemical reaction between the chloride ions and iron ions. Indeed, this is a serious threaten for reinforced concrete structure, especially for the reinforced concrete structure in the sea. So it is urgent and important to protect concrete against chloride ions corrosion. In this work, we report multilayer concrete can cloak chloride ions. We formulated five kinds of concrete A, B, C, D and E, which are made of different proportion of cement, sand and glue, and fabricated six-layer (ABACAD) cylinder diffusion cloak and background media E. The simulation results show that the six-layer mass diffusion cloak can protect concrete against chloride ions penetration, while the experiment results show that the concentration gradients are parallel and equal outside the outer circle in the diffusion flux lines, the iso-concentration lines are parallel outside the outer circle, and the concentration gradients in the inner circle are smaller than those outside the outer circle. PMID:24285220

  9. 21 CFR 173.400 - Dimethyldialkylammonium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Dimethyldialkylammonium chloride. 173.400 Section 173.400 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Specific Usage Additives §...

  10. 21 CFR 173.400 - Dimethyldialkylammonium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Dimethyldialkylammonium chloride. 173.400 Section 173.400 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Specific Usage Additives §...

  11. 21 CFR 173.400 - Dimethyldialkylammonium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Dimethyldialkylammonium chloride. 173.400 Section 173.400 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Specific Usage Additives §...

  12. 49 CFR 173.322 - Ethyl chloride.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 2 2013-10-01 2013-10-01 false Ethyl chloride. 173.322 Section 173.322 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS MATERIALS SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION HAZARDOUS MATERIALS REGULATIONS SHIPPERS-GENERAL REQUIREMENTS FOR SHIPMENTS AND PACKAGINGS Gases; Preparation...

  13. 21 CFR 173.375 - Cetylpyridinium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Cetylpyridinium chloride. 173.375 Section 173.375 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Specific Usage Additives §...

  14. 75 FR 19657 - Barium Chloride From China

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-15

    ... Commission found that the domestic interested party group response to its notice of institution (74 FR 31757... COMMISSION Barium Chloride From China AGENCY: United States International Trade Commission. ACTION: Notice of Commission determination to conduct a full five-year review concerning the antidumping duty order on...

  15. 75 FR 20625 - Barium Chloride From China

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-20

    ... established a schedule for the conduct of this review (74 FR 62587, November 30, 2010). Subsequently, counsel... From the Federal Register Online via the Government Publishing Office INTERNATIONAL TRADE COMMISSION Barium Chloride From China AGENCY: United States International Trade Commission. ACTION:...

  16. CLC chloride channels in Caenorhabditis elegans.

    PubMed

    Schriever, A M; Friedrich, T; Pusch, M; Jentsch, T J

    1999-11-26

    The genome of the nematode Caenorhabditis elegans encodes six putative chloride channels (CeCLC-1 through CeCLC-6) that represent all three known branches of the mammalian CLC gene family. Using promoter fragments to drive the expression of the green fluorescent protein, CeCLC-2, -3, and -4 expression was studied in transgenic C. elegans. CeCLC-4 was specifically expressed in the large H-shaped excretory cell, where it was co-expressed with CeCLC-3, which is also expressed in other cells, including neurons, muscles, and epithelial cells. Also, CeCLC-2 was expressed in several cells of the nervous system, intestinal cells, and vulval muscle cells. Similar to mammalian CLC proteins, only two nematode CLC channels elicited detectable plasma membrane currents in Xenopus oocytes. CeCLC-3 currents were inwardly rectifying and were activated by positive prepulses. Its complex gating behavior can be explained by two gates, at least one of which depends on extracellular anions. In this respect it resembles some mammalian chloride channels with which it also shares a preference of chloride over iodide. C. elegans thus provides new opportunities to understand common mechanisms underlying structure and function in CLC channels and will allow for a genetic dissection of chloride channels in this simple model organism. PMID:10567397

  17. 21 CFR 582.5446 - Manganese chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Manganese chloride. 582.5446 Section 582.5446 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients and/or...

  18. 21 CFR 184.1446 - Manganese chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ..., and crystallized. (b) The ingredient meets the specifications of the Food Chemicals Codex, 3d Ed... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Manganese chloride. 184.1446 Section 184.1446 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD...

  19. Hydroxyl-functionalized 1-(2-hydroxyethyl)-3-methyl imidazolium ionic liquids: thermodynamic and structural properties using molecular dynamics simulations and ab initio calculations.

    PubMed

    Fakhraee, Mostafa; Zandkarimi, Borna; Salari, Hadi; Gholami, Mohammad Reza

    2014-12-11

    The influences of hydroxyl functional group (-OH) on the thermodynamic and structural properties of ionic liquids (ILs) composed of 1-(2-Hydroxyethyl)-3-methyl imidazolium ([C2OHmim](+)) cation and the six different conventional anions, including [Cl](-), [NO3](-), [BF4](-), [PF6](-), [TfO](-), and [Tf2N](-) have been extensively investigated using classical molecular dynamics (MD) simulations combined with ab initio calculations over a wide range of temperature (298-550 K). The volumetric thermodynamic properties, enthalpy of vaporization, cohesive energy density, Hildebrand solubility parameter, and heat capacity at constant pressure were estimated at desired temperature. The simulated densities were in good agreement with the experimental data with a slight overestimation. The interionic interaction of selected ILs was also computed using both the MD simulations and ab initio calculations. It was found that the highest association of cation and anion is attributed to [C2OHmim][Cl] followed by [C2OHmim][NO3], and [C2OHmim][Tf2N] with the bulkiest anion has the weakest interionic interaction among chosen ILs. The similar trend of interactions energies was nearly observed from cohesive energy density results. Additional structural details were comprehensively yielded by calculating radial distribution functions (RDFs) and spatial distribution function (SDFs) at 358 K. The most stable configurations of isolated and dimer ion pairs of these ILs were in excellent consistency with RDFs and SDFs results. Significant changes in arrangement of anions around the [C2OHmim](+) cation in comparison with conventional imidazolium-based ILs can be inferred from the MD simulations and ab initio results. Also, microscopic structural properties disclosed that the most strong cation-cation interaction is ascribed to the hydroxyl-functionalized ILs composed of bulkier anions, whereas ILs incorporating [Cl](-) and [NO3](-) anions are mainly involved in cation-anion interactions. The

  20. Physical and Structural Characterization of Imidazolium-Based Organic-Inorganic Hybrid: (C3N2H5)2[CoCl4].

    PubMed

    Piecha-Bisiorek, Anna; Bieńko, Alina; Jakubas, Ryszard; Boča, Roman; Weselski, Marek; Kinzhybalo, Vasyl; Pietraszko, Adam; Wojciechowska, Martyna; Medycki, Wojciech; Kruk, Danuta

    2016-03-31

    (C3N2H5)2[CoCl4] (ICC) was characterized in a wide temperature range by the single-crystal X-ray diffraction method. Differential scanning calorimetry revealed two structural phase transitions: continuous at 245.5 K (from phase I to II) and a discontinuous one at 234/237 K (cooling/heating) (II → III). ICC adopts monoclinic space groups C2/c and P21/c in phase (I) and (III), respectively. The intermediate phase (II) appears to be incommensurately modulated. Dynamic properties of polycrystalline ICC were studied by means of dielectric spectroscopy and proton magnetic resonance ((1)H NMR). The presence of a low frequency dielectric relaxation process in phase III reflects libration motion of the imidazolium cations. The temperature dependence of the (1)H spin-lattice relaxation time indicated two motional processes with similar activation energies that are by about an order of magnitude smaller than the activation energy obtained from dielectric studies. There are no abrupt changes in the (1)H relaxation time at the phase transitions indicating that the dynamics of the imidazolium rings gradually varies with temperature; that is, it does not change suddenly at the phase transition. Negative values of the Weiss constant and the intermolecular exchange parameter were obtained, confirming the presence of a weak antiferromagnetic interaction between the nearest cobalt centers. Moreover, the magnitude of zero field splitting was determined. The AC susceptibility measurements show that a slow magnetic relaxation is induced by small external magnetic field. PMID:26959833

  1. Hydrolysis of ferric chloride in solution

    SciTech Connect

    Lussiez, G.; Beckstead, L.

    1996-11-01

    The Detox{trademark} process uses concentrated ferric chloride and small amounts of catalysts to oxidize organic compounds. It is under consideration for oxidizing transuranic organic wastes. Although the solution is reused extensively, at some point it will reach the acceptable limit of radioactivity or maximum solubility of the radioisotopes. This solution could be cemented, but the volume would be increased substantially because of the poor compatibility of chlorides and cement. A process has been developed that recovers the chloride ions as HCl and either minimizes the volume of radioactive waste or permits recycling of the radioactive chlorides. The process involves a two-step hydrolysis at atmospheric pressure, or preferably under a slight vacuum, and relatively low temperature, about 200{degrees}C. During the first step of the process, hydrolysis occurs according to the reaction below: FeCl{sub 3 liquid} + H{sub 2}O {r_arrow} FeOCl{sub solid} + 2 HCl{sub gas} During the second step, the hot, solid, iron oxychloride is sprayed with water or placed in contact with steam, and hydrolysis proceeds to the iron oxide according to the following reaction: 2 FeOCl{sub solid} + H{sub 2}O {r_arrow} Fe{sub 2}O{sub 3 solid} + 2 HCl{sub gas}. The iron oxide, which contains radioisotopes, can then be disposed of by cementation or encapsulation. Alternately, these chlorides can be washed off of the solids and can then either be recycled or disposed of in some other way.

  2. Investigation of factors influencing chloride extraction efficiency during electrochemical chloride extraction from reinforcing concrete

    NASA Astrophysics Data System (ADS)

    Sharp, Stephen R.

    2005-11-01

    Electrochemical chloride extraction (ECE) is an accelerated bridge restoration method similar to cathodic protection, but operates at higher current densities and utilizes a temporary installation. Both techniques prolong the life of a bridge by reducing the corrosion rate of the reinforcing bar when properly applied. ECE achieves this by moving chlorides away from the reinforcement and out of the concrete while simultaneously increasing the alkalinity of the electrolyte near the reinforcing steel. Despite the proven success, significant use of ECE has not resulted in part due to an incomplete understanding in the following areas: (1) An estimation of the additional service life that can be expected following treatment when the treated member is again subjected to chlorides; (2) The cause of the decrease in current flow and, therefore, chloride removal rate during treatment; (3) Influence of water-to-cement (w/c) ratio and cover depth on the time required for treatment. This dissertation covers the research that is connected to the last two areas listed above. To begin examining these issues, plain carbon steel reinforcing bars (rebar) were embedded in portland cement concrete slabs of varying water-to-cement (w/c) ratios and cover depths, and then exposed to chlorides. A fraction of these slabs had sodium chloride added as an admixture, with all of the slabs subjected to cyclical ponding with a saturated solution of sodium chloride. ECE was then used to remove the chlorides from these slabs while making electrical measurements in the different layers between the rebar (cathode) and the titanium mat (anode) to follow the progress of the ECE process. During this study, it was revealed that the resistance of the outer concrete surface layer increases during ECE, inevitably restricting current flow, while the resistance of the underlying concrete decreases or remains constant. During ECE treatment, a white residue formed on the surface of the concrete. Analyses of the

  3. Aerobic vinyl chloride metabolism in Mycobacterium aurum L1

    SciTech Connect

    Hartmans, S.; Bont, J.A.M. de )

    1992-04-01

    Mycobacterium aurum L1, capable of growth on vinyl chloride as a sole carbon and energy source, was previously isolated from soil contaminated with vinyl chloride. The initial step in vinyl chloride metabolism in strain L1 is catalyzed by alkene monooxygenase, transforming vinyl chloride into the reactive epoxide chlorooxirane. The enzyme responsible for chlorooxirane degradation appeared to be very unstable and thus hampered the characterization of the second step in vinyl chloride metabolism. Dichloroethenes are also oxidized by vinyl chloride-grown cells of strain L1, but they are not utilized as growth substrates. Three additional bacterial strains which utilize vinyl chloride as a sole carbon and energy source were isolated from environments with no known vinyl chloride contamination. The three new isolates were similar to strain L1 and were also identified as Mycobacterium aurum.

