Sample records for weakly coordinating solvents

  1. Nanocluster formation and stabilization fundamental studies: investigating "solvent-only" stabilization en route to discovering stabilization by the traditionally weakly coordinating anion BF4- plus high dielectric constant solvents.

    PubMed

    Ott, Lisa Starkey; Finke, Richard G

    2006-10-01

    The nanocluster literature contains a wide variety of nanocluster stabilizing agents. In addition to the plethora of putative stabilizing additives, 12 claims appear of "solvent-only" stabilization of transition-metal nanoclusters-a hypothesis that is tested for the first time as part of the present studies. When the two main modes of nanocluster stabilization, electrostatic and steric are considered, "solvent-only" stabilization can only be steric (i.e., is not electrostatic). Solvent-only stabilization would, therefore, require that a strongly coordinated, perhaps even kinetically nonlabile, solvent be present on the nanocluster surface. Hence, an investigation has been conducted into potential sources for the stabilization of prototype Ir(0)n transition-metal nanoclusters prepared from [(1,5-COD)Ir(CH3CN)2][BF4] in five different solvents, with a special focus on the formulation and testing of alternative hypotheses regarding the true source of the nanocluster stabilization in putative solvent-only stabilization conditions. Seven total hypotheses are tested with five being initially ruled out; they are, namely, stabilization by (i) trace chloride (ii), surface hydrides, (iii) scavenged charge, (iv) solvent oxidative addition reactions with the nanocluster surface, or (v) polymerized solvent. This led in turn to two additional main alternative hypotheses: (vi) nanocluster surface ligation by high-donor number solvents (i.e., in the absence of anions) and (vii) nanocluster stabilization by surface-coordination of the traditionally weakly coordinating anion BF(4-). Our results reveal a significant contribution to nanocluster stability from the traditionally weakly coordinating BF(4-) in high dielectric constant solvents, such as propylene carbonate. Literature claims of solvent-only nanocluster stabilization are not supported by our findings. Overall, DLVO (Derjaugin-Landau-Verwey-Overbeek) theory of colloidal stability is supported and found to apply to even traditionally weakly coordinating anions. PMID:16999438

  2. Influence of solute-solvent coordination on the orientational relaxation of ion assemblies in polar solvents

    NASA Astrophysics Data System (ADS)

    Ji, Minbiao; Hartsock, Robert W.; Sung, Zheng; Gaffney, Kelly J.

    2012-01-01

    We have investigated the rotational dynamics of lithium thiocyanate (LiNCS) dissolved in various polar solvents with time and polarization resolved vibrational spectroscopy. LiNCS forms multiple distinct ionic structures in solution that can be distinguished with the CN stretch vibrational frequency of the different ionic assemblies. By varying the solvent and the LiNCS concentration, the number and type of ionic structures present in solution can be controlled. Control of the ionic structure provides control over the volume, shape, and dipole moment of the solute, critical parameters for hydrodynamic and dielectric continuum models of friction. The use of solutes with sizes comparable to or smaller than the solvent molecules also helps amplify the sensitivity of the measurement to the short-ranged solute-solvent interaction. The measured orientational relaxation dynamics show many clear and distinct deviations from simple hydrodynamic behavior. All ionic structures in all solvents exhibit multi-exponential relaxation dynamics that do not scale with the solute volume. For Lewis base solvents such as benzonitrile, dimethyl carbonate, and ethyl acetate, the observed dynamics strongly show the effect of solute-solvent complex formation. For the weak Lewis base solvent nitromethane, we see no evidence for solute-solvent complex formation, but still see strong deviation from the predictions of simple hydrodynamic theory.

  3. Coordinative Properties of Highly Fluorinated Solvents with Amino and Ether Groups

    PubMed Central

    Boswell, Paul G.; Lugert, Elizabeth C.; Rábai, József; Amin, Elizabeth A.; Bühlmann, Philippe

    2008-01-01

    In spite of the widespread use of perfluorinated solvents with amino and ether groups in a variety of application fields, the coordinative properties of these compounds are poorly known. It is generally assumed that the electron withdrawing perfluorinated moieties render these functional groups rather inert, but little is known quantitatively about the extent of their inertness. This paper reports on the interactions between inorganic monocations and perfluorotripentylamine and 2H-perfluoro-5,8,11-trimethyl-3,6,9,12-tetraoxapentadecane, as determined with fluorous liquid-membrane cation-selective electrodes doped with tetrakis[3,5-bis(perfluorohexyl)phenyl]borate salts. The amine does not undergo measurable association with any ion tested, and its formal pKa is shown to be smaller than -0.5. This is consistent with the nearly planar structure of the amine at its nitrogen center, as obtained with density functional theory calculations. The tetraether interacts very weakly with Na+ and Li+. Assuming 1:1 stoichiometry, formal association constants were determined to be 2.3 and 1.5 M-1, respectively. This disproves an earlier proposition that the Lewis base character in such compounds may be non-existent. Due to the extremely low polarity of fluorous solvents and the resulting high extent of ion pair formation, a fluorophilic electrolyte salt with perfluoroalkyl substituents on both the cation and the anion had to be developed for these experiments. In its pure form, this first fluorophilic electrolyte salt is an ionic liquid with a glass transition temperature, Tg, of -18.5 °C. Interestingly, the molar conductivity of solutions of this salt increases very steeply in the high concentration range, making it a particularly effective electrolyte salt. PMID:16316244

  4. Lanthanide Coordination Polymers with 4,4'-Azobenzoic Acid: Enhanced Stability and Magnetocaloric Effect by Removing Guest Solvents.

    PubMed

    Zhang, Shaowei; Duan, Eryue; Han, Zongsu; Li, Leilei; Cheng, Peng

    2015-07-01

    Three lanthanide coordination polymers (Ln-CPs) formulated as [Ln(azdc)(HCOO)]n [Ln = Gd(III) (1), Tb(III) (2), Dy(III) (3); H2azdc = 4,4'-azobenzoic acid] have been successfully obtained by the solvothermal reaction of Ln(III) ions with H2azdc ligands in the mixed solvent N,N-dimethylformamide (DMF)/H2O. Compared with our previous work on Ln-CPs with H2azdc ligands, [Gd2(azdc)3(DMA)2]n·2nDMA (1'; DMA = dimethylacetamide), in which the DMA molecules coordinate to Gd(III) ions that are replaced by HCOO(-) groups in 1, resulting in the distinct structures and properties of the final products. Adjacent Ln(III) ions in 1-3 are connected by HCOO(-) groups through bridging and chelating modes to give 2D layers, which are further linked by azdc(2-) ligands to produce 3D frameworks. Magnetic results declare that antiferromagnetic couplings exist in 1, although two different magnetic interactions among adjacent Gd(III) ions derived from antiferromagnetic interactions of the smaller Gd-O-Gd angles (Gd···Gd distances) and weak ferromagnetic interactions of the larger Gd-O-Gd angles (Gd···Gd distances) coexist in 1. Furthermore, the magnetocaloric effect (MCE) value of 1 is 1.5 times as large as that of 1'. More importantly, 1 exhibits excellent stabilities toward air, thermal, solvent, and acid/alkaline conditions. The results manifest that the crystalline structure of 1 can be stable at at least 425 °C supported by the in situ variable-temperature powder X-ray diffraction patterns and thermogravimetric analyses, in air for at least 3 months, and in common solvents for more than 1 week, as well as in aqueous solutions ranging from pH = 2 to 12 for more than 1 week. PMID:26097991

  5. NMR crystallography for structural characterization of oxovanadium(V) complexes: deriving coordination geometry and detecting weakly coordinated ligands at atomic resolution in the solid state.

    PubMed

    Li, Mingyue; Yehl, Jenna; Hou, Guangjin; Chatterjee, Pabitra B; Goldbourt, Amir; Crans, Debbie C; Polenova, Tatyana

    2015-02-16

    NMR crystallography is an emerging method for atomic-resolution structural analysis of ubiquitous vanadium(V) sites in inorganic and bioinorganic complexes as well as vanadium-containing proteins. NMR crystallography allows for characterization of vanadium(V) containing solids, based on the simultaneous measurement of (51)V-(15)N internuclear distances and anisotropic spin interactions, described by (13)C, (15)N, and (51)V chemical shift anisotropy and (51)V electric field gradient tensors. We show that the experimental (51)V, (13)C, and (15)N NMR parameters are essential for inferring correct coordination numbers and deriving correct geometries in density functional theory (DFT) calculations, particularly in the absence of single-crystal X-ray structures. We first validate this approach on a structurally known vanadium(V) complex, ((15)N-salicylideneglycinate)-(benzhydroxamate)oxovanadium(V), VO(15)NGlySalbz. We then apply this approach to derive the three-dimensional structure of (methoxo)((15)N-salicylidene-glycinato)oxovanadium(V) with solvated methanol, [VO((15)NGlySal)(OCH3)]·(CH3OH). This is a representative complex with potentially variable coordination geometry depending on the solvation level of the solid. The solid material containing molecules of CH3OH, formally expressed as [VO((15)NGlySal)(OCH3)]·(CH3OH), is found to have one molecule of CH3OH weakly coordinated to the vanadium. The material is therefore best described as [VO((15)NGlySal)(OCH3)(CH3OH)] as deduced by the combination of multinuclear solid-state NMR experiments and DFT calculations. The approach reported here can be used for structural analysis of systems that are not amenable to single-crystal X-ray diffraction characterization and which can contain weakly associated solvents. PMID:25590382

  6. Solvent wrapped metastable colloidal crystals: highly mutable colloidal assemblies sensitive to weak external disturbance.

    PubMed

    Yang, Dongpeng; Ye, Siyun; Ge, Jianping

    2013-12-11

    Solvent wrapped "metastable" crystalline colloidal arrays (CCAs) have been prepared by supersaturation induced precipitation and self-assembly of monodisperse particles in polar/nonpolar organic solvents. These metastable CCAs possess ordered structures but with less stability comparing with traditionally fixed colloidal crystal systems. They are stabilized by the balance between long-range attraction and electrostatic repulsion of neighboring like-charged particles. Monitoring the reflection intensity during evaporation suggests that these crystals can exist for several hours at 90 °C and even longer at room temperature. Based on the evolution of particle volume fraction in whole suspension (?(SiO2)), crystal phase (?(crystal)), and liquid phase (?(liquid)), the formation of metastable CCAs can be understood as a microscopic phase separation process, where the homogeneous dispersion will separate into a "crystal phase" with orderly stacked particles and a "liquid phase" with randomly dispersed particles. Further calculation of the volume fraction of crystal phase (V(crystal)/V(total)) and the ratio of particles in crystal phase (f(crystal)) shows that with the increase of designed ?(SiO2), more particles precipitate to form colloidal crystals with larger sizes but the lattice spacing of the microcrystals remains constant. Unlike fixed or traditional responsive CCAs, these metastable CCAs can reversibly assemble and disassemble with great ease, because little energy is involved or required in this transformation. Therefore, they can sense weak external disturbances, including subtle motion and slight friction or shearing forces. PMID:24266836

  7. Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents

    SciTech Connect

    Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B. (UNLV); (SUNYB); (LBNL)

    2012-10-11

    Three magnesium based metal-organic frameworks, Mg{sub 3}(3,5-PDC){sub 3}(DMF){sub 3} {center_dot} DMF [1], Mg(3,5-PDC)(H{sub 2}O) {center_dot} (H{sub 2}O) [3], and Mg4(3,5-PDC)4(DMF){sub 2}(H{sub 2}O){sub 2} {center_dot} 2DMF {center_dot} 4.5H{sub 2}O [4], and a 2-D coordination polymer, [Mg(3,5-PDC)(H{sub 2}O){sub 2}] [2] [PDC = pyridinedicarboxylate], were synthesized using a combination of DMF, methanol, ethanol, and water. Compound 1 [space group P2{sub 1}/n, a = 12.3475(5) {angstrom}, b = 11.1929(5) {angstrom}, c = 28.6734(12) {angstrom}, {beta} = 98.8160(10){sup o}, V = 3916.0(3) {angstrom}{sup 3}] consists of a combination of isolated and corner-sharing magnesium octahedra connected by the organic linkers to form a 3-D network with a 12.2 {angstrom} x 4.6 {angstrom} 1-D channel. The channel contains coordinated and free DMF molecules. In compound 2 [space group C2/c, a = 9.964(5) {angstrom}, b = 12.0694(6) {angstrom}, c = 7.2763(4) {angstrom}, {beta} = 106.4970(6){sup o}, V = 836.70(6) {angstrom}{sup 3}], PDC connects isolated seven coordinated magnesium polyhedra into a layered structure. Compound 3 [space group P6{sub 1}22, a = 11.479(1) {angstrom}, c = 14.735(3) {angstrom}, V = 1681.7(4) {angstrom}{sup 3}] (previously reported) contains isolated magnesium octahedra connected by the organic linker with each other forming a 3D network. Compound 4 [space group P2{sub 1}/c, a = 13.7442(14) {angstrom}, b = 14.2887(15) {angstrom}, c = 14.1178(14) {angstrom}, {beta} = 104.912(2){sup o}, V = 2679.2(5) {angstrom}{sup 3}] also exhibits a 3D network based on isolated magnesium octahedra with square cavities containing both disordered DMF and water molecules. The structural topologies originate due to the variable coordination ability of solvent molecules with the metal center. Water molecules coordinate with the magnesium metal centers preferably over other polar solvents (DMF, methanol, ethanol) used to synthesize the coordination networks. Despite testing multiple desolvation routes, we were unable to measure BET surface areas greater than 51.9 m{sup 2}/g for compound 1.

  8. Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents

    SciTech Connect

    D Banerjee; J Finkelstein; A Smirnov; P Forster; L Borkowski; S Teat; J Parise

    2011-12-31

    Three magnesium based metal-organic frameworks, Mg{sub 3}(3,5-PDC){sub 3}(DMF){sub 3} {center_dot} DMF [1], Mg(3,5-PDC)(H{sub 2}O) {center_dot} (H{sub 2}O) [3], and Mg{sub 4}(3,5-PDC){sub 4}(DMF){sub 2}(H{sub 2}O){sub 2} {center_dot} 2DMF {center_dot} 4.5H{sub 2}O [4], and a 2-D coordination polymer, [Mg(3,5-PDC)(H{sub 2}O){sub 2}] [2] [PDC = pyridinedicarboxylate], were synthesized using a combination of DMF, methanol, ethanol, and water. Compound 1 [space group P2{sub 1}/n, a = 12.3475(5) {angstrom}, b = 11.1929(5) {angstrom}, c = 28.6734(12) {angstrom}, {beta} = 98.8160(10){sup o}, V = 3916.0(3) {angstrom}{sup 3}] consists of a combination of isolated and corner-sharing magnesium octahedra connected by the organic linkers to form a 3-D network with a 12.2 {angstrom} x 4.6 {angstrom} 1-D channel. The channel contains coordinated and free DMF molecules. In compound 2 [space group C2/c, a = 9.964(5) {angstrom}, b = 12.0694(6) {angstrom}, c = 7.2763(4) {angstrom}, {beta} = 106.4970(6){sup o}, V = 836.70(6) {angstrom}{sup 3}], PDC connects isolated seven coordinated magnesium polyhedra into a layered structure. Compound 3 [space group P6{sub 1}22, a = 11.479(1) {angstrom}, c = 14.735(3) {angstrom}, V = 1681.7(4) {angstrom}{sup 3}] (previously reported) contains isolated magnesium octahedra connected by the organic linker with each other forming a 3D network. Compound 4 [space group P2{sub 1}/c, a = 13.7442(14) {angstrom}, b = 14.2887(15) {angstrom}, c = 14.1178(14) {angstrom}, {beta} = 104.912(2){sup o}, V = 2679.2(5) {angstrom}{sup 3}] also exhibits a 3D network based on isolated magnesium octahedra with square cavities containing both disordered DMF and water molecules. The structural topologies originate due to the variable coordination ability of solvent molecules with the metal center. Water molecules coordinate with the magnesium metal centers preferably over other polar solvents (DMF, methanol, ethanol) used to synthesize the coordination networks. Despite testing multiple desolvation routes, we were unable to measure BET surface areas greater than 51.9 m{sup 2}/g for compound 1.

  9. T-duality as coordinates permutation in double space for weakly curved background

    E-print Network

    Branislav Sazdovic

    2015-03-18

    In the previous paper [1] we showed that in double space, where all initial coordinates $x^\\mu$ are doubled $x^\\mu \\to y_\\mu$, the T-duality transformations can be performed by exchanging places of some coordinates $x^a$ and corresponding dual coordinates $y_a$. Here we generalize this result to the case of weakly curved background where in addition to the extended coordinate we will also transform extended argument of background fields with the same matrix ${\\cal T}^a$. So, in the weakly curved background T-duality leads to the physically equivalent theory and complete set of T-duality transformations form the same group as in the flat background. Therefore, the double space represent all T-dual theories in unified manner.

  10. An europium(III) diglycolamide complex: insights into the coordination chemistry of lanthanides in solvent extraction.

    PubMed

    Antonio, Mark R; McAlister, Daniel R; Horwitz, E Philip

    2015-01-14

    The synthesis, stoichiometry, and structural characterization of a homoleptic, cationic europium(III) complex with three neutral tetraalkyldiglycolamide ligands are reported. The tri(bismuth tetrachloride)tris(N,N,N',N'-tetra-n-octyldiglycolamide)Eu salt, [Eu(TODGA)3][(BiCl4)3] obtained from methanol was examined by Eu L3-edge X-ray absorption spectroscopy (XAS) to reveal an inner-sphere coordination of Eu(3+) that arises from 9 O atoms and two next-nearest coordination spheres that arise from 6 carbon atoms each. A structural model is proposed in which each TODGA ligand with its O=Ca-Cb-O-Cb-Ca=O backbone acts as a tridentate O donor, where the two carbonyl O atoms and the one ether O atom bond to Eu(3+). Given the structural rigidity of the tridentate coordination motif in [Eu(TODGA)3](3+) with six 5-membered chelate rings, the six Eu-Ca and six Eu-Cb interactions are readily resolved in the EXAFS (extended X-ray absorption fine structure) spectrum. The three charge balancing [BiCl4](-) anions are beyond the cationic [Eu(TODGA)3](3+) cluster in an outer sphere environment that is too distant to be detected by XAS. Despite their sizeable length and propensity for entanglement, the four n-octyl groups of each TODGA (for a total of twelve) do not perturb the Eu(3+) coordination environment over that seen from previously reported single-crystal structures of tripositive lanthanide (Ln(3+)) complexes with tetraalkyldiglycolamide ligands (of the same 1:3 metal-to-ligand ratio stoichiometry) but having shorter i-propyl and i-butyl groups. The present results set the foundation for understanding advanced solvent extraction processes for the separation of the minor, tripositive actinides (Am, Cm) from the Ln(3+) ions in terms of the local structure of Eu(3+) in a solid state coordination complex with TODGA. PMID:25310364

  11. Modulation of electronics and thermal stabilities of photochromic phosphino-aminoazobenzene derivatives in weak-link approach coordination complexes.

    PubMed

    Park, Jung Su; Lifschitz, Alejo M; Young, Ryan M; Mendez-Arroyo, Jose; Wasielewski, Michael R; Stern, Charlotte L; Mirkin, Chad A

    2013-11-13

    A series of d(8) transition-metal (Pt(II) and Pd(II)) coordination complexes incorporating phosphine-functionalized aminoazobenzene derivatives as hemilabile phosphino-amine (P,N) ligands were synthesized and studied as model weak-link approach (WLA) photoresponsive constructs. The optical and photochemical properties of these complexes were found to be highly influenced by various tunable parameters in WLA systems, which include type of metal, coordination mode, type of ancillary ligand, solvent, and outer-sphere counteranions. In dichloromethane, reversible chelation and partial displacement of the P,N coordinating moieties allow for toggling between aminoazobenzene- or pseudostilbene- and azobenzene-type derivatives. The reversible switching between electronic states of azobenzene can be controlled through either addition or extraction of chloride counterions and is readily visualized in the separation between ?-?* and n-?* bands in the complexes' electronic spectra. In acetonitrile solution, the WLA variables inherent to semiopen complexes have a significant impact on the half-lives of the corresponding cis isomers, allowing one to tune their half-lives from 20 to 21000 s, while maintaining photoisomerization behaviors with visible light. Therefore, one can significantly increase the thermal stability of a cis-aminoazobenzene derivative to the extent that single crystals for X-ray diffraction analysis can be grown for the first time, uncovering an unprecedented edge-to-face arrangement of the phenyl rings in the cis isomer. Overall, the azobenzene-functionalized model complexes shed light on the design parameters relevant for photocontrolled WLA molecular switches, as well as offer new ways of tuning the properties of azobenzene-based, photoresponsive materials. PMID:24187977

  12. Pseudo-Hermiticity and weak pseudo-Hermiticity: Equivalence of complementarity and the coordinate transformations in position-dependent mass

    E-print Network

    S. -A. Yahiaoui; M. Bentaiba

    2009-02-02

    The complementarity between the twin concepts of pseudo-Hermiticity and weak pseudo-Hermiticity, established by Bagchi and Quesne [Phys. Lett. A 301 (2002) 173-176], can be understood in terms of coordinate transformations.

  13. Investigations of iron coordination and redox reactions in seawater using 59Fe radiometry and ion-pair solvent extraction of amphiphilic iron complexes

    Microsoft Academic Search

    Robert J. M. Hudson; Dianne T. Covault; Francois M. M. Morel

    1992-01-01

    Hudson, R.J.M., Covault, D.T. and Morel, F.M.M., 1992. Investigations of iron coordination and redox reactions in seawater using 59Fe radiometry and ion-pair solvent extraction of amphiphilic iron complexes. Mar. Chem., 38: 209-235. Iron coordination and redox reactions in synthetic and coastal seawater were investigated at na- nomolar concentrations using 59Fe radiometry and ion-pair solvent extraction of iron chelated by sulfoxine

  14. Solvent-induced structural dynamics in noninterpenetrating porous coordination polymeric networks.

    PubMed

    Medishetty, Raghavender; Jung, Daram; Song, Xiaokai; Kim, Dongwook; Lee, Shim Sung; Lah, Myoung Soo; Vittal, Jagadese J

    2013-03-18

    Three novel soft porous coordination polymer (PCP) or metal-organic framework (MOF) compounds have been synthesized with a new rigid ligand N-(4-pyridyl)-1,4,5,8-naphathalenetetracarboxymonoimide (PNMI) by partial hydrolysis of N,N'-di-(4-pyridyl)-1,4,5,8-naphthalenete-tracarboxydiimide (DPNI) during solvothermal reactions with Zn(II), Cd(II), and Mn(II) salts, and they are [Zn(PNMI)]·2DMA (1·2DMA, 1a), [Cd(PNMI)]·0.5DMA·5H2O (2·0.5DMA·5H2O), and [Mn(PNMI)]·0.75DMF (3·0.75DMF). The structure of 1 is based on paddle-wheel secondary building unit (SBU) with a 3,6-connected rtl net topology, whereas 2 and 3 are isotypical but the M(O2C-C)2 fragments aggregate in one-dimension and the overall connectivity is the same rtl net topology. All these three MOFs have one-dimensional rhombic channels filled with guest molecules. The guest molecules in 1a can be exchanged with EtOH in a single-crystal to single-crystal (SCSC) manner to 1·1.25EtOH·0.375H2O (1b). Further, the guest molecules in 1b can be replaced with ethylene glycol, triethylene glycol and allyl alcohol without destroying its single crystal nature. These guest exchanges are accompanied by reduction in volume of the unit cell up to 16%, as well as the void volume up to 33.1%. Similarly, triethylene glycol (TEGly) selectively exchanges EtOH in a mixture of the above solvents, which might be the result of correct fit of the hydrogen-bonded TEGly dimer in the channel of 1. While activated 1 and 3 exhibit no uptake of N2 and H2 at 1 bar and 77 K and very low uptake of CO2 gas at 1 bar and 196 K, activated 2 shows selective CO2 uptake, 278 cm(2)·g(-1), over N2 and H2 at 1 bar and 196 K, which corresponds to 5.87 molecules of CO2 per formula unit of 2. PMID:23452045

  15. Deformed coordinate-space Hartree-Fock-Bogoliubov approach to weakly bound nuclei and large deformations

    NASA Astrophysics Data System (ADS)

    Pei, J. C.; Stoitsov, M. V.; Fann, G. I.; Nazarewicz, W.; Schunck, N.; Xu, F. R.

    2008-12-01

    The coordinate-space formulation of the Hartree-Fock-Bogoliubov (HFB) method enables the self-consistent treatment of mean field and pairing in weakly bound systems whose properties are affected by the particle continuum space. Of particular interest are neutron-rich, deformed drip-line nuclei, which can exhibit novel properties associated with neutron skin. To describe such systems theoretically, we developed an accurate two-dimensional lattice Skyrme-HFB solver HFB-AX based on basis (or B)-splines. Compared to previous implementations, ours incorporated a number of improvements aimed at boosting the solver's performance. These include the explicit imposition of axiality and space inversion, use of the modified Broyden method to solve self-consistent equations, and a partial parallelization of the code. HFB-AX has been compared with other HFB codes, both spherical and deformed, and the accuracy of the B-spline expansion was tested by employing the multiresolution wavelet method. Illustrative calculations are carried out for stable and weakly bound nuclei at spherical and very deformed shapes, including constrained fission pathways. In addition to providing new physics insights, HFB-AX can serve as a useful tool to assess the reliability and applicability of coordinate-space and configuration-space HFB frameworks, both existing and in development.

  16. Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers

    PubMed Central

    Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee

    2015-01-01

    A family of one-dimensional coordination polymers, [Ag4(O2C(CF2)2CF3)4(phenazine)2(arene)n]·m(arene), 1 (arene = toluene or xylene), have been synthesized and crystallographically characterized. Arene guest loss invokes structural transformations to yield a pair of polymorphic coordination polymers [Ag4(O2C(CF2)2CF3)4(phenazine)2], 2a and/or 2b, with one- and two-dimensional architectures, respectively. The role of pre-organization of the polymer chains of 1 in the selectivity for formation of either polymorph is explored, and the templating effect of toluene and p-xylene over o-xylene or m-xylene in the formation of arene-containing architecture 1 is also demonstrated. The formation of arene-free phase 2b, not accessible in a phase-pure form through other means, is shown to be the sole product of loss of toluene from 1-tol·tol [Ag4(O2C(CF2)2CF3)4(phenazine)2(toluene)]·2(toluene), a phase containing toluene coordinated to Ag(I) in an unusual ?:?1,?1 manner. Solvent-vapour-assisted conversion between the polymorphic coordination polymers and solvent-vapour influence on the conversion of coordination polymers 1 to 2a and 2b is also explored. The transformations have been examined and confirmed by X-ray diffraction, NMR spectroscopy and thermal analyses, including in situ diffraction studies of some transformations. PMID:25866656

  17. Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers.

    PubMed

    Wright, James S; Vitórica-Yrezábal, Iñigo J; Adams, Harry; Thompson, Stephen P; Hill, Adrian H; Brammer, Lee

    2015-03-01

    A family of one-dimensional coordination polymers, [Ag4(O2C(CF2)2CF3)4(phenazine)2(arene) n ]·m(arene), 1 (arene = toluene or xylene), have been synthesized and crystallographically characterized. Arene guest loss invokes structural transformations to yield a pair of polymorphic coordination polymers [Ag4(O2C(CF2)2CF3)4(phenazine)2], 2a and/or 2b , with one- and two-dimensional architectures, respectively. The role of pre-organization of the polymer chains of 1 in the selectivity for formation of either polymorph is explored, and the templating effect of toluene and p-xylene over o-xylene or m-xylene in the formation of arene-containing architecture 1 is also demonstrated. The formation of arene-free phase 2b , not accessible in a phase-pure form through other means, is shown to be the sole product of loss of toluene from 1-tol·tol [Ag4(O2C(CF2)2CF3)4(phenazine)2(toluene)]·2(toluene), a phase containing toluene coordinated to Ag(I) in an unusual ?:?(1),?(1) manner. Solvent-vapour-assisted conversion between the polymorphic coordination polymers and solvent-vapour influence on the conversion of coordination polymers 1 to 2a and 2b is also explored. The transformations have been examined and confirmed by X-ray diffraction, NMR spectroscopy and thermal analyses, including in situ diffraction studies of some transformations. PMID:25866656

  18. Coordination of weakly binding anions to [Ru2(?-O2CCH3)4]+ in aqueous solution

    NASA Astrophysics Data System (ADS)

    Dunlop, Kate; Wang, Ruiyao; Stanley Cameron, T.; Aquino, Manuel A. S.