  4. Vinyl chloride and polyvinyl chloride: Toxicology. (Latest citations from the Life Sciences Collection database). Published Search

    SciTech Connect

    1995-12-01

    The bibliography contains citations concerning the toxicity of vinyl chloride and polyvinyl chloride following short- and long-term exposure. The citations explore how these compounds are metabolized and consider their carcinogenic and teratogenetic potential. Methodologies to quantitate their presence in atmospheric dust and body tissues are discussed. Occupational hazards are also noted.(Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

  5. Feasibility studies on electrochemical recovery of uranium from solid wastes contaminated with uranium using 1-butyl-3-methylimidazorium chloride as an electrolyte

    NASA Astrophysics Data System (ADS)

    Ohashi, Yusuke; Harada, Masayuki; Asanuma, Noriko; Ikeda, Yasuhisa

    2015-09-01

    In order to examine feasibility of the electrochemical deposition method for recovering uranium from the solid wastes contaminated with uranium using ionic liquid as electrolyte, we have studied the electrochemical behavior of each solution prepared by soaking the spent NaF adsorbents and the steel waste contaminated with uranium in BMICl (1-butyl-3-methyl- imidazolium chloride). The uranyl(VI) species in BMICl solutions were found to be reduced to U(V) irreversibly around -0.8 to -1.3 V vs. Ag/AgCl. The resulting U(V) species is followed by disproportionation to U(VI) and U(IV). Based on the electrochemical data, we have performed potential controlled electrolysis of each solution prepared by soaking the spent NaF adsorbents and steel wastes in BMICl at -1.5 V vs. Ag/AgCl. Black deposit was obtained, and their composition analyses suggest that the deposit is the mixtures of U(IV) and U(VI) compounds containing O, F, Cl, and N elements. From the present study, it is expected that the solid wastes contaminated with uranium can be decontaminated by treating them in BMICl and the dissolved uranium species are recovered electrolytically.

  6. Determination of mercurous chloride and total mercury in mercury ores

    USGS Publications Warehouse

    Fahey, J.J.

    1937-01-01

    A method for the determination of mercurous chloride and total mercury on the same sample is described. The mercury minerals are volatilized in a glass tube and brought into intimate contact with granulated sodium carbonate. The chlorine is fixed as sodium chloride, determined with silver nitrate, and computed to mercurous chloride. The mercury is collected on a previously weighed gold coil and weighed.

  7. 46 CFR 154.1740 - Vinyl chloride: Inhibiting and inerting.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Vinyl chloride: Inhibiting and inerting. 154.1740... Operating Requirements § 154.1740 Vinyl chloride: Inhibiting and inerting. When a vessel is carrying vinyl chloride, the master shall ensure that: (a) Section 154.1818 is met; or (b) Section 154.1710 is met,...

  8. 46 CFR 154.1740 - Vinyl chloride: Inhibiting and inerting.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Vinyl chloride: Inhibiting and inerting. 154.1740... Operating Requirements § 154.1740 Vinyl chloride: Inhibiting and inerting. When a vessel is carrying vinyl chloride, the master shall ensure that: (a) Section 154.1818 is met; or (b) Section 154.1710 is met,...

  9. 46 CFR 154.1740 - Vinyl chloride: Inhibiting and inerting.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Vinyl chloride: Inhibiting and inerting. 154.1740... Operating Requirements § 154.1740 Vinyl chloride: Inhibiting and inerting. When a vessel is carrying vinyl chloride, the master shall ensure that: (a) Section 154.1818 is met; or (b) Section 154.1710 is met,...

  10. 46 CFR 154.1740 - Vinyl chloride: Inhibiting and inerting.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Vinyl chloride: Inhibiting and inerting. 154.1740... Operating Requirements § 154.1740 Vinyl chloride: Inhibiting and inerting. When a vessel is carrying vinyl chloride, the master shall ensure that: (a) Section 154.1818 is met; or (b) Section 154.1710 is met,...

  11. 46 CFR 154.1740 - Vinyl chloride: Inhibiting and inerting.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Vinyl chloride: Inhibiting and inerting. 154.1740... Operating Requirements § 154.1740 Vinyl chloride: Inhibiting and inerting. When a vessel is carrying vinyl chloride, the master shall ensure that: (a) Section 154.1818 is met; or (b) Section 154.1710 is met,...

  12. 21 CFR 520.260 - n-Butyl chloride capsules.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... body weight. Capsules containing 442 milligrams of n-butyl chloride are administered to dogs weighing... 21 Food and Drugs 6 2012-04-01 2012-04-01 false n-Butyl chloride capsules. 520.260 Section 520.260... DRUGS, FEEDS, AND RELATED PRODUCTS ORAL DOSAGE FORM NEW ANIMAL DRUGS § 520.260 n-Butyl chloride...

  13. 21 CFR 520.260 - n-Butyl chloride capsules.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... body weight. Capsules containing 442 milligrams of n-butyl chloride are administered to dogs weighing... 21 Food and Drugs 6 2011-04-01 2011-04-01 false n-Butyl chloride capsules. 520.260 Section 520.260... DRUGS, FEEDS, AND RELATED PRODUCTS ORAL DOSAGE FORM NEW ANIMAL DRUGS § 520.260 n-Butyl chloride...

  14. 21 CFR 520.260 - n-Butyl chloride capsules.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... body weight. Capsules containing 442 milligrams of n-butyl chloride are administered to dogs weighing... 21 Food and Drugs 6 2010-04-01 2010-04-01 false n-Butyl chloride capsules. 520.260 Section 520.260... DRUGS, FEEDS, AND RELATED PRODUCTS ORAL DOSAGE FORM NEW ANIMAL DRUGS § 520.260 n-Butyl chloride...

  15. Making Positive Electrodes For Sodium/Metal Chloride Cells

    NASA Technical Reports Server (NTRS)

    Bugga, Ratnakumar V.; Distefano, Salvador; Bankston, C. Perry

    1992-01-01

    High coulombic yields provided by sodium/metal chloride battery in which cathode formed by impregnating sintered nickel plaque with saturated solution of nickel chloride. Charge/discharge cycling of nickel chloride electrode results in very little loss of capacity. Used in spacecraft, electric land vehicles, and other applications in which high-energy-density power systems required.

  16. Precipitation of metal nitrides from chloride melts

    SciTech Connect

    Slater, S.A.; Miller, W.E.; Willit, J.L.

    1996-12-31

    Precipitation of actinides, lanthanides, and fission products as nitrides from molten chloride melts is being investigated for use as a final cleanup step in treating radioactive salt wastes generated by electrometallurgical processing of spent nuclear fuel. The radioactive components (eg, fission products) need to be removed to reduce the volume of high-level waste that requires disposal. To extract the fission products from the salt, a nitride precipitation process is being developed. The salt waste is first contacted with a molten metal; after equilibrium is reached, a nitride is added to the metal phase. The insoluble nitrides can be recovered and converted to a borosilicate glass after air oxidation. For a bench-scale experimental setup, a crucible was designed to contact the salt and metal phases. Solubility tests were performed with candidate nitrides and metal nitrides for which there are no solubility data. Experiments were performed to assess feasibility of precipitation of metal nitrides from chloride melts.

  17. Benzalkonium chloride. Health hazard evaluation report

    SciTech Connect

    Bernholc, N.M.

    1984-01-01

    Health hazards associated with the use of benzalkonium chlorides (BAC) are reviewed. Benzalkonium chloride is extensively used as a cationic disinfectant. It is found in a great many over-the-counter and prescription eye products, disinfectants, shampoos, and deodorants, and is used in concentrations that range from 0.001 to 0.01% in eyedrops, up to 2.5% in concentrated liquid disinfectants. Solutions of 0.03 to 0.04% BAC may cause temporary eye irritation in humans but are unlikely to cause any skin response except in persons allergic to quaternary ammonium compounds. Inhalation of a vaporized 10% solution of BAC produced a bronchospasmodic reaction in a previously sensitized individual. At present no other human health effects from BAC have been documented or inferred from exposure to such dilute concentrations.

  18. Method for the regeneration of spent molten zinc chloride

    DOEpatents

    Zielke, Clyde W.; Rosenhoover, William A.

    1981-01-01

    In a process for regenerating spent molten zinc chloride which has been used in the hydrocracking of coal or ash-containing polynuclear aromatic hydrocarbonaceous materials derived therefrom and which contains zinc chloride, zinc oxide, zinc oxide complexes and ash-containing carbonaceous residue, by incinerating the spent molten zinc chloride to vaporize the zinc chloride for subsequent condensation to produce a purified molten zinc chloride: an improvement comprising the use of clay in the incineration zone to suppress the vaporization of metals other than zinc. Optionally water is used in conjunction with the clay to further suppress the vaporization of metals other than zinc.

  19. Gasometric titration for dimethylaluminum chloride analysis.

    PubMed

    Wang, Lin; Maligres, Peter; Eckenroad, Kyle; Simmons, Bryon

    2016-06-01

    A gasometric titration method was developed to quantitate active alkylaluminum content in dimethylaluminum chloride solution to perform the stoichiometry calculation for the reaction charge. The procedure was reproducible with good precision, and the results showed good correlation with ICP-MS method. The gasometric titration is a simple, inexpensive alternative to analysis via ICP-MS which provides more selective analysis of methylaluminum species without the need for inertion. PMID:27017569

  20. Radio-Purification of Neodymium Chloride

    SciTech Connect

    Hans, S.; Yeh, M.; Cumming, J. B.; Hahn, R. L.

    2011-04-27

    Organometallic liquid scintillator becomes one of the man detection mediums for neutrino experiment. Liquid-liquid extraction is the method of choice for loading metallic ions of interest into the organic solvents at BNL. High purity of all starting materials is essential for the optimization of synthesis. A newly developed 'self-scavenging' technique was applied to purify undesired radioisotopes from the starting metal compound and found to effectively remove thorium and such containments from the neodymium chloride for SNO+.

  1. A Duplex Stainless Steel for Chloride Environments

    NASA Astrophysics Data System (ADS)

    Sridhar, N.; Kolts, J.; Flasche, L. H.

    1985-03-01

    This paper examines the effects of microstructural changes on the corrosion, stress corrosion cracking and corrosion fatigue resistance of a duplex stainless steel to chloride environments. The microstructural changes can be precipitation of phases such as sigma and carbides, or changes in the distribution of austenite and ferrite. The former can be important in hot forming operations while the latter is important in welding. The methods of minimizing these deleterious effects can sometimes be different from those used for austenitic stainless steel.

  2. Photolysis of aryl chlorides with aliphatic amines

    SciTech Connect

    Bunce, N.J.

    1982-05-07

    Kinetic arguments show that the aliphatic amine assisted photodechlorinations of chlorides of the benzene, naphthalene, and biphenyl series take place mainly from the triplet excited state. Deuterium labeling studies have been used to determine the origin of the hydrogen atom which replaces chlorine when 4-chlorobiphenyl is photoreduced. Three pathways are inferred: hydrogen abstraction from the solvent and protonation both within the exciplex (or radical ion pair) and by external proton donors.

  3. Lattice vibrations in lead bromide and chloride

    NASA Astrophysics Data System (ADS)

    Carabatos-Nédelec, C.; Bréhat, F.; Wyncke, B.

    Lead bromide and lead chloride lattice dynamics studies by polarized IR reflectivity and Raman scattering are reported at room temperature and at 10 K. Reflectivity spectra from 20 to 300 cm -1 have been fitted with a model of the factorized form of the dielectric function. The lattice modes frequencies, damping factors and oscillators strengths are given, as well as the effective charges of the polar modes. The study concludes the ionic character of the compounds.

  4. Manganese laser using manganese chloride as lasant

    NASA Technical Reports Server (NTRS)

    Chen, C. J.

    1974-01-01

    A manganese vapor laser utilizing manganese chloride as a lasant has been observed and investigated. Lasing is attained by means of two consecutive electrical discharges. The maximum laser output is obtained at a vapor pressure of about 3 torr, a temperature of 680 C, and a time delay between electrical discharges of 150 microsec. The maximum energy density is 1.3 microjoule per cu cm.

  5. Removing Chlorides From Metallurgical-Grade Silicon

    NASA Technical Reports Server (NTRS)

    Breneman, W. C.; Coleman, L. M.

    1982-01-01

    Process for making low-cost silicon for solar cells is further improved. Silane product recycled to feed stripper column converts some of heavy impurities to volatile ones that pass off at top of column with light wastes. Impurities--chlorides of arsenic, phosphorus, and boron-would otherwise be carried to subsequent distillations where they would be difficult to remove. Since only a small amount of silane is recycled, silicon production efficiency remains high.

  6. Inactivation of viruses by benzalkonium chloride.

    PubMed

    Armstrong, J A; Froelich, E J

    1964-03-01

    Benzalkonium chloride (as Roccal or Zephiran) was found to inactivate influenza, measles, canine distemper, rabies, fowl laryngotracheitis, vaccinia, Semliki Forest, feline pneumonitis, meningopneumonitis, and herpes simplex viruses after 10 min of exposure at 30 C or at room temperature. Poliovirus and encephalomyocarditis virus were not inactivated under the same conditions. It was concluded that all viruses tested were sensitive except members of the picorna group. The literature was reviewed. PMID:4288740

  7. Inactivation of Viruses by Benzalkonium Chloride

    PubMed Central

    Armstrong, J. A.; Froelich, E. J.

    1964-01-01

    Benzalkonium chloride (as Roccal or Zephiran) was found to inactivate influenza, measles, canine distemper, rabies, fowl laryngotracheitis, vaccinia, Semliki Forest, feline pneumonitis, meningopneumonitis, and herpes simplex viruses after 10 min of exposure at 30 C or at room temperature. Poliovirus and encephalomyocarditis virus were not inactivated under the same conditions. It was concluded that all viruses tested were sensitive except members of the picorna group. The literature was reviewed. PMID:4288740

  8. Boldine action against the stannous chloride effect.

    PubMed

    Reiniger, I W; Ribeiro da Silva, C; Felzenszwalb, I; de Mattos, J C; de Oliveira, J F; da Silva Dantas, F J; Bezerra, R J; Caldeira-de-Araújo, A; Bernardo-Filho, M

    1999-12-15

    Peumus boldus extract has been used in popular medicine in the treatment of biliar litiase, hepatic insufficiency and liver congestion. Its effects are associated to the substance boldine that is present in its extract. In the present work, we evaluated the influence of boldine both in: (i) the structural conformation of a plasmid pUC 9.1 through gel electrophoresis analysis; and in (ii) the survival of the strain of Escherichia coli AB1157 submitted to reactive oxygen species (ROS), generated by a Fenton like reaction, induced by stannous chloride. Our results show a reduction of the lethal effect induced by stannous chloride on the survival of the E. coli culture in the presence of boldine. The supercoiled form of the plasmid is not modified by stannous chloride in the presence of boldine. We suggest that the protection induced by boldine could be explained by its anti-oxidant mechanism. In this way, the boldine could be reacting with stannous ions, protecting them against the oxidation and, consequently, avoiding the generation of ROS. PMID:10624900

  9. Lead chloride crystal growth from boiling solutions

    NASA Astrophysics Data System (ADS)

    Veintemillas-Verdaguer, S.; Rodríguez-Clemente, R.; Torrent-Burgues, J.

    1993-03-01

    Lead chloride single crystals can be grown from boiling solutions using KNO3-H20 solutions as a solvent. Crystals of 1 mm size produced by gel-growth technique were used as seeds. The solubility of PbC12 increases almost linearly with the KNO3 molality being 0.63m in a 7m KNO3 aqueous solutions at 105°C and pH = 2.6; this increase is related to the decrease of the activity coefficient of lead chloride in these solutions. In the first experiments, the supersaturation was attained by solvent extraction, but due to the simultaneous changes in the concentration of the KNO3 mineralizer during the extraction, the growth rate was irregular and defective crystals were obtained. The experimental set-up was therefore modified and a transport technique was added to the system in order to feed the boiling reactor continuously with fresh lead chloride solution. The growth of the crystals takes place at constant concentration of KNO3 in these new conditions. With this experimental modification, isometric PbCI2 crystals of up to lcm size were obtained in three weeks. The observed morphology is close to that calculated by Woensdregt and Hartmann [J. Crystal Growth 87(1988)561].

  10. Pyramidal cells accumulate chloride at seizure onset

    PubMed Central

    Lillis, Kyle P; Kramer, Mark A; Mertz, Jerome; Staley, Kevin J

    2012-01-01

    Seizures are thought to originate from a failure of inhibition to quell hyperactive neural circuits, but the nature of this failure remains unknown. Here we combine high-speed two-photon imaging with electrophysiological recordings to directly evaluate the interaction between populations of interneurons and principal cells during the onset of seizure-like activity in mouse hippocampal slices. Both calcium imaging and dual patch clamp recordings reveal that in vitro seizure-like events (SLEs) are preceded by pre-ictal bursts of activity in which interneurons predominate. Corresponding changes in intracellular chloride concentration were observed in pyramidal cells using the chloride indicator Clomeleon. These changes were measurable at SLE onset and became very large during the SLE. Pharmacological manipulation of GABAergic transmission, either by blocking GABAA receptors or by hyperpolarizing the GABAA reversal potential, converted SLEs to short interictal-like bursts. Together, our results support a model in which pre-ictal GABAA receptor-mediated chloride influx shifts EGABA to produce a positive feedback loop that contributes to the initiation of seizure activity. PMID:22677032

  11. An autopsy case of zinc chloride poisoning.

    PubMed

    Kondo, Takeshi; Takahashi, Motonori; Watanabe, Seiya; Ebina, Masatomo; Mizu, Daisuke; Ariyoshi, Koichi; Asano, Migiwa; Nagasaki, Yasushi; Ueno, Yasuhiro

    2016-07-01

    Ingestion of large amounts of zinc chloride causes corrosive gastroenteritis with vomiting, abdominal pain, and diarrhea. Some individuals experience shock after ingesting large amounts of zinc chloride, resulting in fatality. Here, we present the results of an administrative autopsy performed on a 70-year-old man who ingested zinc chloride solution and died. After drinking the solution, he developed vomiting, abdominal pain, and diarrhea, and called for an ambulance. Except for tachycardia, his vital signs were stable at presentation. However, he developed hypotension and severe metabolic acidosis and died. The patient's blood zinc concentration on arrival was high at 3030μg/dL. Liver cirrhosis with cloudy yellow ascites was observed, however, there were no clear findings of gastrointestinal perforation. The gastric mucosa was gray-brown, with sclerosis present in all gastric wall layers. Zinc staining was strongly positive in all layers. There was almost no postmortem degeneration of the gastric mucosal epithelium, and hypercontracture of the smooth muscle layer was observed. Measurement of the zinc concentration in the organs revealed the highest concentration in the gastric mucosa, followed by the pancreas and spleen. Clinically, corrosive gastroenteritis was the cause of death. However, although autopsy revealed solidification in the esophagus and gastric mucosa, there were no findings in the small or large intestine. Therefore, metabolic acidosis resulting from organ damage was the direct cause of death. PMID:27497327

  12. Understanding microwave vessel contamination by chloride species.

    PubMed

    Recchia, Sandro; Spanu, Davide; Bianchi, Davide; Dossi, Carlo; Pozzi, Andrea; Monticelli, Damiano

    2016-10-01

    Microwaves are widely used to assist digestion, general sample treatment and synthesis. The use of aqua regia is extensively adopted for the closed vessel mineralization of samples prior to trace element detection, leading to the contamination of microwave vessels by chlorine containing species. The latter are entrapped in the polymeric matrix of the vessels, leading to memory effects that are difficult to remove, among which the risk of silver incomplete recoveries by removal of the sparingly soluble chloride is the predominant one. In the present paper, we determined by mass spectrometry that hydrogen chloride is the species entrapped in the polymeric matrix and responsible for vessel contamination. Moreover, several decontamination treatments were considered to assess their efficiency, demonstrating that several cleaning cycles with water, nitric acid or silver nitrate in nitric acid were inefficient in removing chloride contamination (contamination reduction around 90%). Better results (≈95% decrease) were achieved by a single decontamination step in alkaline environment (sodium hydroxide or ammonia). Finally, a thermal treatment in a common laboratory oven (i.e. without vacuum and ventilation) was tested: a one hour heating at 150°C leads to a 98.5% decontamination, a figure higher than the ones obtained by wet treatments which requires comparable time. The latter treatment is a major advancement with respect to existing treatments as it avoids the need of a vacuum oven for at least 17h as presently proposed in the literature. PMID:27474275

  13. Watershed scale chloride storage across a gradient of urbanization

    NASA Astrophysics Data System (ADS)

    Wellen, C. C.; Oswald, C. J.; Oni, S. K.