    2014-01-01

    Four new complexes involving the diruthenium(II,III) tetraacetate core, [Ru2(?-O2CCH3)4]+, with three relatively weakly binding anions ClO4-, NO3- and CFCO2- have been synthesized and structurally characterized in exclusively aqueous media. Despite their low, but still positive, apparent donor numbers (D.N.) in water (according to previous literature by Linert et al.) both NO3- (D.N. = 0.21) and CFCO2- (D.N. < 8.65) do coordinate axially to [Ru2(?-O2CCH3)4]+ , with water having a D.N. = 19.5. NO3- forms both a polymer, [Ru2(?-O2CCH3)4(NO3)]x, and a mixed axial adduct with water, [Ru2(?-O2CCH3)4(H2O)(NO3)] depending on reaction stoichiometry. CFCO2- forms a double salt of the form [Ru2(?-O2CCH3)4(H2O)2] [Ru2(?-O2CCH3)4(CF3COO)2]⋯2H2O. ClO4-, with a negative apparent D.N. in water of -12.4, only "binds" outer-sphere to form [Ru2(?-O2CCH3)4(H2O)2](ClO4), at all reaction stoichiometries (as does the PF6- ion whose structure was also determined and found to be the same as a previous result). These results are compared to the very limited data of [Ru2(?-O2CCH3)4]+ adduct salts in aqueous solution and it is concluded that despite the low donor numbers, as long as they are positive, the species formed in water can be every bit as varied and rich as those formed in other solvents.

  19. Hydrophobic Encapsulated Phosphonium Salts-Synthesis of Weakly Coordinating Cations and their Application in Wittig Reactions.

    PubMed

    Moritz, Ralf; Wagner, Manfred; Schollmeyer, Dieter; Baumgarten, Martin; Müllen, Klaus

    2015-06-15

    Large and rigid tetraarylphosphonium tetrafluoroborate salts have been synthesized representing weakly coordinating cations with diameters of several nanometers. Divergent dendritic growth by means of thermal Diels-Alder cycloaddition was employed for the construction of the hydrophobic polyphenylene framework up to the third generation. X-ray crystal structure analysis of first-generation phosphonium tetrafluoroborate supported the rigidity of the non-collapsible shell around the phosphorus center and gave insight into solid-state packing and cation-anion distances. Copper(I)-catalyzed azide-alkyne ligation served as reliable method for the preparation of a first-generation triazolylphenyl hybrid phosphonium cation under mild reaction conditions. Furthermore, from the synthesis of triarylbenzylphosphonium bromides, Wittig precursors with unprecedented bulky substituents in the ?-position were accessible. Employment of these precursors under Wittig conditions by treatment with base and subsequent reaction with aldehydes preferentially provided (Z)-olefins with bulky polyphenylene substituents. PMID:25965029

  20. Coordination

    NSDL National Science Digital Library

    Olivia Worland (Purdue University; Biological Sciences)

    2008-06-06

    Coordination is an organized working together of muscles and groups of muscles aimed at bringing about a purposeful movement such as walking or standing. Coordination involves timing and concentration.

  1. Coordinates

    NSDL National Science Digital Library

    David Stern

    This introduction to the labeling of points on a plane by their Cartesian coordinates can optionally be extended to coordinates in 3-dimensional space, to plane polar coordinates and to 3-dimensional polar coordinates. Students should learn to use Cartesian coordinates (x,y) for defining the position of a point in two dimensions and to use Cartesian coordinates (x,y,z) in 3-dimensional space and learn to appreciate the two ways of defining the z axis. Students should also become familiar with some of the tools and terms used by surveyors such as theodolite, azimuth, elevation, and zenith. Optional items for students familiar with trigonometry and with the theorem of Pythagoras are polar coordinates (r,f ) on the plane, Converting (r,f) to (x,y) and vice versa, at least for r, and Spherical polar coordinates (r,q, f) in 3-dimensional space.

  2. Coordinates

    NSDL National Science Digital Library

    In this activity, developed by the Lane Community College Geo-STAC programâ??, students "understand geographic location (absolute and relative) using an interactive Web-based GIS map." The lesson helps review basic concepts of coordinate geometry as they move about the world identifying coordinate relationships and important reference lines. On the site, visitors will find a link to the student activity and teaching guide, as well as link to the web-based GIS map. This is an excellent activity for high school or early undergraduate students for hands-on work with GIS and coordinate systems.

  3. Weak cooperativity in selected iron(II) 1D coordination polymers

    NASA Astrophysics Data System (ADS)

    Dîrtu, Marinela M.; Gillard, Damien; Naik, Anil D.; Rotaru, Aurelian; Garcia, Yann

    2012-03-01

    The spin crossover behaviour of a new class of FeII coordination polymers [Fe(phtptrz)3]I2 ( 1), [Fe(phtptrz)3](ReO4)2•CH3OH ( 2) and [Fe(phtptrz)3]TaF7•6H2O ( 3) based on a novel ligand 4-(3' -N-phtalimido-propyl)-1,2,4-triazole (phtptrz), were investigated by temperature dependent 57Fe Mössbauer spectroscopy and magnetic susceptibility measurements. The adverse effect of bulky substituent on 1,2,4-triazole, favorable supramolecular interactions and influence of increasing anion size on spin crossover profile is discussed. 1 and 2 show thermally induced spin conversions of gradual and incomplete nature with associated thermochromism, and transition temperatures T1/2 ~ 163 K and 137 K, respectively. A spin state crossover is also identified for 3.

  4. Solvent-induced synthesis of cobalt(II) coordination polymers based on a rigid ligand and flexible carboxylic acid ligands: syntheses, structures and magnetic properties.

    PubMed

    Wang, Ting; Zhang, Chuanlei; Ju, Zemin; Zheng, Hegen

    2015-04-21

    Five new cobalt(ii) coordination architectures, {[Co(L)2(H2O)2]·2H2O·2NO3}n (), {[Co(L)(ppda)]·2H2O}n (), {[Co2(L)(ppda)2]2·H2O}n (), {[Co(L)(nba)]·5H2O}n (), and {[Co(L)(oba)]2·3H2O}n (), have been constructed from the rigid ligand L [L = 2,8-di(1H-imidazol-1-yl)dibenzofuran] and different flexible carboxylic acid ligands [H2ppda = 4,4'-(perfluoropropane-2,2-diyl)dibenzoic acid, H2nba = 4,4'-azanediyldibenzoic acid, and H2oba = 4,4'-oxydibenzoic acid]. Depending on the nature of the solvent systems, these five different coordination polymers were synthesized and characterized by single-crystal X-ray diffraction, IR, PXRD and elemental analysis. Compounds , and were obtained by a one-pot method, and then we utilized the solvent-induced effect to obtain almost pure crystals of , respectively. Compound is an infinite 1D chain which is formed by L ligands and Co atoms. Compound contains a [Co2(CO2)4] secondary building unit (SBU), and can be topologically represented as a 6-connected 2-fold interpenetrating pcu net with the point symbol of {4(12)·6(3)}. Compound can be characterized as a 4-connected sql tetragonal planar network with the point symbol of {4(4)·6(2)}. In compounds and , there is a 1D chain which is formed by flexible carboxylic acid ligands and Co atoms; then the 1D chain is linked by L ligands in the tilting direction, leading to the formation of a 2D layer. Furthermore, UV-vis, TGA and magnetic properties have been investigated in detail. PMID:25778448

  5. Solvent-templated supramolecular isomerism in 2D coordination polymer constructed by Ni(II)2Co(II) nodes and dicyanamido spacers: drastic change in magnetic behaviours.

    PubMed

    Ghosh, Soumavo; Mukherjee, Sandip; Seth, Piya; Mukherjee, Partha Sarathi; Ghosh, Ashutosh

    2013-10-01

    Two heterometallic coordination polymers (CPs) have been prepared using [Ni(II)L]2Co(II) (where H2L = N,N'-bis(salicylidene)-1,3-propanediamine) as nodes and dicyanamido spacers by varying the solvent for synthesis. Structural characterizations revealed that methanol assisted the formation of a two-dimensional (4,4) connected rhombic grid network of [(NiL)2Co(NCNCN)2]? (1a) whereas relatively less polar acetonitrile afforded a different superstructure {[(NiL)2Co(NCNCN)2]·CH3CN}? (1b) with a two-dimensional (4,4) connected square grid network. The presence of acetonitrile molecules in the structure of 1b seems to change the spatial orientation of the terminal metalloligands [NiL] from pseudo-eclipsed in 1a to staggered-like in 1b around the central Co(II). These structural changes in the nodes together with the conformationally flexible dicyanamido spacers, which are cis coordinated to the Co(II) in both trinuclear units, led to the differences in the final 2D network. Variable-temperature magnetic susceptibility measurements revealed that this supramolecular isomerism led to a drastic transition from spin-frustrated antiferromagnetism for 1a to a dominant ferromagnetic behaviour for 1b. The geometrical differences in Ni2Co coordination clusters (CCs) which are scalene triangular in 1a but nearly linear in 1b, are held responsible for the changes of the magnetic properties. The DFT calculations of exchange interactions between metal centres provide a clear evidence of the role played by the fundamental geometrical factors on the nature and magnitude of the magnetic coupling in these pseudo-polymorphic CPs. PMID:23900267

  6. Coordination polymers of Mn2+ and Dy3+ ions built with a bent tricarboxylate: metamagnetic and weak anti-ferromagnetic behavior.

    PubMed

    Lama, Prem; Sañudo, E Carolina; Bharadwaj, Parimal K

    2012-03-14

    Two new coordination polymers have been synthesized with Mn(2+) and Dy(3+) ions using a new bent ether-bridged tricarboxylic acid ligand, o-cpiaH(3) (5-(2-carboxy-phenoxy)-isophthalic acid). The ligand readily reacts with a Mn(2+) salt in presence of pyridine (py) under hydrothermal condition to afford a 3D coordination polymer {[Mn(9)(o-cpia)(6)(py)(3)(3H(2)O)]·H(2)O}(n) (1), that contains two types of polymeric chains. One of them is merely carboxylate bridged Mn(2+) where each metal ion shows both penta- and hexa-coordination. The other chain consists of carboxylate-bridging along with terminally bound pyridines providing both penta- and hexa-coordination to each metal ion. When o-cpiaH(3) is treated with Dy(NO(3))(3).xH(2)O under solvothermal condition, it gives rise to an unusual double layer (6,6) connected 2D coordination polymer {[Dy(o-cpia)]}(n)(2), where each metal ion is hexacoordinated. The double layer 2D sheets are stacked to each other in AA··· fashion through strong C-H···? interactions to generate an overall 3D supramolecular architecture. Both the complexes have been characterized by single crystal X-ray diffraction, IR spectroscopy, thermogravimetry and elemental analysis. Variable temperature magnetic susceptibility measurements indicate that 1 exhibits metamagnetic behavior while 2 shows weak antiferromagnetic behavior. PMID:22274709

  7. Part I. Student success in intensive versus traditional introductory chemistry courses. Part II. Synthesis of salts of the weakly coordinating trisphat anion

    NASA Astrophysics Data System (ADS)

    Hall, Mildred V.

    Part I. Intensive courses have been shown to be associated with equal or greater student success than traditional-length courses in a wide variety of disciplines and education levels. Student records from intensive and traditional-length introductory general chemistry courses were analyzed to determine the effects, of the course format, the level of academic experience, life experience (age), GPA, academic major and gender on student success in the course. Pretest scores, GPA and ACT composite scores were used as measures of academic ability and prior knowledge; t-tests comparing the means of these variables were used to establish that the populations were comparable prior to the course. Final exam scores, total course points and pretest-posttest differences were used as measures of student success; t-tests were used to determine if differences existed between the populations. ANCOVA analyses revealed that student GPA, pretest scores and course format were the only variables tested that were significant in accounting for the variance of the academic success measures. In general, the results indicate that students achieved greater academic success in the intensive-format course, regardless of the level of academic experience, life experience, academic major or gender. Part II. Weakly coordinating anions have many important applications, one of which is to function as co-catalysts in the polymerization of olefins by zirconocene. The structure of tris(tetrachlorobenzenedialato) phosphate(V) or "trisphat" anion suggests that it might be an outstanding example of a weakly coordinating anion. Trisphat acid was synthesized and immediately used to prepare the stable tributylammonium trisphat, which was further reacted to produce trisphat salts of Group I metal cations in high yields. Results of the 35Cl NQR analysis of these trisphat salts indicate only very weak coordination between the metal cations and the chlorine atoms of the trisphat anion.

  8. Silver-free activation of ligated gold(I) chlorides: the use of [Me3NB12Cl11]- as a weakly coordinating anion in homogeneous gold catalysis.

    PubMed

    Wegener, Michael; Huber, Florian; Bolli, Christoph; Jenne, Carsten; Kirsch, Stefan F

    2015-01-12

    Phosphane and N-heterocyclic carbene ligated gold(I) chlorides can be effectively activated by Na[Me3NB12Cl11] (1) under silver-free conditions. This activation method with a weakly coordinating closo-dodecaborate anion was shown to be suitable for a large variety of reactions known to be catalyzed by homogeneous gold species, ranging from carbocyclizations to heterocyclizations. Additionally, the capability of 1 in a previously unknown conversion of 5-silyloxy-1,6-allenynes was demonstrated. PMID:25394284

  9. Versatile Reactivity of a Solvent-Coordinated Diiron(II) Compound: Synthesis and Dioxygen Reactivity of a Mixed Valent FeIIFeIII Species

    PubMed Central

    Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.

    2014-01-01

    A new, DMF-coordinated, pre-organized diiron compound [Fe2(N-Et-HPTB)(DMF)4](BF4)3 (1) was synthesized, avoiding the formation of [Fe(N-Et-HPTB)](BF4)2 (10) and [Fe2(N-Et-HPTB)(?-MeCONH)](BF4)2 (11), where N-Et-HPTB is the anion of N,N,N’,N’-tetrakis(2-(1-ethylbenzimidazolyl))-2-hydroxy-1,3-diaminopropane. Compound 1 is a versatile reactant from which nine new compounds have been generated. Transformations include solvent exchange to yield [Fe2(N-Et-HPTB)(MeCN)4](BF4)3 (2), substitution to afford [Fe2(N-Et-HPTB)(?-RCOO)](BF4)2 (3, R = Ph; 4, RCOO = 4-methyl-2,6-diphenyl benzoate]), one-electron oxidation by (Cp2Fe)(BF4) to yield a Robin-Day class II mixed valent diiron(II,III) compound, [Fe2(N-Et-HPTB)(?-PhCOO)(DMF)2](BF4)3 (5), two-electron oxidation with tris(4-bromophenyl)aminium hexachloroantimonate to generate [Fe2(N-Et-HPTB)Cl3(DMF)](BF4)2 (6), reaction with TEMPO (2,2,6,6-tetramethylpiperidin-1-yl)oxyl) to form [Fe5(N-Et-HPTB)2(?-OH)4(?-O)(DMF)2](BF4)4 (7), and reaction with dioxygen to yield an unstable peroxo compound that decomposes at room temperature to generate [Fe4(N-Et-HPTB)2(?-O)3(H2O)2](BF4)·8DMF (8) and [Fe4(N-Et-HPTB)2(?-O)4](BF4)2 (9). Compound 5 loses its bridging benzoate ligand upon further oxidation to form [Fe2(N-Et-HPTB)(OH)2(DMF)2](BF4)3 (12). Reaction of the diiron(II,III) compound (5) with dioxygen was studied in detail by spectroscopic methods. All compounds (1-12) were characterized by single crystal X-ray structure determinations. Selected compounds and reaction intermediates were further examined by a combination of elemental analysis, electronic absorption spectroscopy, Mössbauer spectroscopy, EPR spectroscopy, resonance Raman spectroscopy, and cyclic voltammetry. PMID:24359397

  10. Magnetic properties of weakly exchange-coupled high spin Co(II) ions in pseudooctahedral coordination evaluated by single crystal X-band EPR spectroscopy and magnetic measurements.

    PubMed

    Neuman, Nicolás I; Winkler, Elín; Peña, Octavio; Passeggi, Mario C G; Rizzi, Alberto C; Brondino, Carlos D

    2014-03-01

    We report single-crystal X-band EPR and magnetic measurements of the coordination polymer catena-(trans-(?2-fumarato)tetraaquacobalt(II)), 1, and the Co(II)-doped Zn(II) analogue, 2, in different Zn:Co ratios. 1 presents two magnetically inequivalent high spin S = 3/2 Co(II) ions per unit cell, named A and B, in a distorted octahedral environment coordinated to four water oxygen atoms and trans coordinated to two carboxylic oxygen atoms from the fumarate anions, in which the Co(II) ions are linked by hydrogen bonds and fumarate molecules. Magnetic susceptibility and magnetization measurements of 1 indicate weak antiferromagnetic exchange interactions between the S = 3/2 spins of the Co(II) ions in the crystal lattice. Oriented single crystal EPR experiments of 1 and 2 were used to evaluate the molecular g-tensor and the different exchange coupling constants between the Co(II) ions, assuming an effective spin S?= 1/2. Unexpectedly, the eigenvectors of the molecular g-tensor were not lying along any preferential bond direction, indicating that, in high spin Co(II) ions in roughly octahedral geometry with approximately axial EPR signals, the presence of molecular pseudo axes in the metal site does not determine preferential directions for the molecular g-tensor. The EPR experiment and magnetic measurements, together with a theoretical analysis relating the coupling constants obtained from both techniques, allowed us to evaluate selectively the exchange coupling constant associated with hydrogen bonds that connect magnetically inequivalent Co(II) ions (|JAB(1/2)| = 0.055(2) cm(–1)) and the exchange coupling constant associated with a fumarate bridge connecting equivalent Co(II) ions (|JAA(1/2)| ? 0.25 (1) cm(–1)), in good agreement with the average J(3/2) value determined from magnetic measurements. PMID:24528370

  11. Solvent interactions with a triphenylated benzoxazole polymer 

    E-print Network

    Eversdyk, David Allen

    1977-01-01

    solubility parameter for the pclymer, A for the solvent, and Hansen's polar solubility parameters for the solvent and polymer indicated that the best solvents of tripheny- lated PBO would be m-cresol, phenol, and the carboxylic acids. Laboratory tests... for this lack of solubility, at least in the case of PBO, might be due to the morphology of the material heing such that solvent diffusion is not possible to many polymer chains by large, weakly interacti. ng solvents. However, diffusion is observed...

  12. Solvent-induced syntheses, crystal structures, magnetic properties, and single-crystal-to-single-crystal transformation of azido-Cu(II) coordination polymers with 2-naphthoic acid as co-ligand.

    PubMed

    Liu, Xiangyu; Cen, Peipei; Li, Hui; Ke, Hongshan; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli

    2014-08-01

    Based on the solvent-induced effect, three new azido-copper coordination polymers--[Cu(2-na)(N3)] (1), [Cu(2-na)(N3)] (2), and [Cu(2-na)(N3)(C2H5OH)] (3) (where 2-na = 2-naphthoic acid)--have been successfully prepared. Structure analysis shows that the Cu(II) cations in compounds 1-3 present tetra-, penta-, and hexa-coordination geometries, respectively. Compound 1 is a well-isolated one-dimensional (1D) chain with the EO-azido group, while 2 is an isomer of 1 and exhibits a two-dimensional (2D) layer involving the EE-azido group. Thermodynamically, density functional theory (DFT) calculation reveals that 2 occupies the stable state and 1 locates in the metastable state. Compound 3 consists of a 1D chain with triple bridging mode, which is derived from 1, and undergoes a single-crystal-to-single-crystal transformation by soaking in ethanol solvent; the powdery product of 1, namely 1b, could be yielded after the dealcoholization of compound 3. Magnetic measurements indicate that compounds 1-3 perform strong intrachain ferromagnetic interactions, experiencing long-range magnetic ordering and slow magnetic relaxation. Compound 1 features the metamagnetic behavior with a transition temperature of 15 K, while 2 and 3 display spin glass behavior with the phase transition temperatures of 15 and 12 K, respectively. Magneto-structure relationships are investigated as well. PMID:25014208

  13. Selective Removal of Alkali Metal Cations from Multiply-Charged Ions via Gas-Phase Ion/Ion Reactions Using Weakly Coordinating Anions

    NASA Astrophysics Data System (ADS)

    Luongo, Carl A.; Bu, Jiexun; Burke, Nicole L.; Gilbert, Joshua D.; Prentice, Boone M.; Cummings, Steven; Reed, Christopher A.; McLuckey, Scott A.

    2015-03-01

    Selective removal of alkali metal cations from mixed cation multiply-charged peptide ions is demonstrated here using gas-phase ion/ion reactions with a series of weakly coordinating anions (WCAs), including hexafluorophosphate (PF6 -), tetrakis[3,5-bis(trifluoromethyl)phenyl]borate (BARF), tetrakis(pentafluorophenyl)borate (TPPB), and carborane (CHB11Cl11 -). In all cases, a long-lived complex is generated by dication/anion condensation followed by ion activation to compare proton transfer with alkali ion transfer from the peptide to the anion. The carborane anion was the only anion studied to undergo dissociation exclusively through loss of the metallated anion, regardless of the studied metal adduct. All other anions studied yield varying abundances of protonated and metallated peptide depending on the peptide sequence and the metal identity. Density functional theory calculations suggest that for the WCAs studied, metal ion transfer is most strongly favored thermodynamically, which is consistent with the experimental results. The carborane anion is demonstrated to be a robust reagent for the selective removal of alkali metal cations from peptide cations with mixtures of excess protons and metal cations.

  14. Selective removal of alkali metal cations from multiply-charged ions via gas-phase ion/ion reactions using weakly coordinating anions.

    PubMed

    Luongo, Carl A; Bu, Jiexun; Burke, Nicole L; Gilbert, Joshua D; Prentice, Boone M; Cummings, Steven; Reed, Christopher A; McLuckey, Scott A

    2015-03-01

    Selective removal of alkali metal cations from mixed cation multiply-charged peptide ions is demonstrated here using gas-phase ion/ion reactions with a series of weakly coordinating anions (WCAs), including hexafluorophosphate (PF6 (-)), tetrakis[3,5-bis(trifluoromethyl)phenyl]borate (BARF), tetrakis(pentafluorophenyl)borate (TPPB), and carborane (CHB11Cl11 (-)). In all cases, a long-lived complex is generated by dication/anion condensation followed by ion activation to compare proton transfer with alkali ion transfer from the peptide to the anion. The carborane anion was the only anion studied to undergo dissociation exclusively through loss of the metallated anion, regardless of the studied metal adduct. All other anions studied yield varying abundances of protonated and metallated peptide depending on the peptide sequence and the metal identity. Density functional theory calculations suggest that for the WCAs studied, metal ion transfer is most strongly favored thermodynamically, which is consistent with the experimental results. The carborane anion is demonstrated to be a robust reagent for the selective removal of alkali metal cations from peptide cations with mixtures of excess protons and metal cations. PMID:25560986

  15. Toward advanced ionic liquids. Polar, enzyme-friendly solvents for biocatalysis

    Microsoft Academic Search

    Johnathan Gorke; Friedrich Srienc; Romas Kazlauskas

    2010-01-01

    Ionic liquids, also called molten salts, are mixtures of cations and anions that melt below 100°C. Typical ionic liquids are\\u000a dialkylimidazolium cations with weakly coordinating anions such as (MeOSO3) or (PF6). Advanced ionic liquids such as choline citrate have biodegradable, less expensive, and less toxic anions and cations. Deep\\u000a eutectic solvents are also included in the advanced ionic liquids. Deep

  16. Solvent substitution

    SciTech Connect

    Not Available

    1990-01-01

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

  17. Solvent and Temperature Induced Switching Between Structural Isomers of RhI Phosphinoalkyl Thioether (PS) Complexes

    PubMed Central

    Wiester, Michael J.; Braunschweig, Adam B.; Mirkin, Chad A.

    2010-01-01

    To develop functional systems based on the weak-link approach (WLA), it is important to understand how solvent and ligand binding strength alter the coordination geometry of complexes formed from this method. A series of phosphinoalkyl thioether (PS) hemilabile ligands with varying electron donating abilities were synthesized and incorporated into homoligated RhI(PS)2Cl complexes to help understand the effects of solvent and ligand binding strength on the preferred coordination modes. The switching between closed and semi-open structural isomers of these RhI(PS)2Cl complexes was studied by variable temperature 31P NMR spectroscopy in different solvent mixtures of CH2Cl2 and THF to obtain thermodynamic parameters (?G°, ?H°, T?S°, and Keq). The isomers differ in the position of the chloride counterion. In the closed isomer, the Cl? anion occupies the outer coordination sphere, while in the semi-open isomer, the Cl? has moved inner sphere and displaced one of the Rh-S bonds. The closed isomer is favored in CH2Cl2 and the semi-open isomer is favored in THF. The preference for either isomer at equilibrium depends on the solvent polarity, based upon the ETN solvent polarity scale, as was determined from 15 different solvents, with more polar solvents favoring the closed isomer. The isomer preference also depends on the electron donating ability of the group attached to the sulfur of the PS ligand, with electron donating groups favoring the closed isomers and electron withdrawing groups favoring the semi-open isomers. The formation of the semi-open isomer from the closed isomer is entropically favored but enthalpically disfavored under all conditions studied. Elucidation of the principles and environments that determine the equilibrium between the two isomers will aid in the design of functional complexes prepared by the WLA. PMID:20617809

  18. High ethene/ethane selectivity in 2,2'-bipyridine-based silver(i) complexes by removal of coordinated solvent.

    PubMed

    Cowan, Matthew G; McDanel, William M; Funke, Hans H; Kohno, Yuki; Gin, Douglas L; Noble, Richard D

    2015-05-01

    Following removal of coordinated CH3 CN, the resulting complexes [Ag(I) (2,2'-bipyridine)][BF4 ] (1) and [Ag(I) (6,6'-dimethyl-2,2'-bipyridine)][OTf] (2) show ethene/ethane sorption selectivities of 390 and 340, respectively, and corresponding ethene sorption capacities of 2.38 and 2.18?mmol?g(-1) when tested at an applied gas pressure of 90?kPa and a temperature of (20±1)?°C. These ethene/ethane selectivities are 13 times higher than those reported for known solid sorbents for ethene/ethane separation. For 2, ethene sorption reached 90?% of equilibrium capacity within 15?minutes, and this equilibrium capacity was maintained over the three sorption/desorption cycles tested. The rates of ethene sorption were also measured. To our knowledge, these are the first complexes, designed for olefin/paraffin separations, which have open silver(I) sites. The high selectivities arise from these open silver(I) sites and the relatively low molecular surface areas of the complexes. PMID:25765760

  19. A hemidirected 1-D coordination polymer [Pb 2(H 2O) 2(HBTC) 2] · 3H 2O extended in holodirected 3-D by weak Pb–O interactions

    Microsoft Academic Search

    Jing Shi; Jun-Wei Ye; Tian-You Song; Dao-Jun Zhang; Kui-Rong Ma; Jing Ha; Jia-Ning Xu; Ping Zhang

    2007-01-01

    A new complex, [Pb2(H2O)2(HBTC)2]·3H2O (H3BTC=1,3,5-Benzenetricarboxylic acid) (1), has been synthesized under hydrothermal condition. The single-crystal analysis shows that 1 consists of 1-D double-chains with Pb(II) six-coordinated by three H3BTC and one H2O molecule with the Pb–O bond distances in the range of 2.56–2.76Å. When the Pb–O bonding limit extends from 2.76 to 2.90Å, the potential weak bonds of Pb–O can

  20. The frozen solution structure of p21 ras determined by ESEEM spectroscopy reveals weak coordination of Thr35 to the active site metal ion

    Microsoft Academic Search

    Christian T Farrar; Christopher J Halkides; David J Singel

    1997-01-01

    Background: The G protein p21 ras is a molecular switch in the signal transduction pathway for cellular growth and differentiation. Hydrolysis of tightly bound GTP alters the conformation of p21, terminating the signal. The coordination of the p21 residue Thr35 to Mg2+ in its active site, which has been observed in the crystal structure of p21 in complex with a

  1. Solvent wash solution

    DOEpatents

    Neace, James C. (Blackville, SC)

    1986-01-01

    Process for removing diluent degradation products from a solvent extraction solution, which has been used to recover uranium and plutonium from spent nuclear fuel. A wash solution and the solvent extraction solution are combined. The wash solution contains (a) water and (b) up to about, and including, 50 volume percent of at least one-polar water-miscible organic solvent based on the total volume of the water and the highly-polar organic solvent. The wash solution also preferably contains at least one inorganic salt. The diluent degradation products dissolve in the highly-polar organic solvent and the organic solvent extraction solvent do not dissolve in the highly-polar organic solvent. The highly-polar organic solvent and the extraction solvent are separated.