    2014-12-01

    Sodium chloride is the main de-icing agent used during the winter in Canada and the northern United States. However, little is known about the long term fate, residence time, and ecological effects of chloride. This talk integrates work taking place across three sites in Southern Ontario, Canada: Hamilton Harbour, the Toronto lakeshore, and Lake Simcoe. We quantify chloride inputs, outputs, and changes in storage for a number of watersheds across a gradient of urbanization. For the three winter months (January, February, March), we show that stream water chloride concentrations approach those of brackish waters for urban watersheds. Chloride is also highly persistent, with stream water chloride concentrations decreasing from the winter months and approaching baseline levels only in July. These baseline levels are greater than 100 mg Cl/l in the urban watersheds, suggesting high levels of chloride storage in soil and groundwater. Using road salt application rates and groundwater levels and chloride concentrations, we estimate the magnitude and residence time of the chloride pools in a number of watersheds across a gradient of urbanization. Our results suggest that the magnitude and residence time of chloride storage varies with urbanization and other factors. We show that summer baseflow concentrations do approach the EPA's chronic exposure guideline of 230 mg Cl/l, implying more work is needed to understand the in stream and downstream ecological effects of chloride.

  14. Lipids in Grape Roots in Relation to Chloride Transport 1

    PubMed Central

    Kuiper, Pieter J. C.

    1968-01-01

    A comparison was made between the lipids of the roots of 5 grape rootstocks which differ markedly in the extent to which they permit chloride accumulation in leaves. Monogalactose diglyceride concentration was directly related to chloride accumulation in the leaves of the 5 rootstocks. Phosphatidylcholine and phosphatidylethanolamine were inversely related to chloride accumulation. The variety with the highest chloride accumulation contained an unusually small amount of sterols. A striking negative correlation between content of lignoceric acid and chloride accumulation was observed. The lignoceric acid concentration ranged from 11.9% in the rootstock with the lowest chloride accumulation to 0.8% in the rootstock with the highest chloride accumulation. This fatty acid was found mainly in the phosphatidylcholine and the phosphatidylethanolamine lipid fractions. PMID:16656921

  15. Structure-Antibacterial Activity Relationships of Imidazolium-Type Ionic Liquid Monomers, Poly(ionic liquids) and Poly(ionic liquid) Membranes: Effect of Alkyl Chain Length and Cations.

    PubMed

    Zheng, Zhiqiang; Xu, Qiming; Guo, Jiangna; Qin, Jing; Mao, Hailei; Wang, Bin; Yan, Feng

    2016-05-25

    The structure-antibacterial activity relationship between the small molecular compounds and polymers are still elusive. Here, imidazolium-type ionic liquid (IL) monomers and their corresponding poly(ionic liquids) (PILs) and poly(ionic liquid) membranes were synthesized. The effect of chemical structure, including carbon chain length of substitution at the N3 position and charge density of cations (mono- or bis-imidazolium) on the antimicrobial activities against both Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) was investigated by determination of minimum inhibitory concentration (MIC). The antibacterial activities of both ILs and PILs were improved with the increase of the alkyl chain length and higher charge density (bis-cations) of imidazolium cations. Moreover, PILs exhibited lower MIC values relative to the IL monomers. However, the antibacterial activities of PIL membranes showed no correlation to those of their analogous small molecule IL monomers and PILs, which increased with the charge density (bis-cations) while decreasing with the increase of alkyl chain length. The results indicated that antibacterial property studies on small molecules and homopolymers may not provide a solid basis for evaluating that in corresponding polymer membranes. PMID:27145107

  16. Soft ionization of thermally evaporated hypergolic ionic liquid aerosols

    SciTech Connect

    University of California; ERC, Incorporated, Edwards Air Force Base; Air Force Research Laboratory, Edwards Air Force Base; National Synchrotron Radiation Research Center; Institute of Chemistry, Hebrew University; Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; Vaghjiani, Ghanshyam L.; Leone, Stephen R.

    2011-07-19

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N?]), and a reactive hypergolic ionic liquid, 1-Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca?]), are generated by vaporizing ionic liquid submicron aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N?]ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~;;0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicron aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally ?cooler? source of isolated intact ion pairs in the gas phase compared to effusive sources.

  17. Soft ionization of thermally evaporated hypergolic ionic liquid aerosols

    SciTech Connect

    University of California; ERC, Incorporated, Edwards Air Force Base; Air Force Research Laboratory, Edwards Air Force Base; National Synchrotron Radiation Research Center; Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; L.Vaghjiani, Ghanshyam; Leone, Stephen R.

    2012-03-16

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N?]), and a reactive hypergolic ionic liquid, 1- Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca?]), are generated by vaporizing ionic liquid submicron aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N?] ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~;;0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicron aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally ?cooler? source of isolated intact ion pairs in the gas phase compared to effusive sources.

  18. Kinetics and mass spectrometric measurements of myoglobin unfolding in aqueous ionic liquid solutions.

    PubMed

    Miller, Miranda C; Hanna, Sylvia L; DeFrates, Kelsey G; Fiebig, Olivia C; Vaden, Timothy D

    2016-04-01

    Recent studies have characterized the effects of aqueous ionic liquids on myoglobin unfolding for the broader purposes of understanding their effects on protein structures, stabilities, and ultimately biocompatibilities for future applications. Here, we investigated the effects of four different ionic liquids (ILs) on the thermal stability, unfolding kinetics, and tertiary shape of myoglobin. We compared results for four different ILs: 1-butyl-3-methyl imidazolium tetrafluoroborate (BMIBF4); 1-butyl-3-methyl pyrrolidinium tetrafluoroborate (PyrrBF4); 1-ethyl-3-methyl imidazolium acetate (EMIAc); and tetramethylguanidinium acetate (TMGAc). Results showed that ILs accelerate myoglobin unfolding kinetics both through aqueous solution ionic strength effects and ionic liquid-specific effects. Arrhenius plots of observed rate constants reveal that some ILs lower the energy barrier to unfolding, possibly by destabilizing the native protein state. The magnitude of these ionic liquid effects correlates with their effects on protein thermodynamic stabilities. Hydrogen-deuterium exchange (HDX) experiments using ESI-MS showed that myoglobin exhibits a more open, and presumably less stable, tertiary shape in aqueous IL solutions. Overall, BMIBF4 and TMGAc exhibit the strongest effect on the myoglobin stability, unfolding rate, and tertiary structure while PyrrBF4 and EMIAc have weaker effects under our experimental conditions. PMID:26751398

  19. On the computation and contribution of conductivity in molecular ionic liquids

    NASA Astrophysics Data System (ADS)

    Schröder, C.; Haberler, M.; Steinhauser, O.

    2008-04-01

    In this study we present the results of the molecular dynamics simulation of the ionic liquids: 1-butyl-3-methyl-imidazolium tetrafluoroborate and trifluoromethylacetate as well as 1-ethyl-3-methyl-imidazolium dicyanamide. Ionic liquids are characterized by both a molecular dipole moment and a net charge. Thus, in contrast to a solution of simple ions in a (non-) polar solvent, rotational and translational effects influence the very same molecule. This study works out the theoretical framework necessary to compute the conductivity spectrum and its low frequency limit of ionic liquids. Merging these computed conductivity spectra with previous simulation results on the dielectric spectra of ionic liquids yields the spectrum of the generalized dielectric constant, which may be compared to experiments. This spectrum was calculated for the three ionic liquids over six orders of magnitude in frequency ranging from 10MHz to 50THz. The role of rotation and translation and their coupling term on the generalized dielectric constant is discussed in detail with a special emphasis on the zero-frequency limit. Thereby, the frequency dependence of the cross correlation between the collective rotational dipole moment and the current is discussed.

  20. Physical Absorption Of CO2 in Protic and Aprotic Ionic Liquids: An Interaction Perspective.

    PubMed

    Izgorodina, Ekaterina I; Hodgson, Jennifer L; Weis, Derick C; Pas, Steven J; MacFarlane, Douglas R

    2015-09-01

    The physical absorption of CO2 by protic and aprotic ionic liquids such as 1-ethyl-3-methyl-imidazolium tetrafluoroborate was examined at the molecular level using symmetry adapted perturbation theory (SAPT) and density functional techniques through comparison of interaction energies of noncovalently bound complexes between the CO2 molecule and a series of ionic liquid ions and ion pairs. These energies were contrasted with those for complexes with model amines such as methylamine, dimethylamine, and trimethylamine. Detailed analysis of the five fundamental forces that are responsible for stabilization of the complexes is discussed. It was confirmed that the nature of the anion had a greater effect upon the physical interaction energy in non functionalized ionic liquids, with dispersion forces playing an important role in CO2 solubility. Hydrogen bonding with protic cations was shown to impart additional stability to the noncovalently bound CO2···IL complex through inductive forces. Two solvation models, the conductor-like polarizable continuum model (CPCM) and the universal solvation model (SMD), were used to estimate the impact of solvent effects on the CO2 binding. Both solvent models reduced interaction energies for all types of ions. These interaction energies appeared to favor imidazolium cations and carboxylic and sulfonic groups as well as bulky groups (e.g., NTf2) in anions for the physical absorption of CO2. The structure-reactivity relationships determined in this study may help in the optimization of the physical absorption process by means of ionic liquids. PMID:26267781

  1. 40 CFR 61.64 - Emission standard for polyvinyl chloride plants.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... Standard for Vinyl Chloride § 61.64 Emission standard for polyvinyl chloride plants. An owner or operator...) Reactor. The following requirements apply to reactors: (1) The concentration of vinyl chloride in each... is not to exceed 0.02 g vinyl chloride/kg (0.04 lb vinyl chloride/ton) of polyvinyl chloride...

  2. 40 CFR 61.64 - Emission standard for polyvinyl chloride plants.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... Standard for Vinyl Chloride § 61.64 Emission standard for polyvinyl chloride plants. An owner or operator...) Reactor. The following requirements apply to reactors: (1) The concentration of vinyl chloride in each... is not to exceed 0.02 g vinyl chloride/kg (0.04 lb vinyl chloride/ton) of polyvinyl chloride...

  3. 40 CFR 61.64 - Emission standard for polyvinyl chloride plants.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... Standard for Vinyl Chloride § 61.64 Emission standard for polyvinyl chloride plants. An owner or operator...) Reactor. The following requirements apply to reactors: (1) The concentration of vinyl chloride in each... is not to exceed 0.02 g vinyl chloride/kg (0.04 lb vinyl chloride/ton) of polyvinyl chloride...