  2. Hydrogen Bond-Directed Hexagonal Frameworks Based on Coordinated 1,3,5-Benzenetricarboxylate

    NASA Astrophysics Data System (ADS)

    Kepert, C. J.; Prior, T. J.; Rosseinsky, M. J.

    2000-06-01

    We report two phases containing the hexagonal (6,3) network of the graphene sheet derived by tridentate coordination of 1,3,5-benzenetricarboxylate to octahedral NiII centers. When the solvent used is 2-methyl-1-butanol, water directs the coordination about NiII and ABCA?B?C? stacking of layers is obtained. The use of 1-butanol as solvent gives a different hydrogen-bonding arrangement around NiII and produces AAA stacking of the layers. We have previously demonstrated that the use of other alcohols such as methanol, ethanol, 1,2-ethanediol, and 1,2-propanediol leads to the formation of 3-D architectures. Here we show that a change in the hydrogen bonding around the metal center leads to 2-D structures which house substantial solvent-filled microcavities. The comparatively weak interactions between layers, and the relative importance of framework-solvent interactions, facilitates slippage of the hexagonal sheets and interconversion between stacking type with guest exchange.

  3. Separation of Rare Earths by Solvent Extraction

    Microsoft Academic Search

    N. V. THAKUR

    2000-01-01

    Solvent extraction technology for the separation of rare earths is a recent one. This is mainly due to the low separation factors between the adjacent rare earths for any type of extractants that have been investigated so far. In spite of this inherent weakness arising due to the gradual small changes in basicity in the series of rare earths few

  4. Solvents safety handbook

    SciTech Connect

    De Renzo, D.J.

    1986-01-01

    Know solvents and how to protect yourself from dangerous exposure to them. Instant information for decision-making regarding industrial solvents in everyday use, is provided in this handbook which is a compilation of data on 335 hazardous and frequently-used solvents.

  5. Cleaning without chlorinated solvents

    Microsoft Academic Search

    L. M. Thompson; R. F. Simandl

    1994-01-01

    Because of health and environmental concerns, many regulations have been passed in recent years regarding the use of chlorinated solvents. The Oak Ridge Y-12 Plant has had an active program to find alternatives for these solvents used in cleaning applications for the past 7 years. During this time frame, the quantity of solvents purchased has been reduced by 92%. The

  6. Solvent recycle/recovery

    SciTech Connect

    Paffhausen, M.W.; Smith, D.L.; Ugaki, S.N.

    1990-09-01

    This report describes Phase I of the Solvent Recycle/Recovery Task of the DOE Chlorinated Solvent Substitution Program for the US Air Force by the Idaho National Engineering Laboratory, EG G Idaho, Inc., through the US Department of Energy, Idaho Operations Office. The purpose of the task is to identify and test recovery and recycling technologies for proposed substitution solvents identified by the Biodegradable Solvent Substitution Program and the Alternative Solvents/Technologies for Paint Stripping Program with the overall objective of minimizing hazardous wastes. A literature search to identify recycle/recovery technologies and initial distillation studies has been conducted. 4 refs.

  7. Deep eutectic solvents as novel extraction media for phenolic compounds from model oil.

    PubMed

    Gu, Tongnian; Zhang, Mingliang; Tan, Ting; Chen, Jia; Li, Zhan; Zhang, Qinghua; Qiu, Hongdeng

    2014-10-11

    Deep eutectic solvents (DES) as a new kind of green solvent were used for the first time to excellently extract phenolic compounds from model oil. It was also proved that DES could be used to extract other polar compounds from non-polar or weakly-polar solvents by liquid-phase microextraction. PMID:25144155

  8. Insights into water coordination associated with the Cu(II)/Cu(I) electron transfer at a biomimetic Cu centre.

    PubMed

    Porras Gutiérrez, Ana Gabriela; Zeitouny, Joceline; Gomila, Antoine; Douziech, Bénédicte; Cosquer, Nathalie; Conan, Françoise; Reinaud, Olivia; Hapiot, Philippe; Le Mest, Yves; Lagrost, Corinne; Le Poul, Nicolas

    2014-05-01

    The coordination properties of the biomimetic complex [Cu(TMPA)(H2O)](CF3SO3)2 (TMPA = tris(2-pyridylmethyl)amine) have been investigated by electrochemistry combined with UV-Vis and EPR spectroscopy in different non-coordinating media including imidazolium-based room-temperature ionic liquids, for different water contents. The solid-state X-ray diffraction analysis of the complex shows that the cupric centre lies in a N4O coordination environment with a nearly perfect trigonal bipyramidal geometry (TBP), the water ligand being axially coordinated to Cu(II). In solution, the coordination geometry of the complex remains TBP in all media. Neither the triflate ion nor the anions of the ionic liquids were found to coordinate the copper centre. Cyclic voltammetry in all media shows that the decoordination of the water molecule occurs upon monoelectronic reduction of the Cu(II) complex. Back-coordination of the water ligand at the cuprous state can be detected by increasing the water content and/or decreasing the timescale of the experiment. Numerical simulations of the voltammograms allow the determination of kinetics and thermodynamics for the water association-dissociation mechanism. The resulting data suggest that (i) the binding/unbinding of water at the Cu(I) redox state is relatively slow and equilibrated in all media, and (ii) the binding of water at Cu(I) is somewhat faster in the ionic liquids than in the non-coordinating solvents, while the decoordination process is weakly sensitive to the nature of the solvents. These results suggest that ionic liquids favour water exchange without interfering with the coordination sphere of the metal centre. This makes them promising media for studying host-guest reactions with biomimetic complexes. PMID:24619011

  9. Weak Deeply Virtual Compton Scattering

    SciTech Connect

    Ales Psaker; Wolodymyr Melnitchouk; Anatoly Radyushkin

    2007-03-01

    We extend the analysis of the deeply virtual Compton scattering process to the weak interaction sector in the generalized Bjorken limit. The virtual Compton scattering amplitudes for the weak neutral and charged currents are calculated at the leading twist within the framework of the nonlocal light-cone expansion via coordinate space QCD string operators. Using a simple model, we estimate cross sections for neutrino scattering off the nucleon, relevant for future high intensity neutrino beam facilities.

  10. coordinate plane

    NSDL National Science Digital Library

    olsen

    2010-10-07

    Become familiar with the coordinate plane. Learn the quadrants and how to graph points and read points on a coordinate plane. You are required to do the assignment and take the quiz. The other resources are to help prepare you for the quiz and book assignment. This is a quick review of the lesson.The Coordinate Plane This is a game to practice plotting and reading points.coordinates game *Assignment: Watch Powerpoint 3.3 and fill in your ...

  11. Solvent extraction of diatomite

    SciTech Connect

    Williams, W.

    1984-07-24

    There is provided a method of extracting hydrocarbons from a diatomite ore. The particle size of the ore is first reduced to form a processed ore. The processed ore is then mixed with a substantially irregular granular material to form an unstratified ore mixture having increased permeability to an extracting solvent. The unstratified ore mixture is then permeated with an extracting solvent to obtain a hydrocarbon-solvent stream from which hydrocarbons are subsequently separated. The irregular granular material may be sand.

  12. Solvent-Induced Change of Electronic Spectra and Magnetic Susceptibility of Co(II) Coordination Polymer with 2,4,6-Tris(4-pyridyl)-1,3,5-triazine.

    PubMed

    Polunin, Ruslan A; Burkovskaya, Nataliya P; Satska, Juliya A; Kolotilov, Sergey V; Kiskin, Mikhail A; Aleksandrov, Grigory G; Cador, Olivier; Ouahab, Lahcène; Eremenko, Igor L; Pavlishchuk, Vitaly V

    2015-06-01

    One-dimensional coordination polymer [Co(Piv)2(4-ptz)(C2H5OH)2]n (compound 1, Piv(-) = pivalate, 4-ptz = 2,4,6-tris(4-pyridyl)-1,3,5-triazine) was synthesized by interaction of Co(II) pivalate with 4-ptz. Desolvation of 1 led to formation of [Co(Piv)2(4-ptz)]n (compound 2), which adsorbed N2 and H2 at 78 K as a typical microporous sorbent. In contrast, absorption of methanol and ethanol by 2 at 295 K led to structural transformation probably connected with coordination of these alcohols to Co(II). Formation of 2 from 1 was accompanied by change of color of sample from orange to brown and more than 2-fold decrease of molar magnetic susceptibility (?M) in the temperature range from 2 to 300 K. Resolvation of 2 by ethanol or water resulted in restoration of spectral characteristics and ?M values almost to the level of that of 1. ?MT versus T curves for 1 and samples, obtained by resolvation of 2 by H2O or C2H5OH, were fitted using a model for Co(II) complex with zero-field splitting of this ion. PMID:25974728

  13. Solvent dewatering coal

    Microsoft Academic Search

    D. E. Hardesty; H. F. Buchholz

    1984-01-01

    Drying of wet coal is facilitated by the addition of a nonaqueous solvent, such as acetone, to the coal followed by application of heat to remove both solvent and water from the coal. The coal may be further upgraded by briquetting or pelletizing fine coal particles with waxes and resins extracted from the coal, or the waxes and resins may

  14. ONSITE SOLVENT RECOVERY

    EPA Science Inventory

    This study evaluated the product quality, waste reduction/pollution prevention, and economic aspects of three technologies for onsite solvent recovery: atmospheric batch distillation, vacuum heat-pump distillation, and a low-emission vapor degreaser with closed solvent, liquid an...

  15. Sustainable Coordination

    Microsoft Academic Search

    Martin Fredriksson; Rune Gustavsson; Alessandro Ricci

    2003-01-01

    Coordination, accounting for the global coherence of system behaviour, is a fundamental aspect of complex multi-agent systems.\\u000a As such, coordination in multi-agent systems provides a suitable level of abstraction to deal with system organisation and\\u000a control. However, current coordination approaches in multi-agent systems are not always fully equipped to model and support\\u000a the global coherence of open computational systems, i.e.,

  16. Continuous countercurrent membrane column for the separation of solute/solvent and solvent/solvent systems

    DOEpatents

    Nerad, Bruce A. (Longmont, CO); Krantz, William B. (Boulder, CO)

    1988-01-01

    A reverse osmosis membrane process or hybrid membrane - complementary separator process for producing enriched product or waste streams from concentrated and dilute feed streams for both solvent/solvent and solute/solvent systems is described.

  17. CHLORINATED SOLVENT PLUME CONTROL

    EPA Science Inventory

    This lecture will cover recent success in controlling and assessing the treatment of shallow ground water plumes of chlorinated solvents, other halogenated organic compounds, and methyl tert-butyl ether (MTBE)....

  18. Astronomical Coordinates

    NSDL National Science Digital Library

    David Joiner

    The celestial coordinate system is a projection of earth's coordinate system into the celestial sphere. Being just like Earth's system it contains an "equator", lines of "latitude" and "longitude", and even poles. (Though we don't use the same words for it.) One suggestion one might have would be to just extend the Earth's latitude, longitude, and equator out into the night sky, but the Earth is constantly spinning. For the Celestial coordinates, we have to pick some fixed reference to go by.

  19. Supercritical solvent coal extraction

    NASA Technical Reports Server (NTRS)

    Compton, L. E. (inventor)

    1984-01-01

    Yields of soluble organic extract are increased up to about 50% by the supercritical extraction of particulate coal at a temperature below the polymerization temperature for coal extract fragments (450 C.) and a pressure from 500 psig to 5,000 psig by the conjoint use of a solvent mixture containing a low volatility, high critical temperature coal dissolution catalyst such as phenanthrene and a high volatility, low critical temperature solvent such as toluene.

  20. Cleaning without chlorinated solvents

    SciTech Connect

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

    1994-12-31

    Because of health and environmental concerns, many regulations have been passed in recent years regarding the use of chlorinated solvents. The Oak Ridge Y-12 Plant has had an active program to find alternatives for these solvents used in cleaning applications for the past 7 years. During this time frame, the quantity of solvents purchased has been reduced by 92%. The program has been a twofold effort. Vapor degreasers used in batch cleaning-operations have been replaced by ultrasonic cleaning with aqueous detergent, and other organic solvents have been identified for use in hand-wiping or specialty operations. In order to qualify these alternatives for use, experimentation was conducted on cleaning ability as well as effects on subsequent operations such as welding, painting and bonding. Cleaning ability was determined using techniques such as X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FTIR) which are capable of examining monolayer levels of contamination on a surface. Solvents have been identified for removal of rust preventative oils, lapping oils, machining coolants, lubricants, greases, and mold releases. Solvents have also been evaluated for cleaning urethane foam spray guns, swelling of urethanes and swelling of epoxies.

  1. Geoboard - Coordinate

    NSDL National Science Digital Library

    1999-01-01

    This interactive Java applet lets users explore the coordinate plane through the use of a Geoboard. The user places bands on the board where each peg is at an integer coordinate. Once a band has been placed, the applet outputs the perimeter and area of the shape or, if bands are placed as line segments, the applet outputs the distance and slope of the segment.

  2. Hydrogen Bond Lifetimes and Energetics for Solute/Solvent Complexes Studied with 2D-IR Vibrational Echo Spectroscopy

    E-print Network

    Fayer, Michael D.

    Hydrogen Bond Lifetimes and Energetics for Solute/Solvent Complexes Studied with 2D-IR Vibrational@stanford.edu Abstract: Weak hydrogen-bonded solute/solvent complexes are studied with ultrafast two the dissociation and formation rates of the hydrogen-bonded complexes. The dissociation rates of the weak hydrogen

  3. Weaving the Web Using Coordination

    Microsoft Academic Search

    Paolo Ciancarini; Robert Tolksdorf; Fabio Vitali

    1996-01-01

    The rapid developments in the field of distributed, internetworked systems, especially the World Wide Web (WWW), allow the design and implementation of rich environments including a wide variety of services and users. The capabilities of WWW however are quite weak to support the necessities of its demanding users, lacking in coordination capabilities, which instead would be useful to create a

  4. Solvent resistant copolyimide

    NASA Technical Reports Server (NTRS)

    Chang, Alice C. (Inventor); St. Clair, Terry L. (Inventor)

    1995-01-01

    A solvent resistant copolyimide was prepared by reacting 4,4'-oxydiphthalic anhydride with a diaimine blend comprising, based on the total amount of the diamine blend, about 75 to 90 mole percent of 3,4'-oxydianiline and about 10 to 25 mole percent p-phenylene diamine. The solvent resistant copolyimide had a higher glass transition temperature when cured at 350.degree. , 371.degree. and 400.degree. C. than LaRC.TM.-IA. The composite prepared from the copolyimide had similar mechanical properties to LaRC.TM.-IA. Films prepared from the copolyimide were resistant to immediate breakage when exposed to solvents such as dimethylacetamide and chloroform. The adhesive properties of the copolyimide were maintained even after testing at 23.degree., 150.degree., 177.degree. and 204.degree. C.

  5. Safe battery solvents

    DOEpatents

    Harrup, Mason K. (Idaho Falls, ID); Delmastro, Joseph R. (Idaho Falls, ID); Stewart, Frederick F. (Idaho Falls, ID); Luther, Thomas A. (Idaho Falls, ID)

    2007-10-23

    An ion transporting solvent maintains very low vapor pressure, contains flame retarding elements, and is nontoxic. The solvent in combination with common battery electrolyte salts can be used to replace the current carbonate electrolyte solution, creating a safer battery. It can also be used in combination with polymer gels or solid polymer electrolytes to produce polymer batteries with enhanced conductivity characteristics. The solvents may comprise a class of cyclic and acyclic low molecular weight phosphazenes compounds, comprising repeating phosphorus and nitrogen units forming a core backbone and ion-carrying pendent groups bound to the phosphorus. In preferred embodiments, the cyclic phosphazene comprises at least 3 phosphorus and nitrogen units, and the pendent groups are polyethers, polythioethers, polyether/polythioethers or any combination thereof, and/or other groups preferably comprising other atoms from Group 6B of the periodic table of elements.

  6. Halogenated solvent remediation

    DOEpatents

    Sorenson, Kent S.

    2004-08-31

    Methods for enhancing bioremediation of ground water contaminated with nonaqueous halogenated solvents are disclosed. A preferred method includes adding a composition to the ground water wherein the composition is an electron donor for microbe-mediated reductive dehalogenation of the halogenated solvents and enhances mass transfer of the halogenated solvents from residual source areas into the aqueous phase of the ground water. Illustrative compositions effective in these methods include surfactants such as C.sub.2 -C.sub.4 carboxylic acids and hydroxy acids, salts thereof, esters of C.sub.2 -C.sub.4 carboxylic acids and hydroxy acids, and mixtures thereof. Especially preferred compositions for use in these methods include lactic acid, salts of lactic acid, such as sodium lactate, lactate esters, and mixtures thereof. The microbes are either indigenous to the ground water, or such microbes can be added to the ground water in addition to the composition.

  7. Solvent dewatering coal

    SciTech Connect

    Hardesty, D.E.; Buchholz, H.F.

    1984-07-17

    Drying of wet coal is facilitated by the addition of a nonaqueous solvent, such as acetone, to the coal followed by application of heat to remove both solvent and water from the coal. The coal may be further upgraded by briquetting or pelletizing fine coal particles with waxes and resins extracted from the coal, or the waxes and resins may be left on the coal to reduce the tendency of the coal to reabsorb water. In addition, minerals such as sodium and potassium salts may be removed from the coal to reduce slagging and fouling behavior of the coal.

  8. Coordinates Constellations

    E-print Network

    Walter, Frederick M.

    ;Ecliptic Coordinates #12;Earth's Orbit #12;Analemma The position of the Sun at civil noon (standard time). This demonstrates: ·The inclination of the ecliptic ·The equation of time ·The non-circularity of Earth's orbit #12;Constellations · There are about 6000 stars visible to the naked eye under good conditions · About 2000

  9. COORDINATED AV.

    ERIC Educational Resources Information Center

    CLEAVES, PAUL C.; AND OTHERS

    THE INSTRUCTIONAL MATERIALS CENTER IS LOCATED IN THE LOCAL HIGH SCHOOL AND SUPPLIES ALL SCHOOLS IN THE AREA. AUDIOVISUAL EQUIPMENT ORDERS, AFTER SELECTIONS ARE MADE BY THE CLASSROOM TEACHER, ARE PROCESSED BY THE CENTER, CONFIRMED AND DELIVERED BY TRUCK THREE TIMES EACH WEEK. EACH SCHOOL HAS A BUILDING COORDINATOR WHO CHECKS THE ORDERS INTO THE…

  10. True and masked three-coordinate T-shaped platinum(II) intermediates

    PubMed Central

    Ortuño, Manuel A

    2013-01-01

    Summary Although four-coordinate square-planar geometries, with a formally 16-electron counting, are absolutely dominant in isolated Pt(II) complexes, three-coordinate, 14-electron Pt(II) complexes are believed to be key intermediates in a number of platinum-mediated organometallic transformations. Although very few authenticated three-coordinate Pt(II) complexes have been characterized, a much larger number of complexes can be described as operationally three-coordinate in a kinetic sense. In these compounds, which we have called masked T-shaped complexes, the fourth position is occupied by a very weak ligand (agostic bond, solvent molecule or counteranion), which can be easily displaced. This review summarizes the structural features of the true and masked T-shaped Pt(II) complexes reported so far and describes synthetic strategies employed for their formation. Moreover, recent experimental and theoretical reports are analyzed, which suggest the involvement of such intermediates in reaction mechanisms, particularly C–H bond-activation processes. PMID:23946831

  11. Automated solvent concentrator

    NASA Technical Reports Server (NTRS)

    Griffith, J. S.; Stuart, J. L.

    1976-01-01

    Designed for automated drug identification system (AUDRI), device increases concentration by 100. Sample is first filtered, removing particulate contaminants and reducing water content of sample. Sample is extracted from filtered residue by specific solvent. Concentrator provides input material to analysis subsystem.

  12. Influence of binary swelling solvents: Mechanism of action

    SciTech Connect

    Ding, R.; Tucker, D.; Kispert, L.D.

    1995-12-31

    This study addresses the dramatic up-take of a poor swelling solvent in Argonne Premium Coal Samples (APCS), Illinois No. 6, Beulah-Zap and Lewiston-Stockton when such a solvent is spiked with various amounts of the strong swelling solvent, pyridine. The unexpected up-take can be explained in terms of four different processes: (1) disruption of weak hydrogen bonds which isolate the interconnected micropore system; (2) disruption of weak hydrogen bonds which protect individual micropores; (3) competition of pyridine for the active sites involved in the hydrogen bonds or the {open_quotes}poisoning{close_quotes} of active sites; and (4) disruption of stronger hydrogen bonds within the macromolecules which causes an opening of the structure. When more than 5% pyridine is used, no additional disruption of the hydrogen-bonded network occurs. The structural changes were monitored by spin probe incorporation which was measured by EPR spectroscopy.

  13. Colorimetric solvent indicators based on Nafion membranes incorporating nickel(II)-chelate complexes.

    PubMed

    Hosokawa, Hitoshi; Funasako, Yusuke; Mochida, Tomoyuki

    2014-11-10

    To develop solvent-recognition films, Nafion membranes incorporating cationic nickel-chelate complexes, that is, [Ni(L(1))(L(2))](+) (HL(1) = acetylacetone, 2,2,6,6-tetramethyl-3,5-heptanedione; L(2) = N,N-diethylethylenediamine, N-butyl-N,N',N'-trimethylethylenediamine), were prepared. Immersion of the films in various solvents effected the color changes varying from red to pale blue green depending on the donor number of the solvents. The color change is based on an equilibrium shift between square-planar and solvent-coordinated octahedral geometries of the cations. The degree of the color change depended on the affinity of the incorporated complex to the solvent molecules. The films were robust and exhibited a reversible solvent response. The films exhibited thermochromism when a small amount of appropriate solvents were incorporated and changed from pale blue green at low temperatures to red at high temperatures. PMID:25308167

  14. DESIGNING ENVIRONMENTALLY BENIGN SOLVENT SUBSTITUTES

    EPA Science Inventory

    Since the signing of 1987 Montreal Protocol, reducing and eliminating the use of harmful solvents has become an internationally imminent environmental protection mission. Solvent substitution is an effective way to achieve this goal. The Program for Assisting the Replacement of...

  15. Coordinate Plane

    NSDL National Science Digital Library

    Miss Zilles

    2007-10-31

    5th Grade Math State core Standard 3, Objective 2a: Locate points defined by ordered pairs of integers. Congratulations for earning a game day in the computer lab! Remember that even though it is game day I expect you to stay on task and follow directions. We have been talking in math about graphing integers on the coordinate plane. The games for today require that ...

  16. Role of solvent/non-solvent ratio on microsphere formation using the solvent removal method.

    PubMed

    Godbee, J; Scott, E; Pattamunuch, P; Chen, S; Mathiowitz, E

    2004-03-01

    The importance of good solvent concentration in the non-solvent mixture and the non-solvent viscosity on the ability to form microspheres using solvent removal process was investigated. The higher the viscosity of the polymer solutions, the higher the concentration of good solvent needed in the nonsolvent mixture to produce microspheres. This finding was due to faster precipitation of the polymer phase. Also, the addition of a model drug, fluorescein isothiocyanate conjugated-labelled bovine serum albumin, to the polymer solution (10% poly-L-lactic acid:poly(fumaric-co-sebacic) anhydride in methylene chloride) resulted in an overall lower polymer solution viscosity (15.5 cP with fluorescein isothiocyanate conjugated-labelled bovine serum albumin as compared with 18.25 cP for blank polymer at 25 degrees C). Additionally, the effect of good solvent concentration on non-solvent viscosity was evaluated, and the viscosity decreased as the concentration of good solvent increased. The effect of good solvent concentration on the non-solvent mixture on sphere formation was of great importance. Microspheres would not form when the good polymer solvent (methylene chloride) in the non-solvent phase was too low (below 175 ml for poly-L-lactic acid or 150 ml for poly(D,L-lactidco-glycolid)) or was replaced by another good solvent such as ethyl acetate, even though the same viscosity was achieved. It was shown that the concentration of the good solvent in the non-solvent mixture was more of a controlling factor than the viscosity of the non-solvent mixture in microsphere formation and the findings support the conclusion that diffusion is the main controlling parameter in solvent removal. PMID:15198427

  17. PARIS II: DESIGNING GREENER SOLVENTS

    EPA Science Inventory

    PARIS II (the program for assisting the replacement of industrial solvents, version II), developed at the USEPA, is a unique software tool that can be used for customizing the design of replacement solvents and for the formulation of new solvents. This program helps users avoid ...

  18. Hazardous solvent substitution

    SciTech Connect

    Twitchell, K.E.

    1995-11-01

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

  19. SOLVENT FIRE BY-PRODUCTS

    SciTech Connect

    Walker, D; Samuel Fink, S

    2006-05-22

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

  20. Hyperconjugation-mediated solvent effects in phosphoanhydride bonds

    PubMed Central

    Summerton, Jean C.; Evanseck, Jeffrey D.; Chapman, Michael S.

    2012-01-01

    Density functional theory and Natural Bond Orbital analysis are used to explore the impact of solvent on hyperconjugation in methyl triphosphate, a model for “energy rich” phosphoanhydride bonds, such as found in ATP. As expected, dihedral rotation of a hydroxyl group vicinal to the phosphoanhydride bond reveals that the conformational dependence of the anomeric effect involves modulation of the orbital overlap between the donor and acceptor orbitals. However, a conformational independence was observed in the rotation of a solvent hydrogen bond. As one lone pair orbital rotates away from an optimal anti-periplanar orientation, the overall magnitude of the anomeric effect is compensated approximately by the other lone pair as it becomes more anti-periplanar. Furthermore, solvent modulation of the anomeric effect is not restricted to the anti-periplanar lone pair; hydrogen bonds involving gauche lone pairs also affect the anomeric interaction and the strength of the phosphoanhydride bond. Both gauche and anti solvent hydrogen bonds lengthen non-bridging O—P bonds, increasing the distance between donor and acceptor orbitals, and decreasing orbital overlap which leads to a reduction of the anomeric effect. Solvent effects are additive with greater reduction in the anomeric effect upon increasing water coordination. By controlling the coordination environment of substrates in an active site, kinases, phosphatases and other enzymes important in metabolism and signaling, may have the potential to modulate the stability of individual phosphoanhydride bonds through stereoelectronic effects. PMID:23009395

  1. Computer simulation of bottle brush polymers with flexible backbone: Good solvent versus Theta solvent conditions

    E-print Network

    Panagiotis E. Theodorakis; Hsiao-Ping Hsu; Wolfgang Paul; Kurt Binder

    2011-11-02

    By Molecular Dynamics simulation of a coarse-grained bead-spring type model for a cylindrical molecular brush with a backbone chain of $N_b$ effective monomers to which with grafting density $\\sigma$ side chains with $N$ effective monomers are tethered, several characteristic length scales are studied for variable solvent quality. Side chain lengths are in the range $5 \\le N \\le 40$, backbone chain lengths are in the range $50 \\le N_b \\le 200$, and we perform a comparison to results for the bond fluctuation model on the simple cubic lattice (for which much longer chains are accessible, $N_b \\le 1027$, and which corresponds to an athermal, very good, solvent). We obtain linear dimensions of side chains and the backbone chain and discuss their $N$-dependence in terms of power laws and the associated effective exponents. We show that even at the Theta point the side chains are considerably stretched, their linear dimension depending on the solvent quality only weakly. Effective persistence lengths are extracted both from the orientational correlations and from the backbone end-to-end distance; it is shown that different measures of the persistence length (which would all agree for Gaussian chains) are not mutually consistent with each other, and depend distinctly both on $N_b$ and the solvent quality. A brief discussion of pertinent experiments is given.