  4. Properties of a new liquid desiccant solution - Lithium chloride and calcium chloride mixture

    SciTech Connect

    Ertas, A.; Anderson, E.E.; Kiris, I. )

    1992-09-01

    Desiccants, broadly classified as solid and liquid desiccants, have the property of extracting and retaining moisture from air brought into contact with them. By using either type, moisture in the air is removed and the resulting dry air can be used for air-conditioning or drying purposes. Because of its properties, lithium chloride is the most stable liquid desiccant and has a large dehydration concentration (30% to 45%), but its cost is relatively high ($9.00-13.00 per kg). It is expected that lithium chloride will reduce the relative humidity to as low as 15%. Calcium chloride is the cheapest (45 cents per kg) and most readily available desiccant, but it has the disadvantage of being unstable depending on the air inlet conditions and the concentration of the desiccant in the solution. To stabilize calcium chloride and to decrease the high cost of lithium chloride, the two can be mixed in different weight combinations. The main objective of this research is to measure the physical properties of different combinations of this mixture such as density, viscosity, and vapor pressure which are necessary for analysis of heat and mass transfer in a packed tower desiccant-air contact system. The solubility of this new liquid desiccant under certain temperature-concentrations will also be studied.

  5. Solution-Derived, Chloride-Containing Minerals as a Waste Form for Alkali Chlorides

    SciTech Connect

    Riley, Brian J.; Crum, Jarrod V.; Matyas, Josef; McCloy, John S.; Lepry, William C.

    2012-10-01

    Sodalite [Na8(AlSiO4)6Cl2] and cancrinite [(Na,K)6Ca2Al6Si6O24Cl4] are environmentally stable, chloride-containing minerals and are a logical waste form option for the mixed alkali chloride salt waste stream that is generated from a proposed electrochemical separations process during nuclear fuel reprocessing. Due to the volatility of chloride salts at moderate temperatures, the ideal processing route for these salts is a low-temperature approach such as the sol-gel process. The sodalite structure can be easily synthesized by the sol-gel process; however, it is produced in the form of a fine powder with particle sizes on the order of 1–10 µm. Due to the small particle size, these powders require additional treatment to form a monolith. In this study, the sol-gel powders were pressed into pellets and fired to achieve > 90% of theoretical density. The cancrinite structure, identified as the best candidate mineral form in terms of waste loading capacity, was only produced on a limited basis following the sol-gel process and converted to sodalite upon firing. Here we discuss the sol-gel process specifics, chemical durability of select waste forms, and the steps taken to maximize chloride-containing phases, decrease chloride loss during pellet firing, and increase pellet densities.

  6. Identification of the different sources of chlorides in streams by regression analysis using chloride-discharge relationships

    SciTech Connect

    Albek, E.

    1999-12-01

    Chloride-discharge relationships at several stations on Turkish streams are investigated, both qualitatively and quantitatively, to identify natural and anthropogenic sources of chloride. Simple expressions are used to distinguish among sources. Linear regression analysis is conducted to estimate parameters of the models. Five groups of stations are distinguished respective to different sources of chloride and change of chloride concentration with stream discharge. Emphasis is placed on the identification of anthropogenic sources of chloride to aid in water pollution control strategies. The polluted Sakarya River and its primary tributary, the Porsuk Stream, are studied in detail to trace chloride behavior along the waterway and to assess the level of pollution from cities discharging to the streams. Among natural sources of chloride, evaporite sediment sources are examined in detail.

  7. Crystal structures of salicylideneguanylhydrazinium chloride and its copper(II) and cobalt(III) chloride complexes

    SciTech Connect

    Chumakov, Yu. M. Tsapkov, V. I.; Bocelli, G.; Antosyak, B. Ya.; Shova, S. G.; Gulea, A. P.

    2006-01-15

    The crystal structures of salicylideneguanylhydrazinium chloride hydrate hemiethanol solvate (I), salicylideneguanylhydrazinium trichloroaquacuprate(II) (II), and bis(salicylideneguanylhydrazino)cobalt(III) chloride trihydrate (III) are determined using X-ray diffraction. The structures of compounds I, II, and III are solved by direct methods and refined using the least-squares procedure in the anisotropic approximation for the non-hydrogen atoms to the final factors R = 0.0597, 0.0212, and 0.0283, respectively. In the structure of compound I, the monoprotonated molecules and chlorine ions linked by hydrogen bonds form layers aligned parallel to the (010) plane. In the structure of compound II, the salicylaldehyde guanylhydrazone cations and polymer chains consisting of trichloroaquacuprate(II) anions are joined by an extended three-dimensional network of hydrogen bonds. In the structure of compound III, the [Co(LH){sub 2}]{sup +} cations, chloride ions, and molecules of crystallization water are linked together by a similar network.

  8. Carcinogenicity and epidemiological profile analysis of vinyl chloride and polyvinyl chloride

    SciTech Connect

    Kalmaz, E.E.; Kalmaz, G.D.

    1984-03-01

    The carcinogenicity of vinyl chloride and polyvinyl chloride (VC/PVC) is reviewed with specific attention to the gaps in knowledge for risk estimation and epidemiological presentation of the available data. Although experimental studies have demonstrated the carcinogenicity and mutagenicity of VC/PVC in general, the epidemiologic studies available for review do not include an assessment of carcinogenic risk among humans exposed to these chemicals. This conclusion is based on the observation that the majority of cohort studies reviewed lacked sufficient statistical power because of small sample sizes. Further, in epidemiological studies, individuals were not followed over an adequate period of time during which cancer could become clinically manifest.

  9. Twenty years of fluorescence imaging of intracellular chloride

    PubMed Central

    Arosio, Daniele; Ratto, Gian Michele

    2014-01-01

    Chloride homeostasis has a pivotal role in controlling neuronal excitability in the adult brain and during development. The intracellular concentration of chloride is regulated by the dynamic equilibrium between passive fluxes through membrane conductances and the active transport mediated by importers and exporters. In cortical neurons, chloride fluxes are coupled to network activity by the opening of the ionotropic GABAA receptors that provides a direct link between the activity of interneurons and chloride fluxes. These molecular mechanisms are not evenly distributed and regulated over the neuron surface and this fact can lead to a compartmentalized control of the intracellular concentration of chloride. The inhibitory drive provided by the activity of the GABAA receptors depends on the direction and strength of the associated currents, which are ultimately dictated by the gradient of chloride, the main charge carrier flowing through the GABAA channel. Thus, the intracellular distribution of chloride determines the local strength of ionotropic inhibition and influences the interaction between converging excitation and inhibition. The importance of chloride regulation is also underlined by its involvement in several brain pathologies, including epilepsy and disorders of the autistic spectra. The full comprehension of the physiological meaning of GABAergic activity on neurons requires the measurement of the spatiotemporal dynamics of chloride fluxes across the membrane. Nowadays, there are several available tools for the task, and both synthetic and genetically encoded indicators have been successfully used for chloride imaging. Here, we will review the available sensors analyzing their properties and outlining desirable future developments. PMID:25221475

  10. Biochemical toxicity and DNA damage of imidazolium-based ionic liquid with different anions in soil on Vicia faba seedlings

    PubMed Central

    Liu, Tong; Zhu, Lusheng; Wang, Jinhua; Wang, Jun; Zhang, Jun; Sun, Xi; Zhang, Cheng

    2015-01-01

    In the present study, the toxic effects of 1-octyl-3-methylimidazolium chloride ([Omim]Cl), 1-octyl-3-methylimidazolium bromide ([Omim]Br) and 1-octyl-3-methylimidazolium tetrafluoroborate ([Omim]BF4) in soil on Vicia faba (V. faba) seedlings at 0, 100, 200, 400, 600 and 800 mg kg−1 were assessed for the first time at the cellular and molecular level. Moreover, the toxicity of these three ionic liquids (ILs) was evaluated, and the influence of anions on the toxicity of the ILs was assessed. The results showed that even at 100 mg kg−1, the growth of V. faba seedlings was inhibited after exposure to the three ILs, and the inhibitory effect was enhanced with increasing concentrations of the three ILs. The level of reactive oxygen species (ROS) was increased after exposure to the three ILs, which resulted in lipid peroxidation, DNA damage and oxidative damage in the cells of the V. faba seedlings. In addition, the anion structure could influence the toxicity of ILs, and toxicity of the three tested ILs decreased in the following order: [Omim]BF4 > [Omim]Br > [Omim]Cl. Moreover, oxidative damage is the primary mechanism by which ILs exert toxic effects on crops, and ILs could reduce the agricultural productivity. PMID:26675424

  11. Biochemical toxicity and DNA damage of imidazolium-based ionic liquid with different anions in soil on Vicia faba seedlings

    NASA Astrophysics Data System (ADS)

    Liu, Tong; Zhu, Lusheng; Wang, Jinhua; Wang, Jun; Zhang, Jun; Sun, Xi; Zhang, Cheng

    2015-12-01

    In the present study, the toxic effects of 1-octyl-3-methylimidazolium chloride ([Omim]Cl), 1-octyl-3-methylimidazolium bromide ([Omim]Br) and 1-octyl-3-methylimidazolium tetrafluoroborate ([Omim]BF4) in soil on Vicia faba (V. faba) seedlings at 0, 100, 200, 400, 600 and 800 mg kg-1 were assessed for the first time at the cellular and molecular level. Moreover, the toxicity of these three ionic liquids (ILs) was evaluated, and the influence of anions on the toxicity of the ILs was assessed. The results showed that even at 100 mg kg-1, the growth of V. faba seedlings was inhibited after exposure to the three ILs, and the inhibitory effect was enhanced with increasing concentrations of the three ILs. The level of reactive oxygen species (ROS) was increased after exposure to the three ILs, which resulted in lipid peroxidation, DNA damage and oxidative damage in the cells of the V. faba seedlings. In addition, the anion structure could influence the toxicity of ILs, and toxicity of the three tested ILs decreased in the following order: [Omim]BF4 > [Omim]Br > [Omim]Cl. Moreover, oxidative damage is the primary mechanism by which ILs exert toxic effects on crops, and ILs could reduce the agricultural productivity.

  12. Biochemical toxicity and DNA damage of imidazolium-based ionic liquid with different anions in soil on Vicia faba seedlings.

    PubMed

    Liu, Tong; Zhu, Lusheng; Wang, Jinhua; Wang, Jun; Zhang, Jun; Sun, Xi; Zhang, Cheng

    2015-01-01

    In the present study, the toxic effects of 1-octyl-3-methylimidazolium chloride ([Omim]Cl), 1-octyl-3-methylimidazolium bromide ([Omim]Br) and 1-octyl-3-methylimidazolium tetrafluoroborate ([Omim]BF4) in soil on Vicia faba (V. faba) seedlings at 0, 100, 200, 400, 600 and 800 mg kg(-1) were assessed for the first time at the cellular and molecular level. Moreover, the toxicity of these three ionic liquids (ILs) was evaluated, and the influence of anions on the toxicity of the ILs was assessed. The results showed that even at 100 mg kg(-1), the growth of V. faba seedlings was inhibited after exposure to the three ILs, and the inhibitory effect was enhanced with increasing concentrations of the three ILs. The level of reactive oxygen species (ROS) was increased after exposure to the three ILs, which resulted in lipid peroxidation, DNA damage and oxidative damage in the cells of the V. faba seedlings. In addition, the anion structure could influence the toxicity of ILs, and toxicity of the three tested ILs decreased in the following order: [Omim]BF4 > [Omim]Br > [Omim]Cl. Moreover, oxidative damage is the primary mechanism by which ILs exert toxic effects on crops, and ILs could reduce the agricultural productivity. PMID:26675424

  13. REMOVAL OF CHLORIDE FROM AQUEOUS SOLUTIONS

    DOEpatents

    Hyman, M.L.; Savolainen, J.E.

    1960-01-01

    A method is given for dissolving reactor fuel elements in which the uranium is associated with a relatively inert chromium-containing alloy such as stainless steel. An aqueous mixture of acids comprising 2 to 2.5 molar hydrochloric acid and 4 to 8 molar nitric acid is employed in dissolving the fuel element. In order io reduce corrosion in subsequent processing of the resulting solution, chloride values are removed from the solution by contacting it with concentrated nitric acid at an elevated temperature.

  14. Potentiometric determination of anhydrous aluminum chloride

    SciTech Connect

    Kofman, A.G.; Chernysh, G.V.; Vorozhtsov, G.N.

    1987-12-20

    Anhydrous aluminum chloride is a strong Lewis acid, widely used as a catalyst, in the synthesis and analysis of organic products. The aim of this article is to develop a potentiometric method of determining anhydrous AlCl/sub 3/. To estimate the validity of the results of the determination, use was made of French, Japanese, and Soviet samples of AlCl/sub 3/ with a known content of the main substance. The titration was performed in ethylene glycol. The procedure makes it possible to investigate the activity of AlCl/sub 3/ as a catalyst in different organic solvents

  15. Anodic Behavior of Alloy 22 in Calcium Chloride and in Calcium Chloride Plus Calcium Nitrate Brines

    SciTech Connect

    Evans, K J; Day, S D; Ilevbare, G O; Whalen, M T; King, K J; Hust, G A; Wong, L L; Estill, J C; Rebak, R B

    2003-05-13

    Alloy 22 (UNS N60622) is a nickel-based alloy, which is extensively used in aggressive industrial applications, especially due to its resistance to localized corrosion and stress corrosion cracking in high chloride environments. The purpose of this work was to characterize the anodic behavior of Alloy 22 in concentrated calcium chloride (CaCl{sub 2}) brines and to evaluate the inhibitive effect of nitrate, especially to localized corrosion. Standard electrochemical tests such as polarization resistance and cyclic polarization were used. Results show that the corrosion potential of Alloy 22 was approximately -360 mV in the silver-silver chloride (SSC) scale and independent of the tested temperature. Cyclic polarization tests showed that Alloy 22 was mainly susceptible to localized attack in 5 M CaCl{sub 2} at 75 C and higher temperatures. The addition of nitrate in a molar ratio of chloride to nitrate equal to 10 increased the onset of localized corrosion to approximately 105 C. The addition of nitrate to the solution also decreased the uniform corrosion rate and the passive current of the alloy.

  16. Toxicity of vinyl chloride and poly(vinyl chloride): a critical review.

    PubMed Central

    Wagoner, J K

    1983-01-01

    In 1974, vinyl chloride (VC) was first reported in the open scientific literature to induce angiosarcoma of the liver both in humans and in animals. Additional research has now demonstrated the carcinogenicity of VC to other organs and at lower concentrations. The target organs for VC now clearly include the liver, brain and the lung, and probably the lymphohematopoietic system. The evidence for a carcinogenic risk has been extended to jobs associated with poly(vinyl chloride) exposure. Cases of liver angiosarcoma have been reported among individuals employed in PVC fabrication facilities and an epidemiological study has demonstrated a significant association between exposure to PVC dust and the risk of lung cancer mortality. Cases of angiosarcoma of the liver also have been reported among individuals living in near proximity to vinyl chloride-poly(vinyl chloride) plants. An association between PVC dust and pneumoconiosis also has been demonstrated. On the basis of findings, prudent control of PVC dust in the industrial setting is indicated. PMID:6360677

  17. Gemini Surfactants Based on Bis-Imidazolium Alkoxy Derivatives as Effective Agents for Delivery of Nucleic Acids: A Structural and Spectroscopic Study.

    PubMed

    Pietralik, Zuzanna; Kołodziejska, Żaneta; Weiss, Marek; Kozak, Maciej

    2015-01-01

    The success rate of gene therapy depends on the efficient transfection of genetic material into cells. The golden mean between harmlessness and high effectiveness can be provided by synthetic lipid-like molecules that are similar to the components of biological membranes. Cationic gemini surfactants are one such moiety and because of their favourable physicochemical properties (double positive electric charge, reduced toxicity, low values of critical micelle concentration), they show great potential as delivery system components for genetic material in gene therapy. The aim of this study was to investigate the process of the complexation of cationic gemini surfactants with nucleic acids: double-stranded DNA of different sizes (21 bp, ~185 bp, ~20 kbp) and siRNA (21 bp). The tested series of dicationic surfactants consists of bis-imidazolium quaternary salts with varying lengths of hydrophobic side chains (m = 5, 6, 7, 8, 9, 11, 12, 14, 16). On the basis of the data obtained by circular dichroism spectroscopy and electrophoresis, we concluded that the studied gemini surfactants with long side chains effectively bind nucleic acids at low concentrations, which leads to the formation of stable lipoplexes. Images obtained by atomic force microscopy also confirmed the formation of vesicular structures, i.e., complexes between DNA and surfactants. The cytotoxicity of selected surfactants was also tested on HeLa cells. The surfactant toxicity significantly depends on surfactant geometry (the length of hydrophobic chain). PMID:26641889

  18. Anion and cation effects on the size control of Au nanoparticles prepared by sputter deposition in imidazolium-based ionic liquids.

    PubMed

    Hatakeyama, Yoshikiyo; Judai, Ken; Onishi, Kei; Takahashi, Satoshi; Kimura, Satoshi; Nishikawa, Keiko

    2016-01-28

    The sputter deposition of metals in an ionic liquid (IL) capture medium is a simple and elegant method for preparing nanoparticles without any chemical reaction. Although there have been some reports on the size determination factors for Au nanoparticles (AuNPs) prepared using this method, the effects with respect to the type of IL used have not been clearly elucidated. This is because there are some complicating factors, some of which have been revealed by our previous systematic studies. In the present study, we prepare AuNPs in nine types of imidazolium-based IL to examine the size determination effects of the type of anion involved, the length of the alkyl chain of the cation, and the preparation temperature for each IL, while keeping other factors constant. For most of the capture media ILs, the sizes of the AuNPs increase with an increase in temperature. The AuNPs prepared in ILs containing different types of anions exhibit distinctly different particle sizes and temperature dependences. Conversely, the alkyl chain is regarded as a secondary stabilizer that works only at higher preparation temperatures. We conclude that the sizes of AuNPs prepared by this method may be determined by the competition between the collision frequency of the ejected Au atoms and the stabilizing capability of the anions that form the first coordination shell around the AuNPs. The AuNP sizes are closely related to the volume of anions. PMID:26344691

  19. N, N′-Olefin Functionalized Bis-Imidazolium Gold(I) Salt Is an Efficient Candidate to Control Keratitis-Associated Eye Infection

    PubMed Central

    Samanta, Tapastaru; Roymahapatra, Gourisankar; Porto, William F.; Seth, Saikat; Ghorai, Sudipta; Saha, Suman; Sengupta, Jayangshu; Franco, Octávio L.; Dinda, Joydev; Mandal, Santi M.

    2013-01-01

    Keratitis treatment has become more complicated due to the emergence of bacterial or fungal pathogens with enhanced antibiotic resistance. The pharmaceutical applications of N-heterocyclic carbene complexes have received remarkable attention due to their antimicrobial properties. In this paper, the new precursor, 3,3′-(p-phenylenedimethylene) bis{1-(2- methyl-allyl)imidazolium} bromide (1a) and its analogous PF6 salt (1b) were synthesized. Furthermore, silver(I) and gold(I) -N-heterocyclic carbene (NHC) complexes [Ag2LBr2/Au2LBr2; 2a/3a], [(Ag2L2)(PF6)2/(Au2L2)(PF6)2; 2b/3b] were developed from their corresponding ligands. All compounds were screened for their antimicrobial activities against multiple keratitis-associated human eye pathogens, including bacteria and fungi. Complexes 2a and 3a showed highest activity, and the effectiveness of 3a was also studied, focusing eradication of pathogen biofilm. Furthermore, the structures of 1a, 2a and 3b were determined using single crystal X-ray analysis, 2b and 3a were optimized theoretically. The mechanism of action of 3a was evaluated by scanning electron microscopy and docking experiments, suggesting that its target is the cell membrane. In summary, 3a may be helpful in developing antimicrobial therapies in patients suffering from keratitis-associated eye infections caused by multidrug-resistant pathogens. PMID:23554886

  20. Novel imidazolium-embedded N,N-dimethylaminopropyl-functionalized silica-based stationary phase for hydrophilic interaction/reversed-phase mixed-mode chromatography.

    PubMed

    Liu, Shijia; Xu, Hongxin; Yu, Jiaojiao; Li, Danyang; Li, Mingyan; Qiao, Xiaoqiang; Qin, Xinying; Yan, Hongyuan

    2015-12-01

    A novel imidazolium-embedded N,N-dimethylaminopropyl-functionalized silica-based stationary phase (Sil-ImCl) was prepared and further used for hydrophilic interaction/reversed-phase mixed-mode chromatography. The Sil-ImCl stationary phase was respectively characterized by Fourier transform infrared spectrometry, thermogravimetric analysis, and element analysis. A variety of hydrophilic or hydrophobic compounds were used to evaluate the retention mechanisms of the developed stationary phase, and the effects of buffer salt concentration and pH of mobile phase on the retention of these compounds were also investigated. The developed stationary phase was successfully applied for separation of nucleosides and nucleic acid bases, water-soluble vitamins, phenols, and positional isomers. Moreover, simultaneous separation of polar and nonpolar compounds was also achieved with high resolution, outperforming the commercially available C8 column and amino column. Furthermore, the Sil-ImCl stationary phase has been successfully applied for separation of secondary metabolites of Hansfordia sinuosae. All these results demonstrate that the Sil-ImCl stationary phase might be promising for separation of complex polar and nonpolar compounds with high efficiency, especially in biological industry. PMID:26427503

  1. Gemini Surfactants Based on Bis-Imidazolium Alkoxy Derivatives as Effective Agents for Delivery of Nucleic Acids: A Structural and Spectroscopic Study

    PubMed Central

    Pietralik, Zuzanna; Kołodziejska, Żaneta; Weiss, Marek; Kozak, Maciej

    2015-01-01

    The success rate of gene therapy depends on the efficient transfection of genetic material into cells. The golden mean between harmlessness and high effectiveness can be provided by synthetic lipid-like molecules that are similar to the components of biological membranes. Cationic gemini surfactants are one such moiety and because of their favourable physicochemical properties (double positive electric charge, reduced toxicity, low values of critical micelle concentration), they show great potential as delivery system components for genetic material in gene therapy. The aim of this study was to investigate the process of the complexation of cationic gemini surfactants with nucleic acids: double-stranded DNA of different sizes (21 bp, ~185 bp, ~20 kbp) and siRNA (21 bp). The tested series of dicationic surfactants consists of bis-imidazolium quaternary salts with varying lengths of hydrophobic side chains (m = 5, 6, 7, 8, 9, 11, 12, 14, 16). On the basis of the data obtained by circular dichroism spectroscopy and electrophoresis, we concluded that the studied gemini surfactants with long side chains effectively bind nucleic acids at low concentrations, which leads to the formation of stable lipoplexes. Images obtained by atomic force microscopy also confirmed the formation of vesicular structures, i.e., complexes between DNA and surfactants. The cytotoxicity of selected surfactants was also tested on HeLa cells. The surfactant toxicity significantly depends on surfactant geometry (the length of hydrophobic chain). PMID:26641889

  2. Interactional behavior of the polyelectrolyte poly sodium 4-styrene sulphonate (NaPSS) with imidazolium based surface active ionic liquids in an aqueous medium.