  2. Dynamics of Radical Ion Pairs following Photoinduced Electron Transfer in Solvents with Low and Intermediate Polarities.

    PubMed

    Mentel, Kamila K; Nunes, Rui M D; Serpa, Carlos; Arnaut, Luis G

    2015-06-18

    Fluorescence quenching of p-xylene, naphthalene, or pyrene by fumaronitrile in apolar solvents and in solvents of intermediate polarities leads to weakly fluorescent radical ion pairs. This emission is assigned to ion pairs in close contact on the basis of their solvent polarity dependence, kinetics, and thermodynamics. The temperature-dependence of the intensity and fluorescence emission maxima of ion pairs in methyl acetate reveals that they have decay channels competitive with their thermal equilibration. The results presented in this work are consistent with the direct formation of contact ion pairs in weakly polar solvents and in solvents of intermediate polarities as the result of bimolecular photoinduced electron transfer reactions between aromatic hydrocarbons and nitriles. The implications of these findings in free-energy relationships of electron transfer reactions are discussed. PMID:25588979

  3. Coupling of protein dynamics with the solvent

    NASA Astrophysics Data System (ADS)

    Caliskan, Gokhan; Sauzan, Azzam; Mehtani, Disha; Sokolov, Alexei

    2003-03-01

    Glycerol and trehalose are among the many viscous solvents that are widely used for biostabilization and controlling the dynamics of proteins. It is believed that the suppression of the structural relaxations by high viscosity of solvent is responsible for improved stability in proteins. However, results of [1] and [2] demonstrate stronger suppression of biochemical activity and dynamics of proteins by liquid glycerol than by solid trehalose in a wide temperature range. The authors tried to explain the counterintuitive observations by a possible decoupling of the dynamics of the protein from trehalose. In order to test the validity of this assumption and to investigate the influence of the fast dynamics in proteins, the low frequency Raman scattering spectroscopy technique is used. Both relaxational and vibrational dynamics of glycerol, trehalose, and lysozyme in glycerol and in trehalose are studied in a wide temperature range. Dynamics of lysozyme in glycerol follows the strong temperature dependence of relaxational and vibrational dynamics of the bulk glycerol. On the other hand, the weak temperature dependence of dynamics of lysozyme in trehalose follows exactly the behavior of pure trehalose. This proves that there is a strong dynamic coupling between the protein and the solvents used. Interestingly, stronger relaxations in solid trehalose as compared to liquid glycerol are observed in the GHz region at low temperatures. This could be the reason for the enhanced protein activity observed in trehalose, compared to that in glycerol in this temperature range. Suppression of these fast relaxations should be the key for providing long-term stability to proteins. 1. Sastry, G.M. and N. Agmon, Trehalose prevents myoglobin collapse and preserves its internal mobility. BIOCHEMISTRY, 1997, 36(23): p. 7097-108. 2. Caliskan, G., et al., Influence of solvent on dynamics and stability of a protein. Journal of Non-Crystalline Solids, 2002, 307-310: p. 887-893.

  4. Solvent Blending Strategy to Upgrade MCU CSSX Solvent to Equivalent Next-Generation CSSX Solvent

    SciTech Connect

    Delmau, Laetitia Helene [ORNL; Moyer, Bruce A [ORNL

    2012-12-01

    The results of the present study have validated an equal-volume blending strategy for upgrading freshly prepared CSSX solvent to a blended solvent functionally equivalent to NG-CSSX solvent. It is shown that blending fresh CSSX solvent as currently used in MCU with an equal volume of an NG-CSSX solvent concentrate of appropriate composition yields a blended solvent composition (46.5 mM of MaxCalix, 3.5 mM of BOBCalixC6, 0.5 M of Cs-7SB, 3 mM of guanidine suppressor, and 1.5 mM of TOA in Isopar L) that exhibits equivalent batch ESS performance to that of the NG-CSSX solvent containing 50 mM of MaxCalix, 0.5 M of Cs-7SB, and 3 mM of guanidine suppressor in Isopar L. The solvent blend composition is robust to third-phase formation. Results also show that a blend containing up to 60% v/v of CSSX solvent could be accommodated with minimal risk. Extraction and density data for the effect of solvent concentration mimicking diluent evaporation or over-dilution of the equal-volume blended solvent are also given, providing input for setting operational limits. Given that the experiments employed all pristine chemicals, the results do not qualify a blended solvent starting with actual used MCU solvent, which can be expected to have undergone some degree of degradation. Consequently, further work should be considered to evaluate this risk and implement appropriate remediation if needed.

  5. Special Experiment in Solvent Extraction 

    E-print Network

    Unknown

    2011-08-17

    count by 30 to 40 counts per minute (So80; p. 251). Polyethylene vials may distort or swell when used with toluene or similar aromatic solvents, but are suitable for use with dioxane solvents. A complete discussion of sample preparation techniques... sequence of events in which emitted P particles collide with solvent molecules thus causing ionization and/or excitation of the atoms and molecules involved. When the ionized or excited products return to a gmund state of energy (or recombine) energy...

  6. Compatibility of organic solvents with the Microscreen prophage-induction assay: solvent--mutagen interactions.

    PubMed

    DeMarini, D M; Lawrence, B K; Brooks, H G; Houk, V S

    1991-06-01

    The following solvents did not induce prophage lambda in the Escherichia coli WP2s(lambda) Microscreen assay: acetone, benzene, chloroform, ethanol, n-hexane, isopropanol, methanol, toluene, and a mixture of the three isomers of xylene. Dimethyl sulfoxide was genotoxic in the presence and absence of S9, and methylene chloride was weakly genotoxic in the presence of S9. The genotoxic potencies of 2-aminoanthracene and 2-nitrofluorene were reduced when dissolved in DMSO or methanol compared to their potencies when dissolved in acetone. PMID:1828534

  7. Structural and dynamic properties of propane coordinated to TpRh(CNR) from a confrontation

    E-print Network

    Jones, William D.

    decoordination of one pyrazole ring. The full coordination of the alkane can only be achieved when the metal is essentially in a square pyramid coordination with one of the three pyrazole groups only weakly interacting

  8. COMPUTER AIDED SOLVENT DESIGN FOR THE ENVIRONMENT

    EPA Science Inventory

    Solvent substitution is an effective and useful means of eliminating the use of harmful solvents, but finding substitute solvents which are less harmful and as effective as currently used solvents presents significant difficulties. Solvent substitution is a form of reverse engin...

  9. Solvent changeouts without plant shutdown

    SciTech Connect

    Vickery, D.J.; Campbell, S.W. (Taylor, Weiland and Associates, Inc., Potsdam, NY (US))

    1988-01-01

    For reasons of greater selectivity, lower regeneration energy requirements, reduced corrosivity and possible greater amine stability, MDEA continues to replace DEA in numerous selective H/sub 2/S removal applications. Solvent changeouts from DEA to MDEA often require no equipment modification, yet they are generally achieved by shutting down the plant, draining the old solvent, cleaning, and finally recharging with MDEA. However, in at least one plant, solvent changeout was done on the fly simply by periodically making up normal DEA losses with MDEA until the plant was finally operating on MDEA alone. Gradual solvent changeouts have the advantages of no lost production, no disposal problems with the environmentally-hazardous old solvent, no use and subsequent disposal of cleaning agents, and no additional manpower requirements. An advanced flowsheet simulation capability can suggest when such a procedure is feasible and, when it is, plant simulation can help to ensure that the solvent changeout is done reliably and with no production or cost penalties. GASPLANT-PLUS(TM) is currently the only commercial simulator having formulated solvent (mixed amine) capabilities within a fully flexible flowsheeting environment. After highlighting its technical foundations, they will compare GASPLANT-PLUS predictions with some commercial plant data and, through examples, they will show how solvent changeouts can be done gradually, without plant shutdown.

  10. Computer simulation of bottle brush polymers with flexible backbone: Good solvent versus Theta solvent conditions

    E-print Network

    Theodorakis, Panagiotis E; Paul, Wolfgang; Binder, Kurt; 10.1063/1.3656072

    2011-01-01

    By Molecular Dynamics simulation of a coarse-grained bead-spring type model for a cylindrical molecular brush with a backbone chain of $N_b$ effective monomers to which with grafting density $\\sigma$ side chains with $N$ effective monomers are tethered, several characteristic length scales are studied for variable solvent quality. Side chain lengths are in the range $5 \\le N \\le 40$, backbone chain lengths are in the range $50 \\le N_b \\le 200$, and we perform a comparison to results for the bond fluctuation model on the simple cubic lattice (for which much longer chains are accessible, $N_b \\le 1027$, and which corresponds to an athermal, very good, solvent). We obtain linear dimensions of side chains and the backbone chain and discuss their $N$-dependence in terms of power laws and the associated effective exponents. We show that even at the Theta point the side chains are considerably stretched, their linear dimension depending on the solvent quality only weakly. Effective persistence lengths are extracted ...

  11. Conformational transitions of a weak polyampholyte.

    PubMed

    Narayanan Nair, Arun Kumar; Uyaver, Sahin; Sun, Shuyu

    2014-10-01

    Using grand canonical Monte Carlo simulations of a flexible polyelectrolyte where the charges are in contact with a reservoir of constant chemical potential given by the solution pH, we study the behavior of weak polyelectrolytes in poor and good solvent conditions for polymer backbone. We address the titration behavior and conformational properties of a flexible diblock polyampholyte chain formed of two oppositely charged weak polyelectrolyte blocks, each containing equal number of identical monomers. The change of solution pH induces charge asymmetry in a diblock polyampholyte. For diblock polyampholyte chains in poor solvents, we demonstrate that a discontinuous transition between extended (tadpole) and collapsed (globular) conformational states is attainable by varying the solution pH. The double-minima structure in the probability distribution of the free energy provides direct evidence for the first-order like nature of this transition. At the isoelectric point electrostatically driven coil-globule transition of diblock polyampholytes in good solvents is found to consist of different regimes identified with increasing electrostatic interaction strength. At pH values above or below the isoelectric point diblock chains are found to have polyelectrolyte-like behavior due to repulsion between uncompensated charges along the chain. PMID:25296835

  12. EXPERIENCES IN DESIGNING SOLVENTS FOR THE ENVIRONMENT

    EPA Science Inventory

    To meet the great need of replacing many harmful solvents commonly used by industry and the public with environmentally benign substitute solvents, the PARIS II solvent design software has been developed. Although the difficulty of successfully finding replacements increases with...

  13. Weakly sufficient quantum statistics

    E-print Network

    Katarzyna Lubnauer; Andrzej ?uczak; Hanna Pods?dkowska

    2009-11-23

    Some aspects of weak sufficiency of quantum statistics are investigated. In particular, we give necessary and sufficient conditions for the existence of a weakly sufficient statistic for a given family of vector states, investigate the problem of its minimality, and find the relation between weak sufficiency and other notions of sufficiency employed so far.

  14. Weak Value Theory

    SciTech Connect

    Shikano, Yutaka [Department of Physics, Tokyo Institute of Technology, Meguro, Tokyo 152-8551 (Japan) and Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2011-03-28

    I show that the weak value theory is useful from the viewpoints of the experimentally verifiability, consistency, capacity for explanation as to many quantum paradoxes, and practical advantages. As an example, the initial state in the Hardy paradox can be experimentally verified using the weak value via the weak measurement.

  15. SAGE--SOLVENT ALTERNATIVES GUIDE

    EPA Science Inventory

    SAGE is a comprehensive guide designed to provide pollution prevention information on solvent and process alternatives for parts cleaning and degreasing. SAGE does not recommend any ozone depleting chemicals. SAGE was developed by the Surface Cleaning Program at Research Triang...

  16. Reaction coordinates for electron transfer reactions

    SciTech Connect

    Rasaiah, Jayendran C. [Department of Chemistry, University of Maine, Orono, Maine 04469 (United States); Zhu Jianjun [Department of Chemistry, State University of New York, Stonybrook, New York 11790 (United States) and Department of Chemistry, Henan Normal University, Xinxiang, Henan (China)

    2008-12-07

    The polarization fluctuation and energy gap formulations of the reaction coordinate for outer sphere electron transfer are linearly related to the constant energy constraint Lagrangian multiplier m in Marcus' theory of electron transfer. The quadratic dependence of the free energies of the reactant and product intermediates on m and m+1, respectively, leads to similar dependence of the free energies on the reaction coordinates and to the same dependence of the activation energy on the reorganization energy and the standard reaction free energy. Within the approximations of a continuum model of the solvent and linear response of the longitudinal polarization to the electric field in Marcus' theory, both formulations of the reaction coordinate are expected to lead to the same results.

  17. Limitations of Radar Coordinates

    E-print Network

    Donato Bini; Luca Lusanna; Bahram Mashhoon

    2004-12-17

    The construction of a radar coordinate system about the world line of an observer is discussed. Radar coordinates for a hyperbolic observer as well as a uniformly rotating observer are described in detail. The utility of the notion of radar distance and the admissibility of radar coordinates are investigated. Our results provide a critical assessment of the physical significance of radar coordinates.

  18. Allosteric Supramolecular Coordination Constructs.

    PubMed

    Lifschitz, Alejo M; Rosen, Mari S; McGuirk, C Michael; Mirkin, Chad A

    2015-06-17

    Coordination chemistry is regularly used to generate supramolecular constructs with unique environments around embedded components to affect their intrinsic properties. In certain cases, it can also be used to effect changes in supramolecular structure reminiscent of those that occur within stimuli-responsive biological structures, such as allosteric enzymes. Indeed, among a handful of general strategies for synthesizing such supramolecular systems, the weak-link approach (WLA) uniquely allows one to toggle the frameworks' structural state post-assembly via simple reactions involving hemilabile ligands and transition metal centers. This synthetic strategy, when combined with dynamic ligand sorting processes, represents one of the few sets of general reactions in inorganic chemistry that allow one to synthesize spatially defined, stimuli-responsive, and multi-component frameworks in high to quantitative yields and with remarkable functional group tolerance. The WLA has thus yielded a variety of functional systems that operate similarly to allosteric enzymes, toggling activity via changes in the frameworks' steric confinement or electronic state upon the recognition of small molecule inputs. In this Perspective we present the first full description of the fundamental inorganic reactions that provide the foundation for synthesizing WLA complexes. In addition, we discuss the application of regulatory strategies in biology to the design of allosteric supramolecular constructs for the regulation of various catalytic properties, electron-transfer processes, and molecular receptors, as well as for the development of sensing and signal amplification systems. PMID:26035450

  19. Computational comparison of oxidation stability: Solvent/salt monomers vs solvent-solvent/salt pairs

    NASA Astrophysics Data System (ADS)

    Kim, Dong Young; Park, Min Sik; Lim, Younhee; Kang, Yoon-Sok; Park, Jin-Hwan; Doo, Seok-Gwang

    2015-08-01

    A fundamental understanding of the anodic stabilities of electrolytes is important for the development of advanced high-voltage electrolytes. In this study, we calculated and systematically compared the oxidation stabilities of monomeric solvents and anions, and bimolecular solvent-solvent and anion-solvent systems that are considered to be high-voltage electrolyte components, using ab initio calculations. Oxidation stabilities of solvent or anion monomers without considering specific solvation molecules cannot represent experimental oxidation stabilities. The oxidation of electrolytes usually forms neutral or cationic radicals, which immediately undergo further reactions stabilizing the products. Oxidatively driven intermolecular reactions are the main reason for the lower oxidation stabilities of electrolytes compared with those of monomeric compounds. Electrolyte components such as tetramethylene sulfone (TMS), ethyl methyl sulfone (EMS), bis(oxalate)borate (BOB-), and bis(trifluoromethane)sulfonamide (TFSI-) that minimize such intermolecular chemical reactions on oxidation can maintain the oxidation stabilities of monomers. In predictions of the theoretical oxidation stabilities of electrolytes, simple comparisons of highest occupied molecular orbital energies can be misleading, even if microsolvation or bulk clusters are considered. Instead, bimolecular solvent complexes with a salt anion should be at least considered in oxidation calculations. This study provides important information on fundamental and applied aspects of the development of electrolytes.

  20. DOE solvent handbook information sheet

    SciTech Connect

    Chavez, A.A.

    1992-05-01

    Solvents and cleaners are used in the Department of Defense (DOD) and the Department of Energy-Defense Program (DOE-DP) maintenance facilities for removing wax, grease, oil, carbon, machining fluids, solder fluxes, mold releases, and other contaminants before repairing or electroplating parts. Private industry also uses cleaners and degreasers for surface preparation of various metals. Growing environmental and worker safety concerns have brought attention to these solvents and cleaners, most of which are classified as toxic. Tightening government regulations have already excluded the use of some chemicals, and restrict the use of various halogenated hydrocarbons because of their atmospheric-ozone depleting effects, as well as their cancer-related risks. As a result, a program was established to develop an efficient, easily accessible, electronic solvent utilization handbook. This is being accomplished by: (1) identifying solvents (alternatives) that are not currently restricted by government regulations for use DOE-DP facilities, and private industry, (2) evaluating their cleaning performance, (3) evaluating their corrosivity, (4) evaluating their air emissions, (5) evaluating the possibility of recycling or recovering all or portions of the alternative degreasers, (6) testing substitute solvents compatibility with non-metallic materials, (7) inputting all of the data gathered (including previous biodegradability information) into a database, and (8) developing a methodology for efficient, widespread access to the data base information system.

  1. DOE solvent handbook information sheet

    SciTech Connect

    Chavez, A.A.

    1992-01-01

    Solvents and cleaners are used in the Department of Defense (DOD) and the Department of Energy-Defense Program (DOE-DP) maintenance facilities for removing wax, grease, oil, carbon, machining fluids, solder fluxes, mold releases, and other contaminants before repairing or electroplating parts. Private industry also uses cleaners and degreasers for surface preparation of various metals. Growing environmental and worker safety concerns have brought attention to these solvents and cleaners, most of which are classified as toxic. Tightening government regulations have already excluded the use of some chemicals, and restrict the use of various halogenated hydrocarbons because of their atmospheric-ozone depleting effects, as well as their cancer-related risks. As a result, a program was established to develop an efficient, easily accessible, electronic solvent utilization handbook. This is being accomplished by: (1) identifying solvents (alternatives) that are not currently restricted by government regulations for use DOE-DP facilities, and private industry, (2) evaluating their cleaning performance, (3) evaluating their corrosivity, (4) evaluating their air emissions, (5) evaluating the possibility of recycling or recovering all or portions of the alternative degreasers, (6) testing substitute solvents compatibility with non-metallic materials, (7) inputting all of the data gathered (including previous biodegradability information) into a database, and (8) developing a methodology for efficient, widespread access to the data base information system.

  2. New insight of coordination and extraction of uranium(VI) with N-donating ligands in room temperature ionic liquids: N,N'-diethyl-N,N'-ditolyldipicolinamide as a case study.

    PubMed

    Yuan, Li-Yong; Sun, Man; Mei, Lei; Wang, Lin; Zheng, Li-Rong; Gao, Zeng-Qiang; Zhang, Jing; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun

    2015-02-16

    Room temperature ionic liquids (RTILs) represent a recent new class of solvents applied in liquid/liquid extraction based nuclear fuel reprocessing, whereas the related coordination chemistry and detailed extraction processes are still not well understood and remain of deep fundamental interest. The work herein provides a new insight of coordination and extraction of uranium(VI) with N-donating ligands, e.g., N,N'-diethyl-N,N'-ditolyldipicolinamide (EtpTDPA), in commonly used RTILs. Exploration of the extraction mechanism, speciation analyses of the extracted U(VI), and crystallographic studies of the interactions of EtpTDPA with U(VI) were performed, including the first structurally characterized UO2(EtpTDPA)2(NTf2) and UO2(EtpTDPA)2(PF6)2 compounds and a first case of crystallographic differentiation between the extracted U(VI) complexes in RTILs and in molecular solvents. It was found that in RTILs two EtpTDPA molecules coordinate with one U(VI) ion through the carbonyl and pyridine nitrogen moieties, while NTf2(-) and PF6(-) act as counterions. The absence of NO3(-) in the complexes is coincident with a cation-exchange extraction. In contrast, both the extracted species and extraction mechanisms are greatly different in dichloromethane, in which UO2(2+) coordinates in a neutral complex form with one EtpTDPA molecule and two NO3(-) cations. In addition, the complex formation in RTILs is independent of the cation exchange since incorporating UO2(NO3)2, EtpTDPA, and LiNTf2 or KPF6 in a solution also produces the same complex as that in RTILs, revealing the important roles of weakly coordinating anions on the coordination chemistry between U(VI) and EtpTDPA. These findings suggest that cation-exchange extraction mode for ILs-based extraction system probably originates from the supply of weakly coordinating anions from RTILs. Thus the coordination of uranium(VI) with extractants as well as the cation-exchange extraction mode may be potentially changed by varying the counterions of uranyl or introducing extra anions. PMID:25629464

  3. Recovery of actinides extracted by Truex solvent from high level waste using complexing agents

    Microsoft Academic Search

    R. R. Chitnis; P. K. Wattal; A. Ramanujam; P. S. Dhami; V. gopalakrishnan; A. K. Bauri; A. Banerji

    1999-01-01

    These studies are an extension of carlier work on the recovery of actinides extracted by Truex solvent from simulated high\\u000a level waste solution, with a mixture of weak acid, weak base and complexing agent used as a strippant. The effectiveness of\\u000a the proposed strippant, consisting of formic acid, hydrazine hydrate and citric acid, is tested in a counter-current mode\\u000a using

  4. BIORTHOGONAL SYSTEMS WEAKLY LINDELOF SPACES

    E-print Network

    Montesinos Santalucía, Vicente

    in its weak topology is a Lindel¨of space) if and only if BX in its weak star topology is a Corson¨of space, in its relativized weak topology from X. A Banach space X is weakly compactly generated (in short compact if K is homeomorphic to a weakly compact set (endowed with its weak topology) in a Banach space

  5. Solvents and Parkinson disease: A systematic review of toxicological and epidemiological evidence

    SciTech Connect

    Lock, Edward A., E-mail: e.lock@ljmu.ac.uk [Liverpool John Moores University, School of Pharmacy and Biomolecular Sciences, Byrom Street, Liverpool (United Kingdom); Zhang, Jing [University of Washington, Department of Pathology, School of Medicine, Seattle, WA (United States)] [University of Washington, Department of Pathology, School of Medicine, Seattle, WA (United States); Checkoway, Harvey [University of Washington, Department of Environmental and Occupational Health Sciences, Seattle, WA (United States)] [University of Washington, Department of Environmental and Occupational Health Sciences, Seattle, WA (United States)

    2013-02-01

    Parkinson disease (PD) is a debilitating neurodegenerative motor disorder, with its motor symptoms largely attributable to loss of dopaminergic neurons in the substantia nigra. The causes of PD remain poorly understood, although environmental toxicants may play etiologic roles. Solvents are widespread neurotoxicants present in the workplace and ambient environment. Case reports of parkinsonism, including PD, have been associated with exposures to various solvents, most notably trichloroethylene (TCE). Animal toxicology studies have been conducted on various organic solvents, with some, including TCE, demonstrating potential for inducing nigral system damage. However, a confirmed animal model of solvent-induced PD has not been developed. Numerous epidemiologic studies have investigated potential links between solvents and PD, yielding mostly null or weak associations. An exception is a recent study of twins indicating possible etiologic relations with TCE and other chlorinated solvents, although findings were based on small numbers, and dose–response gradients were not observed. At present, there is no consistent evidence from either the toxicological or epidemiologic perspective that any specific solvent or class of solvents is a cause of PD. Future toxicological research that addresses mechanisms of nigral damage from TCE and its metabolites, with exposure routes and doses relevant to human exposures, is recommended. Improvements in epidemiologic research, especially with regard to quantitative characterization of long-term exposures to specific solvents, are needed to advance scientific knowledge on this topic. -- Highlights: ? The potential for organic solvents to cause Parkinson's disease has been reviewed. ? Twins study suggests etiologic relations with chlorinated solvents and Parkinson's. ? Animal studies with TCE showed potential to cause damage to dopaminergic neurons. ? Need to determine if effects in animals are relevant to human exposure levels.

  6. Solvent Influences on the Molecular Aggregation of Magnesium Aryloxides

    SciTech Connect

    ZECHMANN,CECILIA A.; BOYLE,TIMOTHY J.; RODRIGUEZ,MARK A.; KEMP,RICHARD A.

    2000-07-14

    Magnesium aryloxides were prepared in a variety of solvents through the reaction of dibutyl magnesium with sterically varied aryl alcohols: 2,6-dimethylphenol (H-DMP), 2,6-diisopropylphenol (H-DIP), and 2,4,6-trichlorophenol (H-TCP). Upon using a sufficiently strong Lewis-basic solvent, the monomeric species Mg(DMP){sub 2}(py){sub 3} (1, py = pyridine), Mg(DIP){sub 2}(THF){sub 3}, (2a, THF = tetrahydrofuran) Mg(TCP){sub 2}(THF){sub 3} (3) were isolated. Each of these complexes possesses a five-coordinate magnesium that adopts a trigonal bipyramidal geometry. In the absence of a Lewis base, the reaction with H-DIP yields a soluble trinuclear complex, [Mg(DIP){sub 2}]{sub 3} (2b). The Mg metal centers in 2b adopt a linear arrangement with a four-coordinate central metal while the outer metal centers are reduced to just three-coordinate. Solution spectroscopic methods suggest that while 2b remains intact, the monomeric species (1, 2a, and 3) are involved in equilibria, which facilitate intermolecular ligand transfer.

  7. MICROBIOLOGY: Breathing with Chlorinated Solvents

    NSDL National Science Digital Library

    Perry L. McCarty (Stanford University; Department of Civil Engineering)

    1997-06-06

    Access to the article is free, however registration and sign-in are required: Chlorinated solvents, the carcinogenic agents that permeate the air in your dry cleaners, have accumulated in the groundwater because microorganisms in the soil do not break them down. Now Maymó-Gatell et al. have isolated the first bacterium that can metabolize trichloroethylene and perchloroethylene to the harmless compound ethene. Identification of the bacterium will potentially allow manipulation of the conditions underground to facilitate the natural destruction of chlorinated solvents.

  8. Solvent reorganization of electron transitions in viscous solvents

    SciTech Connect

    Ghorai, Pradip K.; Matyushov, Dmitry V. [Department of Chemistry, Arizona State University, Tempe, Arizona 85287-1604 (United States) and Center for the Early Events in Photosynthesis, Arizona State University, Tempe, Arizona 85287-1604 (United States)

    2006-04-14

    We develop a model of electron transfer reactions at conditions of nonergodicity when the time of solvent relaxation crosses the observation time window set up by the reaction rate. Solvent reorganization energy of intramolecular electron transfer in a charge-transfer molecule dissolved in water and acetonitrile is studied by molecular dynamics simulations at varying temperatures. We observe a sharp decrease of the reorganization energy at a temperature identified as the temperature of structural arrest due to cage effect, as discussed by the mode-coupling theory. This temperature also marks the onset of the enhancement of translational diffusion relative to rotational relaxation signaling the breakdown of the Stokes-Einstein relation. The change in the reorganization energy at the transition temperature reflects the dynamical arrest of the slow, collective relaxation of the solvent related to the relaxation of the solvent dipolar polarization. An analytical theory proposed to describe this effect agrees well with both the simulations and experimental Stokes shift data. The theory is applied to the analysis of charge-transfer kinetics in a low-temperature glass former. We show that the reorganization energy is substantially lower than its equilibrium value for the low-temperature portion of the data. The theory predicts the possibility of discontinuous changes in the dependence of the electron transfer rate on the free energy gap when the reaction switches between ergodic and nonergodic regimes.