    PubMed

    Sharma, Renu; Kamal, Ajar; Kang, Tejwant Singh; Mahajan, Rakesh Kumar

    2015-09-28

    The present study aims to develop an understanding of the interactions between an anionic polyelectrolyte, poly sodium 4-styrene sulphonate (NaPSS), and cationic surface active imidazolium based ionic liquids (SAILs), [Cnmim][Cl] (n = 10, 12, 14) using a multi-technique approach. Various physicochemical and electrochemical techniques such as surface tension, conductivity, fluorescence, isothermal titration calorimetry (ITC), dynamic light scattering (DLS), turbidity, potentiometry, cyclic voltammetry (CV), and differential pulse voltammetry (DPV) are employed to obtain comprehensive information about NaPSS-SAIL interactions. Different stages of interaction, corresponding to the critical aggregation concentration (cac), critical saturation concentration (Cs) and critical micelle concentration (cmc) have been observed owing to the strong electrostatic and hydrophobic interactions, and the results obtained from different techniques complement each other very well. The results extracted from DLS and turbidity measurements clearly indicated that the size of the micelle like aggregates first decreases and then increases in the presence of polyelectrolyte. The binding isotherms obtained using potentiometry show a concentration dependence and the highly co-operative nature of the interactions which is attributed to aggregation of the polyelectrolyte-SAIL complexes. The diffusion coefficients (Dm) of the electroactive probe in the pure and NaPSS-SAIL mixed systems were obtained, which were further used to obtain the values of the micellar self-diffusion coefficients (D) and inter-micellar interaction parameters (kd). PMID:26300416

  3. Structure and aggregation in the 1,3-dialkyl-imidazolium bis(trifluoromethylsulfonyl)imide ionic liquid family: 2. From single to double long alkyl side chains.

    PubMed

    Bernardes, Carlos E S; Shimizu, Karina; Lobo Ferreira, Ana I M C; Santos, Luís M N B F; Canongia Lopes, José N

    2014-06-19

    A systematic molecular dynamics study using large simulation boxes has been performed in order to extend the analysis of the mesoscopic segregation behavior observed in ionic liquids of the 1,3-dialkyl-imidazolium bis(trifluoromethylsulfonyl)imide homologous series, [C(n)C(mim)][Ntf2] (2 ≤ n ≤ 10, 2 ≤ m ≤ n). The analyses include the discussion of the structure factors, S(q), in the low-q range (1.6 ≤ q/nm(-1) ≤ 20); the confirmation of the periodicity of the polar network of the ionic liquid and its relation to the so-called intermediate peaks; and the characterization of the polar network and the nonpolar regions that are formed along the series using aggregate analyses by means of five different statistical tools. The analyses confirmed that the percolation of the nonpolar regions into a continuous domain occurs when the total number of carbon atoms in the alkyl chains exceeds six but that this is not a sufficient condition for the emergence of a distinct and intense prepeak. The existence of such a peak also requires that the longer alkyl chain contains more than a critical alkyl length (CAL) of five carbon atoms. PMID:24873822

  4. Preparing alkaline anion exchange membrane with enhanced hydroxide conductivity via blending imidazolium-functionalized and sulfonated poly(ether ether ketone)

    NASA Astrophysics Data System (ADS)

    Li, Zhen; Jiang, Zhongyi; Tian, Huimin; Wang, Siwen; Zhang, Bei; Cao, Ying; He, Guangwei; Li, Zongyu; Wu, Hong

    2015-08-01

    The development of alkaline anion exchange membrane (AEM) with both high ion conductivity and stabilities is of great significance for fuel cell applications. In this study, a facile acid-base blending method is designed to improve AEM performances. Basic imidazolium-functionalized poly (ether ether ketone) with a high functionalization degree is employed as polymer matrix to pursue high ion-exchange capacity (IEC) as well as high hydroxide conductivity, meanwhile acidic sulfonated poly (ether ether ketone) (SPEEK) is employed as the cross-linking agent to enhance the stabilities of the blend membranes. Particularly, an in-situ Menshutkin/crosslinking method is exploited to prevent the flocculation in the preparation process of blend membranes. As a result, dense and defect-free blend membranes are obtained. The blend membranes exhibit high level of IEC up to 3.15 mmol g-1, and consequently possess elevated hydroxide conductivity up to 31.59 mS cm-1 at 30 °C. In addition, benefiting from the strong electrostatic interaction introduced by the acid-base blending, the stabilities and methanol resistance of blend membranes are enhanced.

  5. Regulated trafficking of the CFTR chloride channel.

    PubMed

    Kleizen, B; Braakman, I; de Jonge, H R

    2000-08-01

    The cystic fibrosis transmembrane conductance regulator (CFTR), the ABC transporter encoded by the cystic fibrosis gene, is localized in the apical membrane of epithelial cells where it functions as a cyclic AMP-regulated chloride channel and as a regulator of other ion channels and transporters. Whereas a key role of cAMP-dependent phosphorylation in CFTR-channel gating has been firmly established, more recent studies have provided clear evidence for the existence of a second level of cAMP regulation, i.e. the exocytotic recruitment of CFFR to the plasma membrane and its endocytotic retrieval. Regulated trafficking of the CFTR Cl- channel has sofar been demonstrated only in a subset of CFTR-expressing cell types. However, with the introduction of more sensitive methods to measure CFTR cycling and submembrane localization, it might turn out to be a more general phenomenon that could contribute importantly to both the regulation of CFTR-mediated chloride transport itself and to the regulation of other transporters and CFTR-modulated cellular functions. This review aims to summarize the present state of knowledge regarding polarized and regulated CFTR trafficking and endosomal recycling in epithelial cells, to discuss present gaps in our understanding of these processes at the cellular and molecular level, and to consider its possible implications for cystic fibrosis. PMID:11001491

  6. Open cycle lithium chloride cooling system

    NASA Astrophysics Data System (ADS)

    Lenz, T. G.; Loef, G. O. G.; Iyer, R.; Wenger, J.

    1983-05-01

    A lithium chloride open cycle absorption chiller has been designed, built and tested. Solution reconcentration takes place in a small counter current packed column supplied with solar heated air. Removal of noncondensable gases that enter the chiller dissolved in the strong solution and the make-up refrigerant streams is accomplished by a liquid-jet ejector and a small vacuum pump. Cooling capacities approaching 1.4 tons and COP levels of 0.58 have been achieved at non-optimum operating conditions. Test results from preliminary system operation suggest that mass transfer processes in both the packed column reconcentrator and the absorber are controlled by concentration gradients in the lithium chloride solution. Liquid phase controlled mass transfer dictates an operating strategy different from the previously assumed gas phase controlled process to obtain maximum rates of evaporation in the packed column. Determination of optimal operating conditions leading to decreased electrical power consumption and improved cooling capacity and coefficient of performance will require further analysis and testing.

  7. Enrofloxacin hydro­chloride dihydrate

    PubMed Central

    Miranda-Calderón, Jorge E.; Gutiérrez, Lilia; Flores-Alamo, Marcos; García-Gutiérrez, Ponciano; Sumano, Héctor

    2014-01-01

    The asymmetric unit of the title compound, C19H23FN3O3 +·Cl−·2H2O [systematic name: 4-(3-carb­oxy-1-cyclo­propyl-6-fluoro-4-oxo-1,4-di­hydro­quin­o­lin-7-yl)-1-ethyl­piperazin-1-ium chloride dihydrate], consists of two independent monocations of the protonated enrofloxacin, two chloride anions and four water mol­ecules. In the cations, the piperazinium rings adopt chair conformations and the dihedral angles between the cyclo­propyl ring and the 10-membered quinoline ring system are 56.55 (2) and 51.11 (2)°. An intra­molecular O—H⋯O hydrogen bond is observed in each cation. In the crystal, the components are connected via O—H⋯Cl, N—H⋯Cl and O—H⋯O hydrogen bonds, and a π–π inter­action between the benzene rings [centroid–centroid distance = 3.6726 (13) Å], resulting in a three-dimensional array. PMID:24826167

  8. Radiolytic preparation of anhydrous tin (2) chloride

    NASA Technical Reports Server (NTRS)

    Philipp, W. H.; Marsik, S. J.

    1973-01-01

    Anhydrous tin (2) chloride (SnCl2) is prepared by radiolysis with high energy electrons of a tin (4) chloride (SnCl4) solution in heptane. The SnCl4 is reduced to insoluble SNCl2. The energy yield, G(SnCl2), molecules of SnCl2, produced per 100 eV, increases with SnCl4 concentration from 1.6 at 0.15 M SnCl4 to 3.1 at 3.0 M SnCl4. Other parameters such as temperature total dose and beam current have little influence on G(SnCl2). The method may be used to prepare other metal halides if the higher valence, more covalent metal halide is soluble in aliphatic hydrocarbons and the lower more ionic metal halide is insoluble. The reaction mechanism is discussed; the radiolysis of both heptane and SnCl4 is involved. At high SnCl4 concentration G(SnCl2) appears to be limited by the yield of SnC13 radicals.

  9. The sodium chloride primary pressure gauge

    NASA Technical Reports Server (NTRS)

    Ruoff, A. L.; Chhabildas, L. C.

    1976-01-01

    The failure of a central force model for sodium chloride is discussed. It is noted that it does not closely satisfy the Cauchy conditions at low temperatures, and that it fails the central force requirement of the Love condition. The available shock data for sodium chloride and its analysis is examined, and two reasons why the Hugoniot transformation pressure is likely to be less than 231 kbar are discussed. The important (but unjustified) theoretical assumptions made in converting Hugoniot to isothermal data is discussed; it is noted that serious error can enter for very large pressures for a given material and that at such high pressures the isothermal data should thus be considered only semiquantitative even if the Hugoniot data itself is accurate. An alternate method of estimating the isothermal transformation pressure from the Hugoniot transformation pressure is used. This method is based on the temperature derivative of the transformation pressure. On this basis it is concluded that an upper bound for the isothermal transformation of NaCl (to a CsCl-type structure) at room temperature is 257 kbar; it is noted that the actual value may be considerably less than this.