  9. The Community Education Coordinator

    ERIC Educational Resources Information Center

    Nance, Everette E.

    1972-01-01

    Covers the selection process and hiring of the community education coordinator; describes the requisite personality, qualifications, role, and training of the coordinator; and outlines the organization and structure of the community education program. (Author/EA)

  10. Simple Coordinates Game

    NSDL National Science Digital Library

    2010-01-01

    In this activity, students enter in coordinates then the applet places a house at that location, or the location is decided first then the student must enter in the coordinates of the house. This activity allows students to practice with coordinates and ordered pairs in the Cartesian coordinate system. This activity includes supplemental materials, including background information about the topics covered, a description of how to use the application, and exploration questions for use with the java applet.

  11. Regional Transportation Coordination Study 

    E-print Network

    Golden Crescent Regional Planning Commission

    2006-01-01

    Golden Crescent Regional Transit i Regional Transportation Coordination Study: 7-County Golden Crescent Region Regional Transportation Coordination Study Executive Summary Chapter 1... ......................................................................................... 4-4 Golden Crescent Regional Transit ii Regional Transportation Coordination Study: 7-County Golden Crescent Region Chapter 5 - Identified Pilot Project Opportunities Background...

  12. LCLS Undulator Coordinate System

    SciTech Connect

    Bong, E.

    2005-01-31

    This note defines the LCLS undulator coordinate system and relates that coordinate system to the linear accelerator coordinate system. The slight downward pitch of the SLAC linac and the finite radius of the Earth necessitate some choices and definitions for the undulator layout which is described here. The layout described is consistent with the LCLS optics MAD file ''LCLS13APR04''.

  13. Replacement solvents for use in chemical synthesis

    DOEpatents

    Molnar, Linda K. (Philadelphia, PA); Hatton, T. Alan (Sudbury, MA); Buchwald, Stephen L. (Newton, MA)

    2001-05-15

    Replacement solvents for use in chemical synthesis include polymer-immobilized solvents having a flexible polymer backbone and a plurality of pendant groups attached onto the polymer backbone, the pendant groups comprising a flexible linking unit bound to the polymer backbone and to a terminal solvating moiety. The polymer-immobilized solvent may be dissolved in a benign medium. Replacement solvents for chemical reactions for which tetrahydrofuran or diethyl may be a solvent include substituted tetrahydrofurfuryl ethers and substituted tetrahydro-3-furan ethers. The replacement solvents may be readily recovered from the reaction train using conventional methods.

  14. Large-scale solvent driven actuation of polyelectrolyte multilayers based on modulation of dynamic secondary interactions.

    PubMed

    Gu, Yuanqing; Huang, Xiayun; Wiener, Clinton G; Vogt, Bryan D; Zacharia, Nicole S

    2015-01-28

    Polyelectrolyte multilayers (PEMs), assembled from weak polyelectrolytes, have often been proposed for use as smart or responsive materials. However, such response to chemical stimuli has been limited to aqueous environments with variations in ionic strength or pH. In this work, a large in magnitude and reversible transition in both the swelling/shrinking and the viscoelastic behavior of branched polyethylenimine/poly(acrylic acid) multilayers was realized in response to exposure with various polar organic solvents (e.g., ethanol, dimethyl sulfoxide, and tetrahydrofuran). The swelling of the PEM decreases with an addition of organic content in the organic solvent/water mixture, and the film contracts without dissolution in pure organic solvent. This large response is due to both the change in dielectric constant of the medium surrounding the film as well as an increase in hydrophobic interactions within the film. The deswelling and shrinking behavior in organic solvent significantly enhances its elasticity, resulting in a stepwise transition from an initially liquid-like film swollen in pure water to a rigid solid in pure organic solvents. This unique and recoverable transition in the swelling/shrinking behaviors and the rheological performances of weak polyelectrolyte multilayer film in organic solvents is much larger than changes due to ionic strength or pH, and it enables large scale actuation of a freestanding PEM. The current study opens a critical pathway toward the development of smart artificial materials. PMID:25539141

  15. SOLVENT EXTRACTION OF RARE EARTHS

    Microsoft Academic Search

    I. N. Plaksin; K. F. Barysheva; A. V. Astafeva

    1962-01-01

    Descriptions are given of rare earth separation by acid leaching and ; solvent extraction with TBP. Hydrometallurgical treatment of enriched rare earth ; products enables 85 to 95% extraction into nitric acid with 50% HNOâ ; Ieaching at 80 to 904DEC. Multistaged and counter-current extraction with TBP ; separates Ca and Fe from rare earth products, extracting up to 94

  16. NATURAL ATTENUATION OF CHLORINATED SOLVENTS

    EPA Science Inventory

    The protocol will simply describe in detail, with references and illustrations, the approach currently used by staff of the SPRD to evaluate natural attenuation of chlorinated solvents in ground water. Staff of SPRD, and staff of the Air Force Center for environmental excellence...

  17. Occupational exposure to organic solvents and breast cancer in women

    PubMed Central

    Peplonska, Beata; Stewart, Patricia; Szeszenia-D?browska, Neonila; Lissowska, Jolanta; Brinton, Louise A.; Gromiec, Jan Piotr; Brzeznicki, Slawomir; Yang, Rose; Sherman, Mark; García-Closas, Montserrat; Blair, Aaron

    2009-01-01

    Background Although studies in rodents suggest possible associations between exposure to organic solvents and breast cancer, the evidence in humans is limited. Methods We evaluated job histories of 2383 incident breast cancer cases diagnosed during 2000–2003, and 2502 controls who participated in a large population-based case-control study in Poland. Industrial hygienists reviewed occupational histories and developed exposure metrics for total organic solvents and benzene. Unconditional logistic regression analyses estimated odds ratios (ORs) and 95% confidence intervals (CIs) as the measure of association with breast cancer, controlling for breast cancer risk factors. Stratified analyses examined the potential modification by known breast cancer risk factors. Associations were also evaluated by estrogen (ER) and progesterone receptor (PR) status and by other clinical characteristics of the tumours using polytomous regression analyses. Results Women who ever worked at jobs with organic solvents exposure had a small, non-significant increase in breast cancer risk (OR=1.16; 95%CI 0.99 to 1.4). A significant association was present for ER and PR negative tumors (OR 1.40; 95% CI 1.1 to 1.8), but there was no association with tumors with both positive receptors (OR 0.97; 95% CI 0.8 to 1.2 (p-heterogeneity: 0.008)). We did not observe trends with increasing level of exposure. Known breast cancer risk factors did not modify the association with organic solvents and breast cancer risk. No association with breast cancer was found for benzene exposure (OR 1.00; 95% CI 0.8 to 1.3). Conclusion Our study provides weak evidence for a possible association between occupational exposure to organic solvents as a class and breast cancer risk. The association might be limited to hormone receptor negative tumors. PMID:19819862

  18. Dipolar correlations in structured solvents under nanoconfinement.

    PubMed

    Buyukdagli, Sahin; Blossey, Ralf

    2014-06-21

    We study electrostatic correlations in structured solvents confined to nanoscale systems. We derive variational equations of Netz-Orland type for a model liquid composed of finite size dipoles. These equations are solved for both dilute solvents and solvents at physiological concentrations in a slit nanopore geometry. Correlation effects are of major importance for the dielectric reduction and anisotropy of the solvent resulting from dipole image interactions and also lead to a reduction of van der Waals attractions between low dielectric bodies. Finally, by comparison with other recently developed self-consistent theories and experiments, we scrutinize the effect of solvent-membrane interactions on the differential capacitance of the charged liquid in contact with low dielectric substrates. The interfacial solvent depletion driven by solvent-image interactions plays the major role in the observed low values of the experimental capacitance data, while non-locality associated with the extended charge structure of solvent molecules only brings a minor contribution. PMID:24952564

  19. Hydrocarbon solvents in high solids coatings

    SciTech Connect

    Albaugh, E.W.; Chiozza, R.F.; Pecoraro, J.M.

    1987-11-01

    In 1976, the Environmental Protection Agency (EPA) adopted a new approach to regulating emissions from coatings - to limit emissions regardless of chemical type. As a result, aromatic hydrocarbon solvents again can be incorporated into coatings when they provide performance and cost benefits. In this paper, alkyd and polyester high solids coatings formulated with a combination of aromatic hydrocarbon and oxygenated solvents are compared to the same coatings formulated only with oxygenated solvents. The properties investigated were solubility, volatile organic compound (VOC) content, viscosity, rheology, sprayability, and final film properties. To supplement the laboratory tests, a high solids alkyd baking enamel containing aromatic hydrocarbon solvent was evaluated in two commercial plant trials. It performed well. In summary, substituting hydrocarbon solvent for some of the oxygenated solvent reduced the viscosity and volatile organic compound content of the high solids coatings without compromising performance. The substitution also substantially reduces cost: Aromatic solvents cost about $2.00 per gallon less than the oxygenated solvents they replace.

  20. A two-dimensional silver(I) coordination polymer constructed from 4-aminophenylarsonate and triphenylphosphane: poly[[(??-4-aminophenylarsonato-?³N:O:O)(triphenylphosphane-?P)silver(I)] monohydrate].

    PubMed

    Xiao, Zu-Ping; Wen, Meng; Wang, Chun-Ya; Huang, Xi-He

    2015-04-01

    The title compound, {[Ag(C6H7AsNO3)(C18H15P)]·H2O}n, has been synthesized from the reaction of 4-aminophenylarsonic acid with silver nitrate, in aqueous ammonia, with the addition of triphenylphosphane (PPh3). The Ag(I) centre is four-coordinated by one amino N atom, one PPh3 P atom and two arsonate O atoms, forming a severely distorted [AgNPO2] tetrahedron. Two Ag(I)-centred tetrahedra are held together to produce a dinuclear [Ag2O2N2P2] unit by sharing an O-O edge. 4-Aminophenylarsonate (Hapa(-)) adopts a ?3-?(3)N:O:O-tridentate coordination mode connecting two dinuclear units, resulting in a neutral [Ag(Hapa)(PPh3)]n layer lying parallel to the (101?) plane. The PPh3 ligands are suspended on both sides of the [Ag(Hapa)(PPh3)]n layer, displaying up and down orientations. There is an R2(2)(8) hydrogen-bonded dimer involving two arsonate groups from two Hapa(-) ligands related by a centre of inversion. Additionally, there are hydrogen-bonding interactions involving the solvent water molecules and the arsonate and amine groups of the Hapa(-) ligands, and weak ?-? stacking interactions within the [Ag(Hapa)(PPh3)]n layer. These two-dimensional layers are further assembled by weak van der Waals interactions to form the final architecture. PMID:25836281

  1. Modified enzymes for reactions in organic solvents

    Microsoft Academic Search

    A. B. Salleh; M. Basri; M. Taib; H. Jasmani; R. N. Z. A. Rahman; M. B. A. Rahman; C. N. A. Razak

    2002-01-01

    Recent studies on biocatalysis in water—organic solvent biphasic systems have shown that many enzymes retain their catalytic\\u000a activities in the presence of high concentrations of organic solvents. However, not all enzymes are organic solvent tolerant,\\u000a and most have limited and selective tolerance to particular organic solvents. Protein modification or protein tailoring is\\u000a an approach to alter the characteristics of enzymes,

  2. Solvent extraction process for tar sands

    Microsoft Academic Search

    E. W. Funk; W. G. May; J. C. Pirkle

    1982-01-01

    A solvent extraction process for tar sands is disclosed wherein a low boiling solvent having a normal boiling point of from 20* to 70* C. Is used to extract tar sands. The solvent is mixed with tar sands in a dissolution zone, the solvent:bitumen weight ratio being maintained at from about 0.5:1 to 2:1. This mixture is passed to a

  3. Remediating pesticide contaminated soils using solvent extraction

    Microsoft Academic Search

    Endalkachew Sahle-Demessie; Mark C. Meckes; Teri L. Richardson

    1996-01-01

    Bench-scale solvent extraction studies were performed on soil samples obtained from a Superfund site contaminated with high levels of p,pâ²-DDT, p,pâ²-DDE and toxaphene. The effectiveness of the solvent extraction process was assessed using methanol and 2-propanol as solvents over a wide range of operating conditions. It was demonstrated that a six-stage methanol extraction using a solvent-to-soil ratio of 1.6 can

  4. Solvent pretreatment of feed coal for briquetting

    SciTech Connect

    Martin, D.M.; Miller, M.R.

    1980-11-25

    Solvent pretreating of coal fines prior to briquetting results in coal briquettes which have no added binder and which will withstand weathering conditions better than binder containing briquettes. The solvents are generally described as organic Lewis base solvents which are capable of electron donor action, and include among others, acetone, methyl ethyl ketone, and ethylene diamine.

  5. Solvent pretreatment of feed coal for briquetting

    Microsoft Academic Search

    D. M. Martin; M. R. Miller

    1980-01-01

    Solvent pretreating of coal fines prior to briquetting results in coal briquettes which have no added binder and which will withstand weathering conditions better than binder containing briquettes. The solvents are generally described as organic Lewis base solvents which are capable of electron donor action, and include among others, acetone, methyl ethyl ketone, and ethylene diamine.

  6. Solvent cleaning system and method for removing contaminants from solvent used in resin recycling

    DOEpatents

    Bohnert, George W. (Harrisonville, MO); Hand, Thomas E. (Lee's Summit, MO); DeLaurentiis, Gary M. (Jamestown, CA)

    2009-01-06

    A two step solvent and carbon dioxide based system that produces essentially contaminant-free synthetic resin material and which further includes a solvent cleaning system for periodically removing the contaminants from the solvent so that the solvent can be reused and the contaminants can be collected and safely discarded in an environmentally safe manner.

  7. Tax Coordination and Unemployment

    Microsoft Academic Search

    Clemens Fuest; Bernd Huber

    1999-01-01

    This paper analyses the implications of unemployment for fiscal competition and tax coordination among small open economies.\\u000a Unemployment is modeled as resulting from wage bargaining. The analysis focuses on the effect of labour and capital tax coordination\\u000a on welfare. We show that, while coordinated capital and labour tax increases unambiguously raise welfare if labour markets\\u000a are competitive, different results emerge

  8. Batch extracting process using magneticparticle held solvents

    DOEpatents

    Nunez, Luis (Elmhurst, IL); Vandergrift, George F. (Bolingbrook, IL)

    1995-01-01

    A process for selectively removing metal values which may include catalytic values from a mixture containing same, wherein a magnetic particle is contacted with a liquid solvent which selectively dissolves the metal values to absorb the liquid solvent onto the magnetic particle. Thereafter the solvent-containing magnetic particles are contacted with a mixture containing the heavy metal values to transfer metal values into the solvent carried by the magnetic particles, and then magnetically separating the magnetic particles. Ion exchange resins may be used for selective solvents.

  9. SOLVENT DISPERSION AND FLOW METER CALCULATION RESULTS

    SciTech Connect

    Nash, C.; Fondeur, F.; Peters, T.

    2013-06-21

    Savannah River National Laboratory (SRNL) found that the dispersion numbers for the six combinations of CSSX:Next Generation Solvent (NGS) “blend” and pure NGS versus salt solution, caustic wash, and strip aqueous solutions are all good. The dispersion numbers are indications of processability with centrifugal contactors. A comparison of solvent physical and thermal properties shows that the Intek™ solvent flow meter in the plant has a reading biased high versus calibrated flow when NGS is used, versus the standard CSSX solvent. The flow meter, calibrated for CSSX solvent, is predicted to read 2.8 gpm of NGS in a case where the true flow of NGS is 2.16 gpm.

  10. Foaming properties of solvents for use in air-assisted solvent extraction

    Microsoft Academic Search

    H. M. Tarkan; J. A. Finch

    2005-01-01

    The air-assisted solvent extraction (AASX) concept uses a solvent-coated bubble to contact the organic and aqueous phases. Compared to conventional solvent extraction, a high contact area can be created using less solvent and the buoyancy provided by the air core promotes phase separation. Solvent-coated bubbles are produced by forming a foam. The foam is injected through a capillary and a

  11. Co(III) protoporphyrin IX chloride in solution: spin-state and metal coordination revealed from resonant inelastic X-ray scattering and electronic structure calculations.

    PubMed

    Atak, Kaan; Golnak, Ronny; Xiao, Jie; Pflüger, Mika; Brandenburg, Tim; Winter, Bernd; Aziz, Emad F

    2015-02-01

    The local electronic structure of the cobalt centre-ion of Co(III) protoporphyrin IX chloride dissolved in dimethyl sulfoxide (DMSO) liquid solution is studied by resonant inelastic X-ray scattering (RIXS) spectroscopy at the cobalt L-edge. The resulting cobalt 2p partial-fluorescence-yield (PFY) X-ray absorption (XA) spectrum, integrated from RIXS spectra, is simulated for various possible spin-states and coordination of the cobalt centre by using the newly developed density functional theory/restricted open shell single excitation configuration interaction (DFT/ROCIS) method. Comparison between experiment and calculation shows that the cobalt ion (3d(6) electronic configuration) adopts a low-spin state with all six 3d electrons paired, and the cobalt centre is either 5-coordinated by its natural ligands (one chloride ion and four nitrogen atoms), or 6-coordinated, when binding to an oxygen atom of a DMSO solvent molecule. Analysis of the measured RIXS spectra reveals weak 3d-3d electron correlation, and in addition a value of the local HOMO-LUMO gap at the Co sites is obtained. PMID:25529387

  12. Versatile Structure-directing Roles of Deep Eutectic Solvents and Their Implication in Generation of Porosity and Open Metal Sites for Gas Storage**

    PubMed Central

    Zhang, Jian; Wu, Tao; Chen, Shumei; Feng, Pingyun; Bu, Xianhui

    2009-01-01

    Trap it in and burn it out: the deep eutectic solvent provides a versatile route for the creation of highly stable porous frameworks encapsulating neutral coordinating ligand molecule, which can escape intact from the pore upon heating to directly become crystals, leaving behind permanent porosity and coordinatively unsaturated metal sites with potential applications in gas storage and catalysis. PMID:19343752

  13. 40 CFR Table 6 to Subpart Kkkk of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  14. 40 CFR Table 3 to Subpart IIIi of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  15. 40 CFR Table 3 to Subpart Pppp of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  16. 40 CFR Table 3 to Subpart Mmmm of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  17. 40 CFR Table 3 to Subpart Nnnn of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  18. 40 CFR Table 5 to Subpart Qqqq of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  19. 40 CFR Table 6 to Subpart Kkkk of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  20. 40 CFR Table 3 to Subpart IIIi of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  1. 40 CFR Table 3 to Subpart Pppp of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  2. 40 CFR Table 3 to Subpart Nnnn of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  3. 40 CFR Table 3 to Subpart Rrrr of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  4. 40 CFR Table 5 to Subpart Qqqq of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  5. 40 CFR Table 3 to Subpart Rrrr of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  6. 40 CFR Table 3 to Subpart Mmmm of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) ...Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends...

  7. Sensitized photoxygenation of piroxicam in neat solvents and solvent mixtures.

    PubMed

    Lemp, E; Zanocco, A L; Günther, G

    2001-12-31

    Detection of O(2)(1Delta(g)) phosphorescence emission, lambda(max)=1270 nm, following laser excitation and steady state methods were employed to determine the total rate constant, k(T), for the reaction between the non-steroidal anti-inflammatory drug piroxicam (PRX) and singlet oxygen in several solvents. Values of k(T) ranged from 0.048+/-0.003 x 10(6) M(-1) s(-1) in chloroform to 71.2+/-2.2 x 10(6) M(-1) s(-1) in N,N-dimethylformamide. The chemical reaction rate constant, k(R), was determined by using thermal decomposition of 1,4-dimethylnaphthalene endoperoxide as the singlet oxygen source. In acetonitrile, the k(R) value is equal to 5.0+/-0.4 x 10(6) M(-1) s(-1), very close to the k(T) value. This result indicates that, in this solvent, the chemical reaction corresponds to the main reaction path. Dependence of total rate constant on the solvent parameters pi* and beta can be explained in terms of a reaction mechanism that involves the formation of a perepoxide intermediate. Rearrangement of the perepoxide to dioxetane followed by ring cleavage and transacylation accounts for the formation of N-methylsaccharine and N-(2-pyridyl)oxamic acid, the main reaction products. Data obtained in dioxane-water (pH 4) mixtures with neutral enolic and zwitterionic tautomers of piroxicam in equilibrium show that the zwitterionic tautomer reacts with singlet oxygen faster than the enolic tautomer. PMID:11809375

  8. Infrared weak quasars

    NASA Technical Reports Server (NTRS)

    Mcdowell, J. C.; Elvis, M.; Wilkes, B. J.

    1992-01-01

    Examples of quasars with anomalously weak IR emission are presented, and the effects of starlight subtraction on estimates of the UV and IR component strengths are discussed. Inferred model parameters are very sensitive to the position of the peak of the UV energy distribution. In many low redshift objects the peak is not seen; even in those objects where the turnover is clear, the turnover may not be intrinsic but instead due to reddening within the quasar host galaxy. The small number of unusual quasars with weak IR emission will be of utility as a probe of the quasar phenomenon in the absence of dominant dust reprocessing.

  9. Weak bump quasars

    NASA Technical Reports Server (NTRS)

    Mcdowell, Jonathan C.; Elvis, Martin; Wilkes, Belinda J.; Willner, Steven P.; Oey, M. S.

    1989-01-01

    The recent emphasis on big bumps dominating the UV continuum of quasars has obscured the facts that bump properties vary widely and that there are objects in which no such component is evident. As part of a survey of quasar continuum spectra, a class of quasars is identified in which the optical-UV continuum big bump feature appears to be weak or absent, relative to both IR and X-ray. These weak bump quasars are otherwise normal objects and constitute a few percent of the quasar population.

  10. Heliospheric coordinate systems

    Microsoft Academic Search

    M. Fränz; D. Harper

    2002-01-01

    This article gives an overview and reference to the most common coordinate systems currently used in space science. While coordinate systems used in near-Earth space physics have been described in previous work we extend that description to systems used for physical observations of the Sun and the planets and to systems based on spacecraft location. For all systems, we define

  11. Interstate Solar Coordination Council

    Microsoft Academic Search

    D. L. Block; R. D

    1981-01-01

    The Interstate Solar Coordination Council (ISCC) was established and held its first meeting January 31, 1980, for the purpose of developing a national forum for discussion and actions on common issues among solar energy-related state agencies. ISCC's general objectives are to establish a mechanism for voluntary exchange of information, coordination of solar standards and certification programs, and development of understanding

  12. Transition Coordinators: Define Yourselves.

    ERIC Educational Resources Information Center

    Asselin, Susan B.; Todd-Allen, Mary; deFur, Sharon

    1998-01-01

    Describes a technique that was used successfully to identify the changing roles and responsibilities of special educators as transition coordinators. The Developing a Curriculum (DACUM) model uses people who are currently working in the occupation to define job responsibilities. The duties of a transition coordinator are identified. (CR)

  13. Neuropathy - Coordination Exam - Lower Extremities Sub-exam - Patient 7

    NSDL National Science Digital Library

    Pearson, John C.

    This video demonstrates a coordination exam of the lower extremities. This 61-year-old man has had slowly progressive gait disturbance and weakness of his legs for 14 years. He has developed a limp in both legs, and his feet trip on objects and on uneven floor surfaces resulting in falls. Weakness and numbness of the legs is limiting his ability to walk. Viewing the video requires installation of the free QuickTime Plug-in.

  14. Lanthanide-organic complexes based on polyoxometalates: Solvent effect on the luminescence properties

    SciTech Connect

    Tang Qun [Key Laboratory of Polyoxometalate Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun, Jilin 130024 (China); Liu Shuxia, E-mail: liusx@nenu.edu.cn [Key Laboratory of Polyoxometalate Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun, Jilin 130024 (China); Liang Dadong; Ma Fengji; Ren Guojian; Wei Feng; Yang Yuan; Li Congcong [Key Laboratory of Polyoxometalate Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun, Jilin 130024 (China)

    2012-06-15

    A series of lanthanide-organic complexes based on polyoxometalates (POMs) [Ln{sub 2}(DNBA){sub 4}(DMF){sub 8}][W{sub 6}O{sub 19}] (Ln=La(1), Ce(2), Sm(3), Eu(4), Gd(5); DNBA=3,5-dinitrobenzoate; DMF=N,N-dimethylformamide) has been synthesized. These complexes consist of [W{sub 6}O{sub 19}]{sup 2-} and dimeric [Ln{sub 2}(DNBA){sub 4}(DMF){sub 8}]{sup 2+} cations. The luminescence properties of 4 are measured in solid state and different solutions, respectively. Notably, the emission intensity increases gradually with the increase of solvent permittivity, and this solvent effect can be directly observed by electrospray mass spectrometry (ESI-MS). The analyses of ESI-MS show that the eight coordinated solvent DMF units of dimeric cation are active. They can move away from dimeric cations and exchange with solvent molecules. Although the POM anions escape from 3D supramolecular network, the dimeric state structure of [Ln{sub 2}(DNBA){sub 4}]{sup 2+} remains unchanged in solution. The conservation of red luminescence is attributed to the maintenance of the aggregated state structures of dimeric cations. - Graphical abstract: 3D POMs-based lanthanide-organic complexes performed the solvent effect on the luminescence property. The origin of such solvent effect can be understood and explained on the basis of the existence of coordinated active sites by the studies of ESI-MS. Highlights: Black-Right-Pointing-Pointer The solvent effect on the luminescence property of POMs-based lanthanide-organic complexes. Black-Right-Pointing-Pointer ESI-MS analyses illuminate the correlation between the structure and luminescence property. Black-Right-Pointing-Pointer The dimeric cations have eight active sites of solvent coordination. Black-Right-Pointing-Pointer The aggregated state structure of dimer cation remains unchanged in solution. Black-Right-Pointing-Pointer Luminescence associating with ESI-MS is a new method for investigating the interaction of complex and solvent.

  15. Rational solvent selection for cooling crystallizations

    SciTech Connect

    Nass, K.K. (Eastman Kodak Co., Rochester, NY (United States). Chemicals Development Div.)

    1994-06-01

    The development of a successful crystallization process for purification and isolation of an organic compound requires the selection of a suitable solvent or solvent mixture; to date, no logical method has been established for determining the best solvent combination. The process chemist or engineer often employs a trial-and-error procedure to identify an appropriate solvent system, the success of which is dependent on experience and intuition. This paper describes a strategy for choosing crystallization solvents based upon equilibrium limits. The approach utilizes a group-contribution method (UNIFAC) to predict a value for the activity coefficient of the solute in a given solvent system at the saturation point. This value is then used to calculate the solubility of the solute at a high'' temperature and a low'' temperature. The resulting solubility values determine the maximum theoretical yield for the process. Both quantities are used to rank order solvents and/or their mixtures relative to one another according to their solvent power and potential process yield. Several examples illustrating the successful application of this method are described, and potential improvements to the algorithm are discussed. Implementation of this strategy will reduce product cycle time, minimize solvent usage, and allow identification of cheaper solvent alternatives.

  16. Weak decays at PEP

    SciTech Connect

    Yelton, J.M.

    1984-04-01

    Results are presented on four aspects of weak decays. The MARK II measurement of the tau lifetime, the MARK II measurement of the D/sup 0/ lifetime, the measurement from several experiments of the semi-leptonic branching fractions of hadrons constraining b and c quarks, and lastly the MAC measurement of the B lifetime. 30 references.

  17. Solvent effects on infrared spectra of 2-acetylthiophene in organic solvents

    NASA Astrophysics Data System (ADS)

    Liu, Qing; Xu, Xiaomin; Sang, Wenqiang

    2003-02-01

    Infrared spectroscopy studies of 2-acetylthiophene (ACTH) in 18 different organic solvents, both polar and non-polar, were undertaken to investigate the solvent-solute interactions. The frequencies of carbonyl stretching vibration ?(C?O) of ACTH were correlated with the properties such as the solvent acceptor number (AN) and the linear solvation energy relationships (LSER). The solvent-induced stretching vibration frequency shifts showed a better correlation with the LSER than the AN. A six-membered ring-like hydrogen bonding structure was presented and the solvent effects of ACTH in alcohol solvents were investigated in detail.

  18. Solvent dependent photophysical properties of dimethoxy curcumin

    NASA Astrophysics Data System (ADS)

    Barik, Atanu; Indira Priyadarsini, K.

    2013-03-01

    Dimethoxy curcumin (DMC) is a methylated derivative of curcumin. In order to know the effect of ring substitution on photophysical properties of curcumin, steady state absorption and fluorescence spectra of DMC were recorded in organic solvents with different polarity and compared with those of curcumin. The absorption and fluorescence spectra of DMC, like curcumin, are strongly dependent on solvent polarity and the maxima of DMC showed red shift with increase in solvent polarity function (?f), but the above effect is prominently observed in case of fluorescence maxima. From the dependence of Stokes' shift on solvent polarity function the difference between the excited state and ground state dipole moment was estimated as 4.9 D. Fluorescence quantum yield (?f) and fluorescence lifetime (?f) of DMC were also measured in different solvents at room temperature. The results indicated that with increasing solvent polarity, ?f increased linearly, which has been accounted for the decrease in non-radiative rate by intersystem crossing (ISC) processes.

  19. Neurotoxicity of solvent mixtures in spray painters

    Microsoft Academic Search

    G. Triebig; A. Barocka; F. Erbguth; R. Höll; C. Lang; S. Lehrl; T. Rechlin; W. Weidenhammme; D. Weltle

    1992-01-01

    Summary A multidisciplinary cross-sectional study was performed to examine the chronic neurotoxicity of organic solvents. Participating in the study were 105 persons employed as spray painters and having long-term solvent exposure (10–44 years) and a control group consisting of 58 construction workers, electricians, and plumbers without occupational contact to solvents. Samples were matched for age, preexposure intelligence level, occupation, and

  20. Conserve Energy: Modernize Your Solvent Deasphalting Unit

    E-print Network

    Lambert, J. S.; Gleitsmann, J. W.

    1983-01-01

    in raising the temperature of DAO/solvent m~x to its critical temperature is quite high, a part of this heat can be recovered by exchange to preheat DAO/solvent mix from the extractor. Ecor;OMIcs Each added stage of evaporation requires an additional...CONSERVE ENERGY: MODERNIZE YOUR SOLVENT DEASPHALTING UNIT Joseph W. Gleitsmann* John S. Lambert Foster Wheeler Energy Corporation Livingston, New Jersey ABSTRACT Deasphalting units provide high quality feedstocks for lube oil manufacture...

  1. Femtosecond dynamics in hydrogen-bonded solvents

    SciTech Connect

    Castner, E.W. Jr.; Chang, Y.J.

    1993-09-01

    We present results on the ultrafast dynamics of pure hydrogen-bonding solvents, obtained using femtosecond Fourier-transform optical-heterodyne-detected, Raman-induced Kerr effect spectroscopy. Solvent systems we have studied include the formamides, water, ethylene glycol, and acetic acid. Inertial and diffusive motions are clearly resolved. We comment on the effect that such ultrafast solvent motions have on chemical reactions in solution.

  2. Mechanism of paint removing by organic solvents

    NASA Astrophysics Data System (ADS)

    Del Nero, V.; Siat, C.; Marti, M. J.; Aubry, J. M.; Lallier, J. P.; Dupuy, N.; Huvenne, J. P.

    1996-01-01

    The mechanism of paint removing has been studied by comparing the stripping efficiency of a given solvent with its ability to swell the film. The most effective solvents have a Hildebrand's parameter, ?H, ranging from 10.5 to 12 and a Dimroth parameter, ET(30), ranging from 0.25 to 0.4. The synergy observed with the mixtures DMSO/non polar solvent is explained by a dissociation of the DMSO clusters into individual molecules which diffuse more easily.

  3. A scaled characteristics method for the asymptotic solution of weakly nonlinear wave equations

    Microsoft Academic Search

    Chirakkal V. Easwaran

    1998-01-01

    We formulate a multi-scale perturbation technique to asymptotically solve weakly nonlinear hyperbolic equations. The method is based on a set of scaled characteristic coordinates. We show that this technique leads to a simplied system of ordinary dierential equations describing the weakly nonlinear interaction between left and right running waves. Using this method, a uniformly valid rst order solution of a

  4. MCU MATERIALS COMPATIBILITY WITH CSSX SOLVENT

    SciTech Connect

    Fondeur, F

    2006-01-13

    The Modular Caustic-Side Solvent Extraction (CSSX) Unit (MCU) plans to use several new materials of construction not previously used with CSSX solvent. SRNL researchers tested seven materials proposed for service in seal and gasket applications. None of the materials leached detectable amounts of components into the CSSX solvent during 96 hour tests. All are judged acceptable for use based on their effect on the solvent. However, some of the materials adsorbed solvent or changed dimensions during contact with solvent. Consultation with component and material vendors with regard to performance impact and in-use testing of the materials is recommended. Polyetheretherketone (PEEK), a material selected for use in contactor bearing seals, did not gain weight or change dimensions on contact with CSSX solvent. Analysis of the solvent contacted with this material showed no impurities and the standard dispersion test gave acceptable phase separation results. The material contains a leachable hydrocarbon substance, detectable on exposed surfaces, that did not adversely contaminate the solvent within the limits of the testing. We recommend contacting the vendor to determine the source and purpose of this component, or, alternatively, pursue the infrared analysis of the PEEK in an effort to better define potential impacts.

  5. Weak Gravitational Lensing

    NASA Astrophysics Data System (ADS)

    Pires, Sandrine; Starck, Jean-Luc; Leonard, Adrienne; Réfrégier, Alexandre

    2012-03-01

    This chapter reviews the data mining methods recently developed to solve standard data problems in weak gravitational lensing. We detail the different steps of the weak lensing data analysis along with the different techniques dedicated to these applications. An overview of the different techniques currently used will be given along with future prospects. Until about 30 years ago, astronomers thought that the Universe was composed almost entirely of ordinary matter: protons, neutrons, electrons, and atoms. The field of weak lensing has been motivated by the observations made in the last decades showing that visible matter represents only about 4-5% of the Universe (see Figure 14.1). Currently, the majority of the Universe is thought to be dark, that is, does not emit electromagnetic radiation. The Universe is thought to be mostly composed of an invisible, pressure less matter - potentially relic from higher energy theories - called "dark matter" (20-21%) and by an even more mysterious term, described in Einstein equations as a vacuum energy density, called "dark energy" (70%). This "dark" Universe is not well described or even understood; its presence is inferred indirectly from its gravitational effects, both on the motions of astronomical objects and on light propagation. So this point could be the next breakthrough in cosmology. Today's cosmology is based on a cosmological model that contains various parameters that need to be determined precisely, such as the matter density parameter Omega_m or the dark energy density parameter Omega_lambda. Weak gravitational lensing is believed to be the most promising tool to understand the nature of dark matter and to constrain the cosmological parameters used to describe the Universe because it provides a method to directly map the distribution of dark matter (see [1,6,60,63,70]). From this dark matter distribution, the nature of dark matter can be better understood and better constraints can be placed on dark energy, which affects the evolution of structures. Gravitational lensing is the process by which light from distant galaxies is bent by the gravity of intervening mass in the Universe as it travels toward us. This bending causes the images of background galaxies to appear slightly distorted, and can be used to extract important cosmological information. In the beginning of the twentieth century, A. Einstein predicted that massive bodies could be seen as gravitational lenses that bend the path of light rays by creating a local curvature in space time. One of the first confirmations of Einstein's new theory was the observation during the 1919 solar eclipse of the deflection of light from distant stars by the sun. Since then, a wide range of lensing phenomena have been detected. The gravitational deflection of light by mass concentrations along light paths produces magnification, multiplication, and distortion of images. These lensing effects are illustrated by Figure 14.2, which shows one of the strongest lenses observed: Abell 2218, a very massive and distant cluster of galaxies in the constellation Draco. The observed gravitational arcs are actually the magnified and strongly distorted images of galaxies that are about 10 times more distant than the cluster itself. These strong gravitational lensing effects are very impressive but they are very rare. Far more prevalent are weak gravitational lensing effects, which we consider in this chapter, and in which the induced distortion in galaxy images is much weaker. These gravitational lensing effects are now widely used, but the amplitude of the weak lensing signal is so weak that its detection relies on the accuracy of the techniques used to analyze the data. Future weak lensing surveys are already planned in order to cover a large fraction of the sky with high accuracy, such as Euclid [68]. However, improving accuracy also places greater demands on the methods used to extract the available information.

  6. Weak Polarized Electron Scattering

    NASA Astrophysics Data System (ADS)

    Erler, Jens; Horowitz, Charles J.; Mantry, Sonny; Souder, Paul A.

    2014-10-01

    Scattering polarized electrons provides an important probe of the weak interactions. Precisely measuring the parity-violating left–right cross-section asymmetry (ALR) is the goal of a number of experiments that have recently been completed or are in progress. The experiments are challenging, given that ALR is small, typically between 10?4 and 10?8. By carefully choosing appropriate targets and kinematics, one can isolate various pieces of the weak Lagrangian, providing a search for physics beyond the Standard Model. For other choices, unique features of the strong interaction are being studied, including the radius of the neutron density in heavy nuclei, charge symmetry violation, and higher-twist terms. This article reviews the theory behind the experiments, as well as the general techniques used in the experimental program.

  7. Wide electrochemical window solvents for use in electrochemical devices and electrolyte solutions incorporating such solvents

    DOEpatents

    Angell, Charles Austen (Mesa, AZ); Zhang, Sheng-Shui (Tucson, AZ); Xu, Kang (Tempe, AZ)

    1998-01-01

    The present invention relates to electrolyte solvents for use in liquid or rubbery electrolyte solutions. Specifically, this invention is directed to boron-containing electrolyte solvents and boron-containing electrolyte solutions.

  8. Quantitation of buried contamination by use of solvents. [degradation of silicone polymers by amine solvents

    NASA Technical Reports Server (NTRS)

    Pappas, S. P.; Hsiao, Y. C.; Hill, L. W.

    1973-01-01

    Spore recovery form cured silicone potting compounds using amine solvents to degrade the cured polymers was investigated. A complete list of solvents and a description of the effect of each on two different silicone polymers is provided.

  9. EXAFS study into the speciation of metal salts dissolved in ionic liquids and deep eutectic solvents.

    PubMed

    Hartley, Jennifer M; Ip, Chung-Man; Forrest, Gregory C H; Singh, Kuldip; Gurman, Stephen J; Ryder, Karl S; Abbott, Andrew P; Frisch, Gero

    2014-06-16

    The speciation of metals in solution controls their reactivity, and this is extremely pertinent in the area of metal salts dissolved in ionic liquids. In the current study, the speciation of 25 metal salts is investigated in four deep eutectic solvents (DESs) and five imidazolium-based ionic liquids using extended X-ray absorption fine structure. It is shown that in diol-based DESs M(I) ions form [MCl2](-) and [MCl3](2-) complexes, while all M(II) ions form [MCl4](2-) complexes, with the exception of Ni(II), which exhibits a very unusual coordination by glycol molecules. This was also found in the X-ray crystal structure of the compound [Ni(phen)2(eg)]Cl2·2eg (eg = ethylene glycol). In a urea-based DES, either pure chloro or chloro-oxo coordination is observed. In [C6mim][Cl] pure chloro complexation is also observed, but coordination numbers are smaller (typically 3), which can be explained by the long alkyl chain of the cation. In [C2mim][SCN] metal ions are entirely coordinated by thiocyanate, either through the N or the S atom, depending on the hardness of the metal ion according to the hard-soft acid-base principle. With weaker coordinating anions, mixed coordination between solvent and solute anions is observed. The effect of hydrate or added water on speciation is insignificant for the diol-based DESs and small in other liquids with intermediate or strong ligands. One of the main findings of this study is that, with respect to metal speciation, there is no fundamental difference between deep eutectic solvents and classic ionic liquids. PMID:24897923

  10. HR COMMUNICATIONS Program Coordinator

    E-print Network

    Ronquist, Fredrik

    HR COMMUNICATIONS Program Coordinator 51518 9254 04 VACANT University Business Administrator II TECHNOLOGY/ HR DATA MANAGEMENT/ COMMUNICATIONS RECORDS BENEFITS TIME & LABOR EMPLOYEE DATA MANAGEMENT EMPLOYMENT FACILITIES SATELLITE OFFICE EMPLOYEE & LABOR RELATIONS Director, Admin Svcs 55607 9250A 07 VACANT

  11. Communication Gestion et coordination

    E-print Network

    Spino, Claude

    Communication Gestion et coordination de patrouilles environnementales Développement de stratégies et d'outils de communication en développement durable Communication des politiques, programmes et professionnels et responsables, capables d'intégrer les aspects sociaux et économiques dans leur processus de

  12. Muscular Dystrophy Coordinating Committee

    MedlinePLUS

    Muscular Dystrophy Coordinating Committee (MDCC) WE ARE NO LONGER ACCEPTING COMMENTS AND EDITS THROUGH THIS SITE. THIS COPY ... on the Draft 2015 Action Plan for the Muscular Dystrophies Draft 2015 Action Plan (PDF, 1.06MB) Request ...

  13. Mining Weak Lensing Surveys

    E-print Network

    N. Padmanabhan; U. Seljak; U. L. Pen

    2002-10-21

    We present a survey of the cosmological applications of the next generation of weak lensing surveys, paying special attention to the computational challenges presented by the number of galaxies, $N_{gal} ~$ 10$^{5}$. We focus on optimal methods with no pixelization and derive a multigrid $P^3M$ algorithm that performs the relevant computations in $O(N_{gal} \\log N_{gal})$ time. We test the algorithm by studying three applications of weak lensing surveys - convergence map reconstruction, cluster detection and $E$ and $B$ power spectrum estimation using realistic 1 deg^{2} simulations derived from N-body simulations. The map reconstruction is able to reconstruct large scale features without artifacts. Detecting clusters using only weak lensing is difficult because of line of sight contamination and noise, with low completeness if one desires low contamination of the sample. A power spectrum analysis of the convergence field is more promising and we are able to reconstruct the convergence spectrum with no loss of information down to the smallest scales. The numerical methods used here can be applied to other data sets with same $O(N\\log N)$ scaling and can be generalised to a sphere.

  14. Prussian blue nanospheres synthesized in deep eutectic solvents

    NASA Astrophysics Data System (ADS)

    Sheng, Qinglin; Liu, Ruixiao; Zheng, Jianbin

    2012-10-01

    A novel route for controlled synthesis of Prussian blue nanospheres (PB NSs) with different sizes by using deep eutectic solvents (DES) as both solvent and template provider was demonstrated. The size-controlled PB NSs were obtained directly by the coordination of Fe(CN)64- ion with Fe3+ ion in the DES. The probable mechanism of formation of PB NSs was discussed based on the characterization results of UV-visible, X-ray diffraction, X-ray photoelectronic spectrum and transfer electron microscopy. Furthermore, the electrochemical and electrocatalytic properties of the synthesized PB NSs were investigated, and it has demonstrated that the PB NSs exhibited excellent catalytic activity for H2O2 reduction, and then extended this strategy to glucose sensing, by detecting H2O2 formed from the enzymatic reaction of glucose oxidase with its substrate glucose. The linear calibration range for glucose was from 0.9 ?M to 0.12 mM, with a correlation coefficient of 0.998. The limit of detection was 0.3 ?M and the sensitivity was 61.7 A cm-2 M-1. The present study provides a general platform for the controlled synthesis of novel nanomaterials in DES and can be extended to other optical, electronic and magnetic nanocompounds.A novel route for controlled synthesis of Prussian blue nanospheres (PB NSs) with different sizes by using deep eutectic solvents (DES) as both solvent and template provider was demonstrated. The size-controlled PB NSs were obtained directly by the coordination of Fe(CN)64- ion with Fe3+ ion in the DES. The probable mechanism of formation of PB NSs was discussed based on the characterization results of UV-visible, X-ray diffraction, X-ray photoelectronic spectrum and transfer electron microscopy. Furthermore, the electrochemical and electrocatalytic properties of the synthesized PB NSs were investigated, and it has demonstrated that the PB NSs exhibited excellent catalytic activity for H2O2 reduction, and then extended this strategy to glucose sensing, by detecting H2O2 formed from the enzymatic reaction of glucose oxidase with its substrate glucose. The linear calibration range for glucose was from 0.9 ?M to 0.12 mM, with a correlation coefficient of 0.998. The limit of detection was 0.3 ?M and the sensitivity was 61.7 A cm-2 M-1. The present study provides a general platform for the controlled synthesis of novel nanomaterials in DES and can be extended to other optical, electronic and magnetic nanocompounds. Electronic supplementary information (ESI) available. See DOI: 10.1039/c2nr31830j

  15. Dynamics of Interpersonal Coordination

    Microsoft Academic Search

    Richard C. Schmidt; Michael J. Richardson

    Everyday human actions often occur in a social context. Past psychological research has found that the motor behavior of socially\\u000a situated individuals tends to be coordinated. Our research performed over the last 20 years has sought to understand how the\\u000a mutuality, accommodation, and synchrony found in everyday interactional coordination can be understood using a dynamical theory\\u000a of behavioral order, namely

  16. Regional Transportation Coordination Study

    E-print Network

    Golden Crescent Regional Planning Commission

    ? Regional Assessment and Needs Chapter 3 ? Peer Review Chapter 4 ? Barriers and Constraints Chapter 5 ? Pilot Projects Chapter 6 ? RTA and Funding Options Golden Crescent Regional Transit 1-10 Regional Transportation Coordination Study... ? Regional Assessment and Needs Chapter 3 ? Peer Review Chapter 4 ? Barriers and Constraints Chapter 5 ? Pilot Projects Chapter 6 ? RTA and Funding Options Golden Crescent Regional Transit 1-10 Regional Transportation Coordination Study...

  17. The influence of solvent type on solvent-pesticide interactions in bioassays

    Microsoft Academic Search

    Glenn W. Stratton

    1985-01-01

    The effect of solvent type on solvent-pesticide interactions was examined by interacting the fungicide captan with the solvents acetone, ethanol, methanol, hexane, dimethyl sulfoxide (DMSO), andN,N-dimethylformamide (DMF), using growth of the fungiPythium ultimum, Sclerotinia homeocarpa, andPestalotia sp. as a toxicity criterion. DMF, ethanol, and methanol were generally the most toxic solvents tested, yielding EC50 values from 0.51 to 2.29% (v\\/v).

  18. Challenging conventional f-element separation chemistry--reversing uranyl(VI)/lanthanide(III) solvent extraction selectivity.

    PubMed

    Hawkins, C A; Bustillos, C G; Copping, R; Scott, B L; May, I; Nilsson, M

    2014-08-14

    The water soluble tetradentate Schiff base, N,N'-bis(5-sulfonatosalicylidene)-diaminoethane (H2salen-SO3), will readily coordinate to the uranyl(VI) cation, but not to the same extent to trivalent lanthanide cations. This allows for the reversal of conventional solvent extraction properties and opens the possibility for novel separation processes. PMID:24958394

  19. One-nucleon-induced nonmesonic hypernuclear decay in laboratory coordinates

    SciTech Connect

    Galeao, A. P. [Instituto de Fisica Teorica, UNESP, 01140-070 Sao Paulo, SP (Brazil); Barbero, C. [Facultad de Ciencias Exactas, UNLP, 1900 La Plata (Argentina) and Instituto de Fisica La Plata, CONICET, 1900 La Plata (Argentina); De Conti, C. [Campus Experimental de Itapeva, UNESP, 18409-010 Itapeva, SP (Brazil); Krmpotic, F. [Facultad de Ciencias Astronomicas y Geofisicas, UNLP, 1900 La Plata (Argentina) and Instituto de Fisica La Plata, CONICET, 1900 La Plata (Argentina)

    2013-05-06

    We present a formalism for the computation of one-nucleon-induced nonmesonic weak hypernuclear decay rates in laboratory coordinates, within an independent-particle shell model framework, with a view to its generalization to the case of two-nucleon-induced transitions.

  20. Desorption of chlorine organic solvents

    SciTech Connect

    Petrova, N.I.; Nikolaev, K.M.

    1982-03-01

    Adsorption methods are being used more and more widely to treat gaseous discharges containing chlorohydrocarbons. However, recovery of the chlorohydrocarbons has not been studied sufficiently, and the desorption of the solvents with steam is particularly understudied. We investigated desorption of a number of solvents from industrial active carbon AR-3. Desorption was done with live steam in the 105 to 150/sup 0/C. It can be seen from the data that with an increase of the molecular weight of the chlorohydrocarbon, the process of desorption slows down. This is clearly due to the fact that with an increase of the number of chlorine atoms in the molecule there is an increase of dispersion interaction (size of parachors) and latent heat of vaporization, which cause a decrease of the degree of desorption. The rate of desorption increases with an increase in temperature, but most of the investigated chlorine derivatives detach a chlorine ion at elevated temperature in the presence of water and carbon, with formation of HCl, which causes severe equipment corrosion. In addition, phosgene (in the decomposition of C/sub 2/HCl/sub 3/), chlorine organic acids and certain other toxic compounds may be produced. Thus, to reduce the rate of hydrolysis in the desorption of chlorohydrocarbons, especially polychlorinated ones, one should use steam with minimum possible temperature (no more than 110/sup 0/C) with a desorption time of no more than 30 minutes for poorly adsorbable compounds and no more than 45 to 60 minutes for readily absorbable ones. Here the degree of desorption of poorly absorbed compounds is about 100% while that of the readily absorbed ones is from 50 to 75%. The results were used in the design of units for recovery of methylene chloride, dichloroethane and trichloroethylene.

  1. Free-energy and structural analysis of ion solvation and contact ion-pair formation of Li(+) with BF4(-) and PF6(-) in water and carbonate solvents.

    PubMed

    Takeuchi, Munetaka; Matubayasi, Nobuyuki; Kameda, Yasuo; Minofar, Babak; Ishiguro, Shin-ichi; Umebayashi, Yasuhiro

    2012-06-01

    Free energy of contact ion-pair (CIP) formation of lithium ion with BF(4)(-) and PF(6)(-) in water, propylene carbonate (PC), dimethyl carbonate (DMC) are quantitatively analyzed using MD simulations combined with the energy representation method. The relative stabilities of the mono-, bi-, and tridentate coordination structures are assessed with and without solvent, and water, PC, and DMC are found to favor the CIP-solvent contact. The monodentate structure is typically most stable in these solvents, whereas the configuration is multidentate in vacuum. The free energy of CIP formation is not simply governed by the solvent dielectric constant, and microscopic analyses of solute-solvent interaction at a molecular level are then performed from energetic and structural viewpoints. Vacant sites of Li(+) cation in CIP are solvated with three carbonyl oxygen atoms of PC and DMC solvent molecules, and the solvation is stronger for the monodentate CIP than for the multidentate. Energetically favorable solute-solvent configurations are shown to be spatially more restricted for the multidentate CIP, leading to the observation that the solvent favors the monodentate coordination structure. PMID:22616851

  2. Weak measurements of light chirality with a plasmonic slit.

    PubMed

    Gorodetski, Y; Bliokh, K Y; Stein, B; Genet, C; Shitrit, N; Kleiner, V; Hasman, E; Ebbesen, T W

    2012-07-01

    We examine, both experimentally and theoretically, an interaction of tightly focused polarized light with a slit on a metal surface supporting plasmon-polariton modes. Remarkably, this simple system can be highly sensitive to the polarization of the incident light and offers a perfect quantum weak measurement tool with a built-in postselection in the plasmon-polariton mode. We observe the plasmonic spin Hall effect in both coordinate and momentum spaces which is interpreted as weak measurements of the helicity of light with real and imaginary weak values determined by the input polarization. Our experiment combines the advantages of (i) quantum weak measurements, (ii) near-field plasmonic systems, and (iii) high-numerical aperture microscopy in employing the spin-orbit interaction of light and probing light chirality. PMID:23031106

  3. Solute-Solvent Interactions and High Spin ? Low Spin Transitions in Ferric Dithiocarbamates

    NASA Astrophysics Data System (ADS)

    Ganguli, P.

    1985-01-01

    The HS ? LS transition in ferric dithiocarbamates in a number of solvents has been investigated using NMR and is interpreted in terms of preferential solvation or second co-ordination sphere reorganisation effects. These studies clearly demonstrate that neglect of pseudo contact shifts can lead to erroneous conclusions about the spin delocalisation mechanisms. The spin derealization in these systems is by direct ?-delocalization along the alkyl chain. The As values of 2T2 and 6A1 states have the same sign.

  4. Investigation of aggregation in solvent extraction of lanthanides by acidic extractants (organophosphorus and naphthenic acid)

    Microsoft Academic Search

    Naifu Zhou; Jinguang Wu; Zhijian Yu; R. D. Neuman; Dujin Wang; Guangxian Xu

    1997-01-01

    Three acidic extractants (I) di(2-ethylhexyl) phosphoric acid (HDEHP), (II) 2-ethylhexyl phosphonic acid mono-2-ethylhexyl\\u000a ester (HEHPEHE) and (III) naphthenic acid were employed in preparing the samples for the characterization of the coordination\\u000a structure of lanthanide-extractant complexes and the physicochemica nature of aggregates formed in the organic diluent of\\u000a the solvent extraction systems. Photo correlation spectroscopy (PCS) results on the aggregates formed

  5. Solvent-induced lone pair activity tuning and vapoluminescence in a Pt2Pb cluster.

    PubMed

    Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R

    2013-06-01

    We report a novel cluster, [{Pt(C6F5)(bzq)}2Pb(Spy)2] 1, that displays reversible vapoluminescence to specific organic vapours; this behaviour can be related to the stereochemical activity of the lone pair around the Pb(II) in the ground state and to the distinct distortion of the coordination environment (1 and 1-solvent) upon photoexcitation. PMID:23624681

  6. Gallium complexes and solvent extraction of gallium

    SciTech Connect

    Coleman, J.P.; Graham, C.R.; Monzyk, B.F.

    1988-05-03

    This patent describes a process for recovering gallium from aqueous solutions containing gallium which comprises contacting such a solution with an organic solvent containing at least 2% by weight of a water-insoluble N-organo hydroxamic acid having at least about 8 carbon atoms to extract gallium, and separating the gallium loaded organic solvent phase from the aqueous phase.

  7. ENHANCED PROCESSING OF GREEN SOLVENTS - PHASE I

    EPA Science Inventory

    Solvents are a valuable processing tool in the chemical and related industries. Solvents are used to enhance mass transfer, heat transfer and in most cases are a processing aid and eventually are not used in the final product but to enhance the fabrication of the final pr...

  8. Are deep eutectic solvents benign or toxic?

    Microsoft Academic Search

    M. Hayyan; M. A. Hashim; A. Hayyan; M. A. Al-Saadi; I. M. AlNashef; M. E. S. Mirghani; O. K. Saheed

    2013-01-01

    In continuation of investigation for environmentally benign protocol for new solvents termed deep eutectic solvents (DESs), it is herein reported results concerning the toxicity and cytotoxicity of choline chloride (ChCl) based DESs with four hydrogen bond donors including glycerine, ethylene glycol, triethylene glycol and urea. The toxicity was investigated using two Gram positive bacteria Bacillus subtilis and Staphylococcus aureus, and

  9. REMEDIATING PESTICIDE CONTAMINATED SOILS USING SOLVENT EXTRACTION

    EPA Science Inventory

    Bench-scale solvent extraction studies were performed on soil samples obtained from a Superfund site contaminated with high levels of p,p'-DDT, p,p'-DDD,, p,p'-DDE and toxaphene. The effectiveness of the solvent extraction process was assessed using methanol and 2-propanol as sol...