  10. Antagonists for acute oral cadmium chloride intoxication

    SciTech Connect

    Basinger, M.A.; Jones, M.M.; Holscher, M.A.; Vaughn, W.K.

    1988-01-01

    An examination has been carried out on the relative efficacy of a number of chelating agents when acting as antagonists for oral cadmium chloride intoxication in mice. The compounds were administered orally after the oral administration of cadmium chloride at 1 mmol/kg. Of the compounds examined, several were useful in terms of enhancing survival, but by far the most effective in both enhancing survival and leaving minimal residual levels of cadmium in the liver and the kidney, was meso-2,3-dimercaptosuccinic acid (DMSA). Several polyaminocarboxylic acids also enhanced survival. The most effective of these in reducing liver and kidney levels of cadmium were diethylenetriaminepentaacetic acid (DTPA), trans-1,2-diaminocyclohexane-N,N,N'N'-tetraacetic acid (CDTA), and triethylenetetraminehexaacetic acid (TTHA). D-Penicillamine (DPA) was found to promote survival but also led to kidney cadmium levels higher than those found in the controls. Sodium 2,3-dimercaptopropane-1-sulfonate (DMPS) was as effective in promoting survival as DMSA but left levels of cadmium in the kidney and liver that were approximately four times greater than those found with DMSA.

  11. Purification of aqueous plutonium chloride solutions via precipitation and washing.

    SciTech Connect

    Stroud, M. A.; Salazar, R. R.; Abney, Kent David; Bluhm, E. A.; Danis, J. A.

    2003-01-01

    Pyrochemical operations at Los Alamos Plutonium Facility (TA-55) use high temperature melt s of calcium chloride for the reduction of plutonium oxide to plutonium metal and hi gh temperature combined melts of sodium chloride and potassium chloride mixtures for the electrorefining purification of plutonium metal . The remaining plutonium and americium are recovered from thes e salts by dissolution in concentrated hydrochloric acid followed by either solvent extraction or io n exchange for isolation and ultimately converted to oxide after precipitation with oxalic acid . Figur e 1 illustrates the current aqueous chloride flow sheet used for plutonium processing at TA-55 .

  12. On Barium Oxide Solubility in Barium-Containing Chloride Melts

    NASA Astrophysics Data System (ADS)

    Nikolaeva, Elena V.; Zakiryanova, Irina D.; Bovet, Andrey L.; Korzun, Iraida V.

    2016-08-01

    Oxide solubility in chloride melts depends on temperature and composition of molten solvent. The solubility of barium oxide in the solvents with barium chloride content is essentially higher than that in molten alkali chlorides. Spectral data demonstrate the existence of oxychloride ionic groupings in such melts. This work presents the results of the BaO solubility in two molten BaCl2-NaCl systems with different barium chloride content. The received data together with earlier published results revealed the main regularities of BaO solubility in molten BaO-BaCl2-MCl systems.

  13. VOLATILE CHLORIDE PROCESS FOR THE RECOVERY OF METAL VALUES

    DOEpatents

    Hanley, W.R.

    1959-01-01

    A process is presented for recovering uranium, iron, and aluminum from centain shale type ores which contain uranium in minute quantities. The ore is heated wiih a chlorinating agent. such as chlorine, to form a volatilized stream of metal chlorides. The chloride stream is then passed through granular alumina which preferentially absorbs the volatile uranium chloride and from which the uranium may later be recovered. The remaining volatilized chlorides, chiefly those of iron and aluminum, are further treated to recover chlorine gas for recycle, and to recover ferric oxide and aluminum oxide as valuable by-products.

  14. Interpretation of postmortem vitreous concentrations of sodium and chloride.

    PubMed

    Zilg, B; Alkass, K; Berg, S; Druid, H

    2016-06-01

    Vitreous fluid can be used to analyze sodium and chloride levels in deceased persons, but it remains unclear to what extent such results can be used to diagnose antemortem sodium or chloride imbalances. In this study we present vitreous sodium and chloride levels from more than 3000 cases. We show that vitreous sodium and chloride levels both decrease with approximately 2.2mmol/L per day after death. Since potassium is a well-established marker for postmortem interval (PMI) and easily can be analyzed along with sodium and chloride, we have correlated sodium and chloride levels with the potassium levels and present postmortem reference ranges relative the potassium levels. We found that virtually all cases outside the reference range show signs of antemortem hypo- or hypernatremia. Vitreous sodium or chloride levels can be the only means to diagnose cases of water or salt intoxication, beer potomania or dehydration. We further show that postmortem vitreous sodium and chloride strongly correlate and in practice can be used interchangeably if analysis of one of the ions fails. It has been suggested that vitreous sodium and chloride levels can be used to diagnose drowning or to distinguish saltwater from freshwater drowning. Our results show that in cases of freshwater drowning, vitreous sodium levels are decreased, but that this mainly is an effect of postmortem diffusion between the eye and surrounding water rather than due to the drowning process, since the decrease in sodium levels correlates with immersion time. PMID:27105154

  15. Effect of application of ammonium chloride and calcium chloride on alfalfa cation-anion content and yield.

    PubMed

    Goff, J P; Brummer, E C; Henning, S J; Doorenbos, R K; Horst, R L

    2007-11-01

    A major factor predisposing the cow to periparturient hypocalcemia, or milk fever, is being fed a prepartum ration with a high dietary cation-anion difference (DCAD). The DCAD can be favorably altered to prevent milk fever by decreasing K and Na or increasing Cl and S in forages for cows in late gestation. The objective of this study was to test the hypothesis that application of Cl to alfalfa could increase Cl in forage, thereby lowering DCAD. We conducted a field experiment at 2 Iowa locations in which established plots of alfalfa were treated in April 2001 with 0, 56, 112, or 168 kg of Cl/ha using ammonium chloride, calcium chloride, or a mix of the 2 sources with equal amounts of chloride coming from each source. Plots were harvested 4 times in 2001 and once in 2002 and plant tissue analyzed for mineral composition. Applying chloride from either source once in the spring resulted in increased plant chloride content over all 4 cuttings for that year. Averaged across both locations, chloride levels were elevated from 0.52% in control plots to 0.77, 0.87, and 0.89% Cl in plots treated with 56, 112, and 168 kg of Cl/ha, respectively. Chloride application had no effect on plant potassium, sodium, calcium, magnesium, or phosphorus. These results suggest chloride application can elevate chloride content and lower DCAD values of alfalfa, and also maintain crop yield. PMID:17954756

  16. Developmental toxicity of copper chloride, methylene chloride, and 6-aminonicotinamide to embryos of the grass shrimp Palaemonetes pugio

    SciTech Connect

    Rayburn, J.R.; Fisher, W.S.

    1999-05-01

    Embryos of estuarine grass shrimp Palaemonetes pugio have demonstrated sensitivity to various solvents and petroleum products, indicating utility for evaluating estuarine contamination. Testing was performed to establish concentration-response curves for methylene chloride, copper chloride, and 6-aminonicotinamide, three known teratogenic chemicals. Two exposure periods were used, 4 d and 12 d, and both periods extended through hatching. The average 4-d LC50 values for methylene chloride, copper chloride, and 6-aminonicotinamide were 0.071% v/v, 1.82 mg/L, and 0.21 mg/ml, respectively. The average 12-d LC50 values for methylene chloride, copper chloride, and 6-aminonicotinamide were 0.031% v/v, 1.44 mg/L, and 0.057 mg/ml, respectively. Eye malformations were observed with embryos exposed to concentrations greater than 3 mg/L copper chloride or greater than 0.07% v/v methylene chloride. Very few abnormalities were observed in embryos exposed to 6-aminonicotinamide. Abnormal larval development was found with exposure to copper chloride at concentrations greater than 1 mg/L. The sensitivity and low variability found here further supports the development of these relatively simple methods using grass shrimp embryos. Establishment of sublethal developmental endpoints warrants further investigation because of their potential correspondence to mechanisms of toxic action.

  17. Reaction of. cap alpha. ,. cap alpha. ,omega-trihydroperfluoroalkanols with thionyl chloride

    SciTech Connect

    Krolevets, A.A.; Ragulin, L.I.; Popov, A.G.

    1987-06-10

    The effect of catalysts on the reaction of thionyl chloride with ..cap alpha..,..cap alpha..,omega-trihydroperfluoroalkanols was investigated. It was shown that the use of calcium chloride, aluminum chloride, ferric chloride, and magnesium chloride as catalysts makes it possible to obtain polyfluoroalkyl chlorosulfites and bis(polyfluoroalkyl) sulfites with good yields.

  18. Lithium chloride and avoidance of novel places.

    PubMed

    Kurz, E M; Levitsky, D A

    1983-06-01

    Rats were exposed to a distinctive chamber (chamber A, part of a two-chamber apparatus), which was novel for half of the rats but familiar for the other half. Each rat was subsequently injected with lithium chloride or saline. In a test trial conducted 24 hr later, all rats were given a choice between chamber A and a second chamber (B), which was novel for all rats. The main result was that the group made familiar with chamber A and then given lithium showed a significant preference for that side or an avoidance of the novel side, a "spatial neophobia." A second experiment confirmed the spatial neophobia effect and demonstrated that it was not dependent on the particular conditioning procedure used in the first experiment. The spatial neophobia effect was related to similar effects in the taste aversion literature, and to the results of research on lithium-induced decreases in exploratory behavior. PMID:6307325

  19. Characterization of directionally solidified lead chloride

    NASA Astrophysics Data System (ADS)

    Singh, Narsingh Bahadur; Duval, W. M. B.; Rosenthal, B. N.

    1988-06-01

    A complete analysis has been carried out on directionally solidified lead(II) chloride material. Purification by directional freezing consistently produced high purity material suitable for subsequent growth of single crystals. It was observed that silicon, magnesium, halogens, sulfur and phosphorous were the hardest impurities to remove from the supplied material. Direct photographic observations of the solid-liquid interface were taken at several values of G/ v ratios (denoting the temperature gradient and the translation velocity, respectively) to study the morphology of the interface and optimize the growth conditions. The solid-liquid interface morphology varied from a smooth convex shape to dendritic as the G/ v ratio decreased. Single crystals subsequently grown from the material purified by the present method showed no optical distortion, exhibited a transmission range from 0.30 to 20 μm, and displayed extremely low beam scattering.

  20. o-Phenyl­enediaminium chloride nitrate

    PubMed Central

    Soudani, Sarra; Kefi, Riadh; Jelsch, Christian; Wenger, Emmanuel; Ben Nasr, Cherif

    2013-01-01

    In the title mol­ecular salt, C6H10N2 2+·NO3 −·Cl−, the complete cation is generated by a crystallographic mirror plane. The complete nitrate ion is also generated by reflection, with the N atom and one O atom lying on the mirror plane; the chloride ion also lies on the reflection plane. In the crystal, the components are linked by N—H⋯Cl and N—H⋯(N,O) hydrogen bonds, forming (001) layers with the benzene rings projecting into the inter­layer regions. The layers are linked by weak C—H⋯O hydrogen bonds, generating a three-dimensional network. PMID:23634127