  10. SOLVENT RECOVERY AT VANDENBERG AIR FORCE BASE

    EPA Science Inventory

    The report gives results of a feasibility study of the addition of vapor recovery and solvent purification equipment for Vandenberg Air Force Base (VAFB) to reuse the large quantities of waste solvent generated in space shuttle preparation operations. (NOTE: Operation of VAFB as ...

  11. Absorbance Changes of Carotenoids in Different Solvents

    Microsoft Academic Search

    Lun-Yi Zang; Olaf Sommerburg; Frederik J. G. M van Kuijk

    1997-01-01

    Carotenoids are typically measured in tissues with the high performance liquid chromatography (HPLC) and quantitation is usually done by calibrating with stock solutions in solvents. Four carotenoids including lutein, zeaxanthin, lycopene and ?-carotene were dissolved in hexane and methanol respectively, and their absorbance characteristeris were compared. Lutein shows absorbance spectra that are almost independent of solvents at various concentrations. Spectra

  12. A spreadsheet algorithm for stagewise solvent extraction

    SciTech Connect

    Leonard, R.A.; Regalbuto, M.C.

    1993-01-01

    Part of the novelty is the way in which the problem is organized in the spreadsheet. In addition, to facilitate spreadsheet setup, a new calculational procedure has been developed. The resulting Spreadsheet Algorithm for Stagewise Solvent Extraction (SASSE) can be used with either IBM or Macintosh personal computers as a simple yet powerful tool for analyzing solvent extraction flowsheets.

  13. Coal mining with a liquid solvent

    NASA Technical Reports Server (NTRS)

    Lawson, D. D.; Miller, C. G.

    1979-01-01

    Study suggests carbonated water can dissolve or suspend coal and carry it to surface. Mixture of carbon dioxide and water may be coal solvent that will make unmanned mining reality. When used with proposed process monitoring coal solubility with conventional strain gage, solvent is basis for rapid cost effective extraction of coal from underground seams.

  14. SOLVENT DESIGN UNDER VARYING ENVIRONMENTAL REQUIREMENTS

    EPA Science Inventory

    There is currently a great need to replace many solvents that are commonly used by industry and the public, but whose continued use entails a number of human health and environmental risks. One issue hampering solvent replacement is the general thought that replacement, particul...

  15. Coal processing: the Exxon donor solvent process

    Microsoft Academic Search

    L. E. Furlong; E. Effron; L. W. Vernon; E. L. Wilson

    1976-01-01

    The development of the Exxon coal liquefaction process over 10 years is described. Exxon is using lower temperatures and lower pressures (approximately 100 bar) than were used in the Bergius process. The donor solvent is produced in a separate, fixed bed, catalytic hydrogenation step. Early research was broad in scope including, both hydrogenated and unhydrogenated recycle solvent studies. Alternate solids\\/liquids

  16. EXPERIENCES IN DESIGNING SOLVENTS FOR THE ENVIRONMENT

    EPA Science Inventory

    Solvents used throughout industry are chosen to meet specific technological requirements such as solute solubility, cleaning and degreasing, or being a medium for paints and coatings. With the increasing awareness of the human health effects and environmental tisks of solvent use...

  17. EXPERIENCES IN DESIGNING SOLVENTS FOR THE ENVIRONMENT

    EPA Science Inventory

    Solvents used throughout industry are chosen to meet specific technological requirements such as solute solubility, cleaning and degreasing, or being a medium for paints and coatings. With the increasing awareness of the human health effects and environmental risks of solvent use...

  18. Waste effluent treatment and solvent recovery system

    Microsoft Academic Search

    1985-01-01

    A system for treating waste effluent and recovering solids and solvent material including a reservoir mounted on a stand connected by means to a solvent migrator including an adjustable trough for receiving new solution, a secondary reservoir with a cloth or absorbent material designed to contact the fluid in the secondary reservoir, while parallel to the sun's rays, an automatic

  19. A phenomenological model of dynamical arrest of electron transfer in solvents in the glass-transition region

    E-print Network

    Matyushov, Dmitry

    in solvents undergoing glass transition is discussed. The reaction constant cuts off slow polarization modes on the transition-state theory. The rate constant is the product of the Boltzmann probability for the system to reach the top of the barrier separating the reactants and products and a frequency factor. For weakly

  20. Organic solvent regeneration of granular activated carbon

    NASA Astrophysics Data System (ADS)

    Cross, W. H.; Suidan, M. T.; Roller, M. A.; Kim, B. R.; Gould, J. P.

    1982-09-01

    The use of activated carbon for the treatment of industrial waste-streams was shown to be an effective treatment. The high costs associated with the replacement or thermal regeneration of the carbon have prohibited the economic feasibility of this process. The in situ solvent regeneration of activated carbon by means of organic solvent extraction was suggested as an economically alternative to thermal regeneration. The important aspects of the solvent regeneration process include: the physical and chemical characteristics of the adsorbent, the pore size distribution and energy of adsorption associated with the activated carbon; the degree of solubility of the adsorbate in the organic solvent; the miscibility of the organic solvent in water; and the temperature at which the generation is performed.

  1. Recovery of actinides extracted by Truex solvent from high level waste using complexing agents

    Microsoft Academic Search

    R. R. Chitnis; P. K. Wattal; A. Ramanujam; P. S. Dhami; V. Gopalakrishanan; A. K. Bauri; A. Banerji

    1999-01-01

    This work deals with the batch studies on stripping of actinides extracted by a mixture octyl(phenyl)-N,N-diisobutyl-carbamoylmethylphosphine\\u000a oxide (CMPO) and tri-n-butyl phosphate (TBP) in n-dodecane (Truex solvent) from simulated high level waste (HLW) solution.\\u000a The stripping of americium and plutonium from acid-bearing CMPO-TBP mixture is carried out using a mixture of weak acid, weak\\u000a base and complexing agent as strippant. A

  2. Variational transition state theory evaluation of the rate constant for proton transfer in a polar solvent

    NASA Astrophysics Data System (ADS)

    McRae, Robin P.; Schenter, Gregory K.; Garrett, Bruce C.; Svetlicic, Zoran; Truhlar, Donald G.

    2001-11-01

    Variational transition state theory (VTST) is used to calculate rate constants for a model proton transfer reaction in a polar solvent. We start from an explicit description of the reacting solute in a solvent, and we model the effects of solvation on the reaction dynamics by a generalized Langevin equation (GLE) for the solute. In this description, the effects of solvation on the reaction energetics are included in the potential of mean force, and dynamical, or nonequilibrium, solvation is included by solvent friction. The GLE solvation dynamics are approximated by a collection of harmonic oscillators that are linearly coupled to the coordinates of the reacting system. This approach is applied to a model developed by Azzouz and Borgis [J. Chem. Phys. 98, 7361 (1993)] to represent proton transfer in a phenol-amine complex in liquid methyl chloride. In particular, semiclassical VTST, including multidimensional tunneling contributions, is applied to this model with three explicit solute coordinates and a multioscillator GLE description of solvation to calculate rate constants. We compare our computed rate constants and H/D kinetic isotope effects to previous calculations using other approximate dynamical theories, including approaches based on one-dimensional models, molecular dynamics with quantum transitions, and path integrals. By examining a systematic sequence of 18 different sets of approximations, we clarify some of the factors (such as classical vibrations, harmonic approximations, quantum character of reaction-coordinate motion, and nonequilibrium solvation) that contribute to the different predictions of various approximation schemes in the literature.

  3. Variational transition state theory evaluation of the rate constant for proton transfer in a polar solvent

    SciTech Connect

    Mcrae, Robin; Schenter, Gregory K.; Garrett, Bruce C.; Svetlicic, Zoran; Truhlar, Donald G.

    2001-11-08

    Variational transition state theory (VTST) is used to calculate rate constants for a model proton transfer reaction in a polar solvent. We start from an explicit description of the reacting solute in a solvent, and we model the effects of solvation on the reaction dynamics by a generalized Langevin equation (GLE) for the solute. In this description, the effects of solvation on the reaction energetics are included in the potential of mean force, and dynamical, or nonequilibrium, solvation is included by solvent friction. The GLE solvation dynamics are approximated by a collection of harmonic oscillators that are linearly coupled to the coordinates of the reacting system. This approach is applied to a model developed by Azzouz and Borgis [J. Chem. Phys. 98, 7361 (1993)] to represent proton transfer in a phenol-amine complex in liquid methyl chloride. In particular, semiclassical VTST, including multidimensional tunneling contributions, is applied to this model with three explicit solute coordinates and a multioscillator GLE description of solvation to calculate rate constants. We compare our computed rate constants and H/D kinetic isotope effects to previous calculations using other approximate dynamical theories, including approaches based on one-dimensional models, molecular dynamics with quantum transitions, and path integrals. By examining a systematic sequence of 18 different sets of approximations, we clarify some of the factors (such as classical vibrations, harmonic approximations, quantum character of reaction-coordinate motion, and nonequilibrium solvation) that contribute to the different predictions of various approximation schemes in the literature.

  4. Inherent weaknesses of cosmology

    NASA Technical Reports Server (NTRS)

    Chiu, H.-Y.

    1986-01-01

    Sources of astrophysical evidence necessary to verify a cosmological model are reviewed. Cosmological history of the universe is divided into four epochs, each unique in its physical conditions related to observability at present. The current epoch, started after recombination of hydrogen in the universe, offers the most in observability. In earlier epochs, verifiable astrophysical evidence gradually disappeared. It seems that no astrophysical evidence has been left behind from the singularity epoch of the Universe. The gradual disappearance of astrophysical evidence ascertainable at present is the result of physical conditions structured within the cosmological models, hence indicating certain inherent weaknesses of cosmology as a verifiable physical theory.

  5. [Neurotoxicity of organic solvents--recent findings].

    PubMed

    Matsuoka, Masato

    2007-06-01

    In this review, the recent findings of central nervous system (CNS) or peripheral nervous system (PNS) dysfunction induced by occupational exposure to organic solvents are described. While acute, high-level exposure to almost all organic solvents causes the general, nonspecific depression of CNS, it is still not clear whether chronic, low-level occupational exposure causes the chronic neurological dysfunction which has been called "organic solvent syndrome", "painters syndrome", "psycho-organic syndrome" or "chronic solvent encephalopathy". At least at lower than occupational exposure limits, chronic and low-level organic solvent exposure does not appear to cause the "sy mptomatic" neurological dysfunction. The chronic, moderate- to high-level exposure to a few organic solvents (such as carbon disulfide, n-hexane and methyl n-butyl ketone) affects CNS or PNS specifically. The substitutes for chlorofluorocarbons, 2-bromopropane and 1-bromopropane were shown to have the peripheral nerve toxicity in the experimental animals. Shortly after these observations, human cases of 1-bromopropane intoxication with the dysfunction of CNS and PNS were reported in the United States. Neurological abnormalities in workers of a 1-bromopropane factory in China were also reported. Thus, the possible neurotoxicity of newly introduced substitutes for ozone-depleting solvents into the workplace must be considered. Enough evidences indicate that some common solvents (such as toluene and styrene) induce sensorineural hearing loss and acquired color vision disturbances in workers. In some studies using magnetic resonance imaging (MRI), cerebral atrophy, patchy periventricular hyperintensities and hypointensities in the basal ganglia were found in solvent-exposed workers as have been shown in toluene abusers (toluene leukoencephalopathy). Further studies using the neurobehavioral test batteries, neurophysiological measurements and advanced neuroimaging techniques are required to detect the "subclinical" dysfunction of nervous systems in workers exposed to organic solvents at low-level. PMID:17585590

  6. A mixed-valence copper coordination polymer generated by hydrothermal metal/ligand redox reactions

    E-print Network

    Li, Jing

    A mixed-valence copper coordination polymer generated by hydrothermal metal/ligand redox reactions A novel coordination polymer of mixed-valence copper(I,II) with 4,4A-bipyridine and in situ oxidized and crystallographically char- acterized to be a laminated structure via weak copper(II)­ oxygen interactions. Extended

  7. Transfers of Colloidal Silica from Water into Organic Solvents of Intermediate Polarities

    Microsoft Academic Search

    Abdeslam Kasseh; Erlend Keh

    1998-01-01

    Dispersions of discrete metal-oxide submicroparticles in organic solvents of medium polarities are uneasy to generate and weakly documented. We address this topic along two general methods focusing on silica. Successive transfers of colloidal particles from water inton-propanol and then into 1,2-dichloroethane by azeotropic distillation yield a stable organosol. The particles are found to be propanol-coated by surface esterification to the

  8. AN ACCELERATED RATE CALORIMETRY STUDY OF CAUSTIC-SIDE SOLVENT EXTRACTION SOLVENT WITHOUT EXTRACTANT

    SciTech Connect

    Fondeur, F; Samuel Fink, S

    2006-03-07

    This study found that 4 - 48 part per thousand (ppth) of Caustic Side Solvent Extraction (CSSX) solvent without extractant in caustic salt solution at evaporator-relevant temperatures result in no process-significant energetic events. However, the data suggest a chemical reaction (possible decomposition) in the CSSX solvent near 140 C. This concentration of entrained solvent is believed to markedly exceed the amount of solvent that will pass from the Modular Caustic Side Solvent Unit (MCU) through the downstream Defense Waste Processing Facility and enter the evaporator through routine tank farm operations. The rate of pressure rise at 140 C differs appreciably - i.e., is reduced - for salt solution containing the organic from that of the same solution without solvent. This behavior is due to a reaction between the CSSX components and the salt solution simulant.

  9. Modeling the solubility of pharmaceuticals in pure solvents and solvent mixtures for drug process design.

    PubMed

    Ruether, Feelly; Sadowski, Gabriele

    2009-11-01

    The knowledge of the solubility of pharmaceuticals in pure solvents and solvent mixtures is crucial for designing the crystallization process of drug substances. The first step in finding optimal crystallization conditions is usually a solvent screening. Since experiments are very time consuming, a model which allows for solubility predictions in pure solvents and solvent mixtures based only on a small amount of experimental data is required. In this work, we investigated the applicability of the thermodynamic model perturbed-chain statistical associating fluid theory (PC-SAFT) to correlate and to predict the solubility of exemplary five typical drug substances and intermediates (paracetamol, ibuprofen, sulfadiazine, p-hydroxyphenylacetic acid, and p-aminophenylacetic acid) in pure solvents and solvent mixtures. PMID:19283772

  10. Weak Gravitational Flexion

    E-print Network

    D. J. Bacon; D. M. Goldberg; B. T. P. Rowe; A. N. Taylor

    2005-04-21

    Flexion is the significant third-order weak gravitational lensing effect responsible for the weakly skewed and arc-like appearance of lensed galaxies. Here we demonstrate how flexion measurements can be used to measure galaxy halo density profiles and large-scale structure on non-linear scales, via galaxy-galaxy lensing, dark matter mapping and cosmic flexion correlation functions. We describe the origin of gravitational flexion, and discuss its four components, two of which are first described here. We also introduce an efficient complex formalism for all orders of lensing distortion. We proceed to examine the flexion predictions for galaxy-galaxy lensing, examining isothermal sphere and Navarro, Frenk & White (NFW) profiles and both circularly symmetric and elliptical cases. We show that in combination with shear we can precisely measure galaxy masses and NFW halo concentrations. We also show how flexion measurements can be used to reconstruct mass maps in 2-D projection on the sky, and in 3-D in combination with redshift data. Finally, we examine the predictions for cosmic flexion, including convergence-flexion cross-correlations, and find that the signal is an effective probe of structure on non-linear scales.

  11. A Framework of Coordinated Defense

    Microsoft Academic Search

    Shuyuan Mary Ho

    Coordinated defense in cyber warfare has emerged to protect information as assets through the use of technologies, policy, and best management practices for defending against coordinated attacks. However, combining massive security technologies, policies, procedures and security staff does not guarantee the effectiveness of defense. Without a well-defined and structured element of coordination, an organization can not stand firm during coordinated

  12. Automated Evaluation of Coordination Approaches

    Microsoft Academic Search

    Tibor Bosse; Mark Hoogendoorn; Jan Treur

    2006-01-01

    How to coordinate the processes in a complex component-based software system is a nontrivial issue. Many different coordination approaches exist, each with its own specific advantages and drawbacks. To support their mutual comparison, this paper proposes a formal methodology to automatically evaluate the performance of coordination approaches. This methodology comprises (1) creation of simulation models of coordination approaches, (2) execution

  13. Cold-spray ionization mass spectrometric detection of a coordination oligomer.

    PubMed

    Ohara, Kazuaki; Yamaguchi, Kentaro

    2012-01-01

    Coordination polymer (CP) formation is an unexplored area in weak-interaction chemistry due to the difficulty of monitoring the coordination process. By using cold-spray ionization mass spectrometry (CSI-MS), several kinds of coordination compounds were detected when CuI metal and the 4,7-phenanthroline organic bridged ligand were mixed in solution. The observed ion peaks could be reasonably and simply assigned to various combinations of the metal and the ligand without any fragmentation. PMID:22790362

  14. 29 CFR 1915.32 - Toxic cleaning solvents.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 7 2010-07-01 2010-07-01 false Toxic cleaning solvents. 1915.32 Section 1915...Surface Preparation and Preservation § 1915.32 Toxic cleaning solvents. (a) When toxic solvents are used, the employer shall...

  15. THE DESIGN OF TECHNOLOGICALLY EFFECTIVE AND ENVIRONMENTALLY BENIGN SOLVENT SUBSTITUTES

    EPA Science Inventory

    There is presently considerable interest in finding environmentally benign replacement solvents that can perform in many different applications as solvents normally do. This requires solvents with desirable properties, e.g., ability to dissolve certain compounds, and without oth...

  16. Prussian blue nanospheres synthesized in deep eutectic solvents.

    PubMed

    Sheng, Qinglin; Liu, Ruixiao; Zheng, Jianbin

    2012-11-01

    A novel route for controlled synthesis of Prussian blue nanospheres (PB NSs) with different sizes by using deep eutectic solvents (DES) as both solvent and template provider was demonstrated. The size-controlled PB NSs were obtained directly by the coordination of Fe(CN)(6)(4-) ion with Fe(3+) ion in the DES. The probable mechanism of formation of PB NSs was discussed based on the characterization results of UV-visible, X-ray diffraction, X-ray photoelectronic spectrum and transfer electron microscopy. Furthermore, the electrochemical and electrocatalytic properties of the synthesized PB NSs were investigated, and it has demonstrated that the PB NSs exhibited excellent catalytic activity for H(2)O(2) reduction, and then extended this strategy to glucose sensing, by detecting H(2)O(2) formed from the enzymatic reaction of glucose oxidase with its substrate glucose. The linear calibration range for glucose was from 0.9 ?M to 0.12 mM, with a correlation coefficient of 0.998. The limit of detection was 0.3 ?M and the sensitivity was 61.7 A cm(-2) M(-1). The present study provides a general platform for the controlled synthesis of novel nanomaterials in DES and can be extended to other optical, electronic and magnetic nanocompounds. PMID:23034657

  17. Order Symmetry of Weak Measurements

    E-print Network

    Lars M. Johansen; Pier A. Mello

    2009-07-30

    Weak values are usually associated with weak measurements of an observable on a pre- and post-selected ensemble. We show that more generally, weak values are proportional to the correlation between two pointers in a successive measurement. We show that this generalized concept of weak measurements displays a symmetry under reversal of measurement order. We show that the conditions for order symmetry are the same as in classical mechanics. We also find that the imaginary part of the weak value has a counterpart in classical mechanics. This scheme suggests new experimental possibilities.

  18. Optical coordinate transformations.

    PubMed

    Davidson, N; Friesem, A A; Hasman, E

    1992-03-10

    A novel technique for designing holographic optical elements that can perform general types of coordinate transformation is presented. The design is based on analytic ray-tracing techniques for finding the grating vector of the element, from which the holographic grating function is obtained as a solution of a Poissonlike equation. The grating function can be formed either as a computer-generated or as a computer-originated hologram. The design and realization procedure are illustrated for a specific holographic element that performs a logarithmic coordinate transformation on two-dimensional patterns. PMID:20720723

  19. Coordinate Standard Measurement Development

    SciTech Connect

    Hanshaw, R.A.

    2000-02-18

    A Shelton Precision Interferometer Base, which is used for calibration of coordinate standards, was improved through hardware replacement, software geometry error correction, and reduction of vibration effects. Substantial increases in resolution and reliability, as well as reduction in sampling time, were achieved through hardware replacement; vibration effects were reduced substantially through modification of the machine component dampening and software routines; and the majority of the machine's geometry error was corrected through software geometry error correction. Because of these modifications, the uncertainty of coordinate standards calibrated on this device has been reduced dramatically.

  20. Weak localization and weak anti-localization in topological insulators

    NASA Astrophysics Data System (ADS)

    Lu, Hai-Zhou; Shen, Shun-Qing

    2014-08-01

    Weak localization and weak anti-localization are quantum interference effects in quantum transport in a disor- dered electron system. Weak anti-localization enhances the conductivity and weak localization suppresses the conductivity with decreasing temperature at very low temperatures. A magnetic field can destroy the quantum interference effect, giving rise to a cusp-like positive and negative magnetoconductivity as the signatures of weak localization and weak anti-localization, respectively. These effects have been widely observed in topological in- sulators. In this article, we review recent progresses in both theory and experiment of weak (anti-)localization in topological insulators, where the quasiparticles are described as Dirac fermions. We predicted a crossover from weak anti-localization to weak localization if the massless Dirac fermions (such as the surface states of topo- logical insulator) acquire a Dirac mass, which was confirmed experimentally. The bulk states in a topological insulator thin film can exhibit the weak localization effect, quite different from other system with strong spin- orbit interaction. We compare the localization behaviors of Dirac fermions with conventional electron systems in the presence of disorders of different symmetries. Finally, we show that both the interaction and quantum interference are required to account for the experimentally observed temperature and magnetic field dependence of the conductivity at low temperatures.

  1. Polar Solvents Trigger Formation of Reverse Micelles.

    PubMed

    Khoshnood, Atefeh; Firoozabadi, Abbas

    2015-06-01

    We use molecular dynamics simulations and molecular thermodynamics to investigate the formation of reverse micelles in a system of surfactants and nonpolar solvents. Since the early observation of reverse micelles, the question has been whether the existence of polar solvent molecules such as water is the driving force for the formation of reverse micelles in nonpolar solvents. In this work, we use a simple coarse-grained model of surfactants and solvents to show that a small number of polar solvent molecules triggers the formation of large permanent aggregates. In the absence of polar molecules, both the thermodynamic model and molecular simulations show that small aggregates are more populated in the solution and larger ones are less frequent as the system evolves over time. The size and shape of reverse micelles depend on the size of the polar core: the shape is spherical for a large core and ellipsoidal for a smaller one. Using the coarse-grained model, we also investigate the effect of temperature and surfactant tail length. Our results reveal that the number of surfactant molecules in the micelle decreases as the temperature increases, but the average diameter does not change because the size of the polar core remains invariant. A reverse micelle with small polar core attracts fewer surfactants when the tail is long. The uptake of solvent particles by a micelle of longer surfactant tail is less than shorter ones when the polar solvent particles are initially distributed randomly. PMID:25941967

  2. Organic Solvent Tolerant Lipases and Applications

    PubMed Central

    Kanwar, Shamsher S.

    2014-01-01

    Lipases are a group of enzymes naturally endowed with the property of performing reactions in aqueous as well as organic solvents. The esterification reactions using lipase(s) could be performed in water-restricted organic media as organic solvent(s) not only improve(s) the solubility of substrate and reactant in reaction mixture but also permit(s) the reaction in the reverse direction, and often it is easy to recover the product in organic phase in two-phase equilibrium systems. The use of organic solvent tolerant lipase in organic media has exhibited many advantages: increased activity and stability, regiospecificity and stereoselectivity, higher solubility of substrate, ease of products recovery, and ability to shift the reaction equilibrium toward synthetic direction. Therefore the search for organic solvent tolerant enzymes has been an extensive area of research. A variety of fatty acid esters are now being produced commercially using immobilized lipase in nonaqueous solvents. This review describes the organic tolerance and industrial application of lipases. The main emphasis is to study the nature of organic solvent tolerant lipases. Also, the potential industrial applications that make lipases the biocatalysts of choice for the present and future have been presented. PMID:24672342

  3. Models for liquid-liquid partition in the system propylene carbonate-organic solvent and their use for estimating descriptors for organic compounds.

    PubMed

    Karunasekara, Thushara; Poole, Colin F

    2011-02-11

    Partition coefficients for varied compounds were determined for the organic solvent-propylene carbonate biphasic partition system where the organic solvent is n-heptane, isopentyl ether or 1-octanol. These partition coefficient databases are analyzed using the solvation parameter model facilitating a quantitative comparison of the propylene carbonate-based partition systems with other totally organic partition systems. Propylene carbonate is a weak to intermediate cohesive solvent, reasonably dipolar/polarizable and hydrogen-bond basic, and weak hydrogen-bond acidic. Propylene carbonate-organic solvent systems offer a complementary approach to other totally organic biphasic partition systems for sample preparation and descriptor measurements of compounds virtually insoluble or unstable in water. PMID:21208619

  4. Unusual effects of solvent polarity on capacitance for organic electrolytes in a nanoporous electrode.

    PubMed

    Jiang, De-en; Wu, Jianzhong

    2014-05-21

    The interplay between ions and solvent molecules inside the nanoporous electrodes of a supercapacitor has not been well understood but could be a fertile ground for new insights into the device's performance. By tuning the dipole moment of the solvent in an organic electrolyte, we find, from classical density functional theory calculations, pronounced oscillation of capacitance with the pore size for a moderately to weakly polar solvent. A quantitative analysis of the electric-double-layer (EDL) structure indicates that the capacitance oscillation shares a similar physical origin to that of an ionic liquid electrolyte: the oscillatory behavior arises from the formation of alternating layers of counterions and coions near strongly charged surfaces. More interestingly, we find that in the large-pore region, the capacitance versus the pore size has a volcano-shaped trend; in other words, there exists a solvent dipole moment that yields a maximal capacitance. These theoretical predictions can be validated with future experiments and highlight the great potential in tuning the organic solvent to achieve optimal performance of EDL capacitors. PMID:24733527

  5. Cyclic Solvent Vapor Annealing for Rapid, Robust Vertical Orientation of Features in BCP Thin Films

    NASA Astrophysics Data System (ADS)

    Paradiso, Sean; Delaney, Kris; Fredrickson, Glenn

    2015-03-01

    Methods for reliably controlling block copolymer self assembly have seen much attention over the past decade as new applications for nanostructured thin films emerge in the fields of nanopatterning and lithography. While solvent assisted annealing techniques are established as flexible and simple methods for achieving long range order, solvent annealing alone exhibits a very weak thermodynamic driving force for vertically orienting domains with respect to the free surface. To address the desire for oriented features, we have investigated a cyclic solvent vapor annealing (CSVA) approach that combines the mobility benefits of solvent annealing with selective stress experienced by structures oriented parallel to the free surface as the film is repeatedly swollen with solvent and dried. Using dynamical self-consistent field theory (DSCFT) calculations, we establish the conditions under which the method significantly outperforms both static and cyclic thermal annealing and implicate the orientation selection as a consequence of the swelling/deswelling process. Our results suggest that CSVA may prove to be a potent method for the rapid formation of highly ordered, vertically oriented features in block copolymer thin films.

  6. Ten years of probabilistic estimates of biocrystal solvent content: new insights via nonparametric kernel density estimate.

    PubMed

    Weichenberger, Christian X; Rupp, Bernhard

    2014-06-01

    The probabilistic estimate of the solvent content (Matthews probability) was first introduced in 2003. Given that the Matthews probability is based on prior information, revisiting the empirical foundation of this widely used solvent-content estimate is appropriate. The parameter set for the original Matthews probability distribution function employed in MATTPROB has been updated after ten years of rapid PDB growth. A new nonparametric kernel density estimator has been implemented to calculate the Matthews probabilities directly from empirical solvent-content data, thus avoiding the need to revise the multiple parameters of the original binned empirical fit function. The influence and dependency of other possible parameters determining the solvent content of protein crystals have been examined. Detailed analysis showed that resolution is the primary and dominating model parameter correlated with solvent content. Modifications of protein specific density for low molecular weight have no practical effect, and there is no correlation with oligomerization state. A weak, and in practice irrelevant, dependency on symmetry and molecular weight is present, but cannot be satisfactorily explained by simple linear or categorical models. The Bayesian argument that the observed resolution represents only a lower limit for the true diffraction potential of the crystal is maintained. The new kernel density estimator is implemented as the primary option in the MATTPROB web application at http://www.ruppweb.org/mattprob/. PMID:24914969

  7. Specific binding of ethanol to cholesterol in organic solvents.

    PubMed Central

    Daragan, V A; Voloshin, A M; Chochina, S V; Khazanovich, T N; Wood, W G; Avdulov, N A; Mayo, K H

    2000-01-01

    Although ethanol has been reported to affect cholesterol homeostasis in biological membranes, the molecular mechanism of action is unknown. Here, nuclear magnetic resonance (NMR) spectroscopic techniques have been used to investigate possible direct interactions between ethanol and cholesterol in various low dielectric solvents (acetone, methanol, isopropanol, DMF, DMSO, chloroform, and CCl(4)). Measurement of (13)C chemical shifts, spin-lattice and multiplet relaxation times, as well as self-diffusion coefficients, indicates that ethanol interacts weakly, yet specifically, with the HC-OH moiety and the two flanking methylenes in the cyclohexanol ring of cholesterol. This interaction is most strong in the least polar-solvent carbon tetrachloride where the ethanol-cholesterol equilibrium dissociation constant is estimated to be 2 x 10(-3) M. (13)C-NMR spin-lattice relaxation studies allow insight into the geometry of this complex, which is best modeled with the methyl group of ethanol sandwiched between the two methylenes in the cyclohexanol ring and the hydroxyl group of ethanol hydrogen bonded to the hydroxyl group of cholesterol. PMID:10866966

  8. Syntheses and Study of Some New Coordination Polymers Mn (II) with Semiconductor Properties

    Microsoft Academic Search

    I. Rosca; L. Oprea; D. Sutiman; A. Cailean; E. Neagu; M. Vizitiu; D. Sibiescu; G. Apostolescu

    2003-01-01

    In this paper, the synthesis and the study of some coordination polymers of Mn (II) with ligands derived from acids: dinaphtylphosphinic, dinaphtylthiophosphinic and dinaphtyldithiophosphinic are presented. The synthesis was accomplished by refluxing in organic solvents the reactants: acetylacetonate of Mn (II) and one of the respective phosphinic acids. Studies were performed applying the following methods: chemical analysis, gel chromatography: IR-spectroscopy;

  9. Weak Acid Equilibrium

    NSDL National Science Digital Library

    michael stapleton

    Students are asked to calculate the pH of a weak acid aqueous solution. The problems involve a series of generic acids with assigned equilibrium constants (Ka) and total concentrations (Ct). Initially, students are required to hand calculate all problems by algebraic manipulation of the mathematical relationships of the system. The solution is a cubic equation. Through a series of assumptions, the solution is simplified. The assumptions are based on the chemistry of the system given the Ka and Ct for the problem. The problems are then graphically solved. Ultimately, the students develop an Excel worksheet to solve the problems and a Bjerrum plot to display the speciation as a function of pH.

  10. Switchable solvents and methods of use thereof

    DOEpatents

    Jessop, Philip G; Eckert, Charles A; Liotta, Charles L; Heldebrant, David J

    2014-04-29

    A solvent that reversibly converts from a nonionic liquid mixture to an ionic liquid upon contact with a selected trigger, e.g., contact with CO.sub.2, is described. In preferred embodiments, the ionic solvent is readily converted back to the nonionic liquid mixture. The nonionic liquid mixture includes an amidine or guanidine or both, and water, alcohol, or a combination thereof. Single component amine solvents that reversibly convert between ionic and non-ionic states are also described. Some embodiments require increased pressure to convert; others convert at 1 atmosphere.

  11. Mechanism of paint removing by organic solvents

    SciTech Connect

    Del Nero, V.; Siat, C.; Marti, M.J.; Aubry, J.M. [Laboratoire de Chimie de Formulation, ENSCL, 59652 Villeneuve d`Ascq Cedex (France); Lallier, J.P. [C.A.L., Elf-Atochem, 92300 Levallois-Perret (France); Dupuy, N.; Huvenne, J.P. [LASIR, U.S.Y.L., 59650 Villeneuve d`Ascq. (France)

    1996-01-01

    The mechanism of paint removing has been studied by comparing the stripping efficiency of a given solvent with its ability to swell the film. The most effective solvents have a Hildebrand{close_quote}s parameter, {delta}{sub H}, ranging from 10.5 to 12 and a Dimroth parameter, ET{sub (30)}, ranging from 0.25 to 0.4. The synergy observed with the mixtures DMSO/non polar solvent is explained by a dissociation of the DMSO clusters into individual molecules which diffuse more easily. {copyright} {ital 1996 American Institute of Physics.}

  12. Switchable solvents and methods of use thereof

    DOEpatents

    Jessop, Philip G.; Eckert, Charles A.; Liotta, Charles L.; Heldebrant, David J.

    2013-08-20

    A solvent that reversibly converts from a nonionic liquid mixture to an ionic liquid upon contact with a selected trigger, e.g., contact with CO.sub.2, is described. In preferred embodiments, the ionic solvent is readily converted back to the nonionic liquid mixture. The nonionic liquid mixture includes an amidine or guanidine or both, and water, alcohol, or a combination thereof. Single component amine solvents that reversibly convert between ionic and non-ionic states are also described. Some embodiments require increased pressure to convert; others convert at 1 atmosphere.

  13. Switchable solvents and methods of use thereof

    DOEpatents

    Jessop, Philip G. (Kingston, CA); Eckert, Charles A. (Atlanta, GA); Liotta, Charles L. (Atlanta, GA); Heldebrant, David J. (Richland, WA)

    2011-07-19

    A solvent that reversibly converts from a nonionic liquid mixture to an ionic liquid upon contact with a selected trigger, e.g., contact with CO.sub.2, is described. In preferred embodiments, the ionic solvent is readily converted back to the nonionic liquid mixture. The nonionic liquid mixture includes an amidine or guanidine or both, and water, alcohol, or a combination thereof. Single component amine solvents that reversibly convert between ionic and non-ionic states are also described. Some embodiments require increased pressure to convert; others convert at 1 atmosphere.

  14. Genomic and Genetic Approaches to Solvent Tolerance

    SciTech Connect

    Eleftherios T. Papoutsakis

    2005-06-10

    The proposed research is to understand and exploit the molecular basis that determines tolerance of the industrially important anaerobic clostridia to solvents. Furthermore, we aim to develop general genomic and metabolic engineering strategies for understanding the molecular basis of tolerance to chemicals and for developing tolerant strains. Our hypothesis is that the molecular basis of what makes bacterial cells able to withstand high solvent concentrations can be used to metabolically engineer cells so that they can tolerate higher concentrations of solvents and related chemicals.

  15. What makes critical-solvent processes work

    SciTech Connect

    Brule, M.R.; Corbett, R.W.

    1984-06-01

    Critical-solvent processing (sometimes called supercritical-gas extraction) is an ongoing technology based on phase-equilibrium phenomena in the critical region. Many new practical applications of critical-solvent processing are being conceived and implemented in the food, drug and chemical industries. The advantages afforded by critical-solvent processing in performing difficult separations such as caffeine from coffee, nicotine from tobacco, chemotherapeutic drugs from plants, and chemical feedstocks from petroleum and synfuels residua have been realized just in the last decade or so.

  16. Cleaning solvent substitution in electronic assemblies

    SciTech Connect

    Meier, G.J.

    1993-09-01

    Alternatives to chlorinated and fluorinated solvents have been identified, qualified, and implemented into production of complex electronic assemblies. Extensive compatibility studies were performed with components, piece-parts, and materials. Electrical testing and accelerated aging were used to screen for detrimental, long-term effects. A terpene, d-limonene, has been selected as the solvent of choice for cleaning complex electronic assemblies, and has been found to be compatible with the components and materials tested. A brief history of the overall project will be presented, along with representative cleaning efficiency results, compatibility results, and residual solvent data.

  17. Learning the Coordinate Gradients

    Microsoft Academic Search

    Yiming Ying; Qiang Wu; Colin Campbell

    In this paper we study the problem of learning the gradient function with application to variable selection and determining variable covariation. Firstly, we pro- pose a novel unifying framework for coordinate gradient learning from the perspective of multi-task learning. Various variable selection algorithms can be regarded as spe- cial instances of this framework. Secondly, we formulate the dual problems of

  18. Future Coordinated Universal Time

    Microsoft Academic Search

    Dennis D. McCarthy

    2000-01-01

    Coordinated Universal Time (UTC), created by adjusting International Atomic Time (TAI) by the appropriate number of leap seconds, is the uniform time scale that is the basis of most civil timekeeping in the world. The concept of a leap second was introduced to ensure that UTC would not differ by more than 0.9 seconds from UT1, the time determined by

  19. Coordination and Policy Traps

    Microsoft Academic Search

    George-Marios Angeletos; Christian Hellwig; Alessandro Pavan

    2003-01-01

    This paper examines the ability of a policy maker to control equilibrium outcomes in an environment where market participants play a coordination game with information heterogeneity. We consider defense policies against speculative currency attacks in a model where speculators observe the fundamentals with idiosyncratic noise. The policy maker is willing to take a costly policy action only for moderate fundamentals.

  20. Evolution of Dynamic Coordination

    E-print Network

    Jarvis, Erich D.

    of neurons, neural circuits, and neural computations across the animal kingdom; (b) brain organization­behavior relationships across animal taxa; and (c) the need for broadly comparative studies of the relationship of neural structures, neural functions, and behavioral coordination. Below we present an overview of neural machinery

  1. Coordination of Hand Shape

    PubMed Central

    Pesyna, Colin; Pundi, Krishna; Flanders, Martha

    2011-01-01

    The neural control of hand movement involves coordination of the sensory, motor and memory systems. Recent studies have documented the motor coordinates for hand shape, but less is known about the corresponding patterns of somatosensory activity. To initiate this line of investigation, the present study characterized the sense of hand shape by evaluating the influence of differences in the amount of grasping or twisting force, and differences in forearm orientation. Human subjects were asked to use the left hand to report the perceived shape of the right hand. In Experiment 1, six commonly grasped items were arranged on the table in front of the subject: bottle, doorknob, egg, notebook, carton, pan. With eyes closed, subjects used the right hand to lightly touch, forcefully support or imagine holding each object, while 15 joint angles were measured in each hand with a pair of wired gloves. The forces introduced by supporting or twisting did not influence the perceptual report of hand shape, but for most objects, the report was distorted in a consistent manner by differences in forearm orientation. Subjects appeared to adjust the intrinsic joint angles of the left hand, as well as the left wrist posture, so as to maintain the imagined object in its proper spatial orientation. In a second experiment, this result was largely replicated with unfamiliar objects. Thus somatosensory and motor information appear to be coordinated in an object-based, spatial coordinate system, sensitive to orientation relative to gravitational forces, but invariant to grasp forcefulness. PMID:21389230

  2. My Coordinates Nora Noffke

    E-print Network

    Noffke, Nora

    My Coordinates Nora Noffke MS, PhD Associate Professor Old Dominion University Ocean, Earth and microbial mats in sandy marine settings ­ today and through Earth history; Interactions of benthic realm; Earth's earliest environments; Ichnology Background I grew up in southern Germany, where I

  3. Dynamic Coordinated Email Visualization

    Microsoft Academic Search

    Simone Frau; Jonathan C. Roberts; Nadia Boukhelifa

    2005-01-01

    Many computer users receive hundreds (if not thousands) of emails per week; users often keep these emails and have many years of personal emails archived: users use their stored emails to manage appointments, to-do lists, and store useful information. In this paper we present an interactive email visualization tool (Mailview) that utilizes filter and coordination techniques to explore this archived

  4. T-duality in the weakly curved background

    E-print Network

    Davidovi?, Lj

    2014-01-01

    We consider the closed string propagating in the weakly curved background which consists of constant metric and Kalb-Ramond field with infinitesimally small coordinate dependent part. We perform T-duality transformations along coordinates on which the Kalb-Ramond field depends. For the closed string in the weakly curved background, this is still the isometry. We obtain the T-dual theory defined in the nongeometric double space, described by the Lagrange multiplier $y_\\mu$ and its $T$-dual in absence of background fields $\\tilde{y}_\\mu$. We find the global symmetry of the $T$-dual theory, in the doubled target space and the procedure to return to the initial theory. We demonstrate the standard relations between T-dual theories that the equations of motion and momenta modes of one theory are the Bianchi identities and the winding modes of the other.

  5. 4f–4f absorption spectra of nine-coordinate Pr (III) and Nd (III) complexes in different environments

    Microsoft Academic Search

    Azad A Khan; H. A Hussain; K Iftikhar

    2003-01-01

    Absorption spectroscopic studies on the mixed-ligand complexes of Pr (III) and Nd (III) with 2,2?-bipyridyl and thiocyanate in pyridine, DMSO, DMF and methanol are presented. The oscillator strengths for the hypersensitive and non-hypersensitive transitions have been calculated and variation in the oscillator strength and band shapes with respect to solvent type is rationalized in terms of solvent structures and coordinating

  6. Biological monitoring of chlorinated hydrocarbon solvents

    SciTech Connect

    Monster, A.C.

    1986-08-01

    The possibility of biological monitoring of exposure to some volatile, halogenated hydrocarbons will be discussed. Most of these agents are widely used as solvents. All agents act on the nervous system as narcotics and differ widely in toxicity. Most of the solvents undergo biotransformation to metabolites. This allows biological assessment of exposure by measurement of the solvent and/or metabolites in exhaled air, blood, and/or urine. However, the same metabolites may occur with exposure to different chlorinated hydrocarbons, eg, trichloroethanol and trichloroacetic acid from exposure to trichloroethene, tetrachloroethene, and 1,1,1-trichloroethane. On the other hand, these agents differ widely in the percentage that is metabolized. There are large gaps in our knowledge, however, and much research will have to be carried out before even tentative data can be established for most of the solvents.

  7. Optimizing injected solvent fraction in stratified reservoirs 

    E-print Network

    Moon, Gary Michael

    1993-01-01

    low permeability layers may be scarcely swept at all. Presence or absence of transverse communication between layers can modify overall sweep efficiency. This work is a study of water-solvent injection in stratified reservoirs based on computer...

  8. Innovative Technologies for Chlorinated Solvent Remediation

    NASA Astrophysics Data System (ADS)

    Pennell, Kurt D.; Cápiro, Natalie L.

    2014-07-01

    The following sections are included: * INTRODUCTION * TRADITIONAL REMEDIATION TECHNOLOGIES (1980s) * RESEARCH AND DEVELOPMENT OF INNOVATIVE REMEDIATION TECHNOLOGIES (1990s-2000s) * CURRENT TRENDS IN CHLORINATED SOLVENT REMEDIATION (2010s) * CLOSING THOUGHTS * REFERENCES

  9. SOLVENT EXTRACTION OF ORGANIC WATER POLLUTANTS

    EPA Science Inventory

    Based on experiments with model systems of known organic water pollutants and environmental samples, conclusions are reached concerning the best general solvent for extraction and the most appropriate methods for related manipulations. Chloroform, methylene chloride-ether mixture...

  10. SOURCE ASSESSMENT: SOLVENT EVAPORATION - DEGREASING OPERATIONS

    EPA Science Inventory

    This report describes a study of air emissions from solvent degreasing and fabric scouring operations. This study was completed to provide EPA with sufficient information to determine whether additional control technology needs to be developed for these emission sources. Degreasi...

  11. Used lubricating oil recycling using hydrocarbon solvents.

    PubMed

    Hamad, Ahmad; Al-Zubaidy, Essam; Fayed, Muhammad E

    2005-01-01

    A solvent extraction process using new hydrocarbon solvents was employed to treat used lubricant oil. The solvents used were liquefied petroleum gas (LPG) condensate and stabilized condensate. A demulsifier was used to enhance the treatment process. The extraction process using stabilized condensate demonstrated characteristics that make it competitive with existing used oil treatment technologies. The process is able to reduce the asphaltene content of the treated lubricating oil to 0.106% (w/w), the ash content to 0.108%, and the carbon residue to 0.315% with very low levels of contaminant metals. The overall yield of oil is 79%. The treated used oil can be recycled as base lubricating oil. The major disadvantage of this work is the high temperature of solvent recovery. Experimental work and results are presented in detail. PMID:15627468

  12. Brayton Solvent Recovery Heat Pump Technology Update 

    E-print Network

    Enneking, J. C.

    1993-01-01

    The Brayton cycle technology was developed to reduce the temperature of gas streams containing solvents in order to condense and recover them. While the use of turbo compressor/expander machinery in conjunction with an energy recuperator...

  13. Accelerated solvent extraction of petroleum contaminated sediments

    E-print Network

    Bauguss, Jeffery Lynn

    1997-01-01

    Attempts have been made in recent years to find acceptable alternatives to classical soxhlet extraction of petroleum contaminated sediments. One such method that is very promising is accelerated solvent extraction also referred to as high pressure...

  14. United States Air Force Wipe Solvent Testing

    NASA Technical Reports Server (NTRS)

    Hornung, Steven D.; Beeson, Harold D.

    2000-01-01

    The Wright-Patterson Air Force Base (WPAFB), as part of the Air Force Material Command, requested that NASA Johnson Space Center (JSC) White Sands Test Facility (WSTF) conduct testing and analyses in support of the United States Air Force Wipe Solvent Development Project. The purpose of the wipe solvent project is to develop an alternative to be used by Air Force flight line and maintenance personnel for the wipe cleaning of oxygen equipment. This report provides material compatibility, liquid oxygen (LOX) mechanical impact, autogenous ignition temperature (AIT), and gauge cleaning test data for some of the currently available solvents that may be used to replace CFC-113 and methyl chloroform. It provides data from previous WSTF test programs sponsored by the Naval Sea Systems Command, the Kennedy Space Center, and other NASA programs for the purpose of assisting WP AFB in identifying the best alternative solvents for validation testing.

  15. Solvent exposures in screen printing shops.

    PubMed

    Horstman, S W; Browning, S R; Szeluga, R; Burzycki, J; Stebbins, A

    2001-01-01

    A comprehensive description of working conditions, exposure patterns for organic solvents, and related health symptoms among workers in ten small screen printing companies located in Seattle, Washington, is presented. Sampling methods included continuous area monitoring, grab sampling, personal sampling, and time study observation. A total of 27 workers were observed and monitored for solvent exposure. Short-term peak exposures were characterized in terms of magnitude, duration and repetition, and their contribution to time weighted average (TWA) exposures were evaluated. A health questionnaire addressing the symptoms potentially attributable to solvents was used to investigate the possible health effects from exposure. Significant differences in the prevalence of headaches, dizziness, intoxication, and dry skin (p < 0.01) were reported among workers who had some solvent exposure compared with the referent group that was not exposed. Exposed workers were also more likely to report fatigue, loss of strength in the arms and hands, difficulty concentrating, sore throat, and a low alcohol tolerance. The study documented highly variable levels of solvent exposures. Screen printing workers in different companies, while performing the same basic tasks, had time weighted average (TWA) exposures ranging from 2% to 100% of the recommended threshold limit value (TLV) for mixtures. Continuous monitoring indicated that high short-term exposures are responsible for the bulk of TWA exposures. Grab samples and continuous monitoring verified that recommended Short Term Exposure Limits (STEL) for individual solvents may be exceeded on a routine basis. Frequent skin contact with solvents was also observed. Health problems in this industry and other small industries using organic solvents may result from these complex patterns of exposure. PMID:11759907

  16. Method of stripping metals from organic solvents

    DOEpatents

    Todd, Terry A. (Aberdeen, ID); Law, Jack D. (Pocatello, ID); Herbst, R. Scott (Idaho Falls, ID); Romanovskiy, Valeriy N. (St. Petersburg, RU); Smirnov, Igor V. (St.-Petersburg, RU); Babain, Vasily A. (St-Petersburg, RU); Esimantovski, Vyatcheslav M. (St-Petersburg, RU)

    2009-02-24

    A new method to strip metals from organic solvents in a manner that allows for the recycle of the stripping agent. The method utilizes carbonate solutions of organic amines with complexants, in low concentrations, to strip metals from organic solvents. The method allows for the distillation and reuse of organic amines. The concentrated metal/complexant fraction from distillation is more amenable to immobilization than solutions resulting from current practice.

  17. Scleroderma and Solvent Exposure among Women

    Microsoft Academic Search

    David H. Garabrant; James V. Lacey; Timothy J. Laing; Brenda W. Gillespie; Maureen D. Mayes; Brenda C. Cooper; David Schottenfeld

    2003-01-01

    Exposure to solvents has been reported to increase the risk of scleroderma. The authors investigated the relation between exposures to solvents in occupational and hobby settings and the development of scleroderma among women in a case-control study with population-based controls in Michigan (1980-1991) and Ohio (1980- 1992). A total of 660 cases and 2,227 frequency-matched controls were interviewed by telephone.

  18. Pressurized solvent extraction of wheat germ oil

    Microsoft Academic Search

    Nurhan Turgut Dunford; Minquan Zhang

    2003-01-01

    This study examined the pressurized solvent extraction of wheat germ oil. The effects of temperature (45–135 °C at 1500 psi), extraction time, sample size and solvent type on the extraction efficiency and oil quality were studied. Extraction efficiency of the normal-hexane was compared to that of the iso- and high purity-hexane, iso-propanol, ethanol and acetone. The extracts were analyzed for n-3

  19. RESEARCH COORDINATOR Job Title: Research Coordinator FLSA Status: Exempt

    E-print Network

    Massachusetts at Amherst, University of

    including the following: Coordinate clinical trial recruitment and enrollment of research participants range of clinical intervention, prevention, assessment, and data monitoring products. The Research Coordinator (RC) provides support to the Principal Investigator (and other clinical research team members

  20. Regenerate activated carbon using organic solvents

    SciTech Connect

    McLaughlin, H.S.

    1995-07-01

    Adsorption by activated carbon is widely used to remove chemical species from waters and wastewater and volatile organic compounds from vapor streams. In normal applications, the activated carbon gradually accumulates the chemical species removed from the liquid or vapor stream. This causes a progressive reduction in the carbon`s ability to remove additional chemicals from the stream, and eventually the adsorption capacity is consumed and the carbon is spent. At this point, the carbon must either be replaced or be regenerated to restore its adsorptive capacity. Solvent regeneration is one such technology. It uses solvents to dissolve adsorbed material out of the pores of the activated carbon. Then the solvent is removed by steam. This article discusses where solvent regeneration fits into the overall scheme of activated carbon applications and regeneration options. Cost-wise, solvent regeneration of activated carbon is only a few cents per pound more expensive than steam regeneration, and less than one-tenth as expensive as thermal regeneration. Because steam regeneration is appropriate for only certain industrial applications (discussed later), the choice is usually between solvent and thermal regeneration.

  1. CHEMICAL STABILITY OF POLYPHENYLENE SULFIDE IN THE NEXT GENERATION SOLVENT FOR CAUSTIC-SIDE SOLVENT EXTRACTION

    SciTech Connect

    Fondeur, F.; Fink, S.

    2011-12-08

    The Office of Waste Processing, within the Office of Technology Innovation and Development, is funding the development of an enhanced solvent for deployment at the Savannah River Site for removal of cesium from High Level Waste. For simplicity, this solvent is referred to as the Next Generation Solvent (NGS). The technical effort is collaboration between Oak Ridge National Laboratory (ORNL), Savannah River National Laboratory (SRNL), and Argonne National Laboratory. The initial deployment target envisioned for the technology was within the Modular Caustic-Side Solvent Extraction Unit (MCU). Deployment of a new chemical within an existing facility requires verification that the chemical components are compatible with the installed equipment. In the instance of a new organic solvent, the primary focus is on compatibility of the solvent with polyphenylene sulfide (PPS), the polymer used in the coalescers within MCU. This report provides the data from exposing PPS polymer to NGS. The test was conducted over a three month period. PPS is remarkably stable in the presence of the next generation solvent. Testing showed no indication of swelling or significant leaching. Preferential sorption of the Modifier on PPS was observed but the same behavior occurs with the baseline solvent. Therefore, PPS coalescers exposed to the NGS are expected to perform comparably to those in contact with the baseline solvent.

  2. The Unit Coordinator Handbook About the Unit Coordinator Handbook

    E-print Network

    1 The Unit Coordinator Handbook About the Unit Coordinator Handbook This Handbook will assist you raised in this Handbook can be obtained from: · Curtin's Teaching and Learning Handbook · the Dean.curtin.edu.au/professional_development/seminars/foundations/about.cfm #12;2 Contents The Unit Coordinator Handbook

  3. Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks

    SciTech Connect

    Plonka A. M.; Parise J.; Banerjee, D.

    2012-03-28

    Using different structural isomers (2,5-; 2,4-; 2;6-; 3,4-; 3,5-) of pyridinedicarboxylic acid, nine calcium-based coordination networks were synthesized under hydro-/solvothermal conditions and/or were produced via solvent recrystallization of previously synthesized compounds. The coordination networks reported were characterized using single crystal X-ray diffraction and thermal methods. They show diverse structural topologies, depending on the ligand geometry and coordinated solvent molecules, with inorganic connectivity motifs ranging from isolated octahedra to infinite chains, layer and a three-dimensional dense framework. The as-synthesized and desolvated networks further show structural transformation to hydrated phases through dissolution/reformation pathways. The process is likely driven by the high hydration energy of the calcium metal center.

  4. General Coordinates Game

    NSDL National Science Digital Library

    2005-01-01

    This interactive Java applet allows users to plot a "house" on a -10 by 10 coordinate plane. A "view" mode allows users to enter an ordered pair and move the house to that location. The "guess" mode randomly plots the house on the plane and the user must enter the ordered pair for its location. An optional scoring feature allows users to keep track of the number correct.

  5. Proton transfer in a polar solvent from ring polymer reaction rate theory

    NASA Astrophysics Data System (ADS)

    Collepardo-Guevara, Rosana; Craig, Ian R.; Manolopoulos, David E.

    2008-04-01

    We have used the ring polymer molecular dynamics method to study the Azzouz-Borgis model for proton transfer between phenol (AH) and trimethylamine (B) in liquid methyl chloride. When the A-H distance is used as the reaction coordinate, the ring polymer trajectories are found to exhibit multiple recrossings of the transition state dividing surface and to give a rate coefficient that is smaller than the quantum transition state theory value by an order of magnitude. This is to be expected on kinematic grounds for a heavy-light-heavy reaction when the light atom transfer coordinate is used as the reaction coordinate, and it clearly precludes the use of transition state theory with this reaction coordinate. As has been shown previously for this problem, a solvent polarization coordinate defined in terms of the expectation value of the proton transfer distance in the ground adiabatic quantum state provides a better reaction coordinate with less recrossing. These results are discussed in light of the wide body of earlier theoretical work on the Azzouz-Borgis model and the considerable range of previously reported values for its proton and deuteron transfer rate coefficients.

  6. Hipparchus' coordinate system

    NASA Astrophysics Data System (ADS)

    Duke, Dennis W.

    2002-07-01

    In his "Histoire de l'Astronomie Ancienne" Delambre concludes unequivocally that Hipparchus knew and used a definite system of celestial spherical coordinates, namely the right ascension and declination system that we use today. The basis of Delambre's conclusion was disarmingly simple: he pointed out that in the "Commentary to Aratus" Hipparchus actually quotes the positions of numerous stars directly in right ascension and declination (or more often its complement, polar distance). Nearly two centuries later, in his "A History of Ancient Mathematical Astronomy", Neugebauer not only completely ignores Delambre's conclusion on this issue, but goes further to propose his own, as we shall see quite fanciful, theory that begins "From the Commentary to Aratus, it is quite obvious that at Hipparchus' time a definite system of spherical coordinates for stellar positions did not yet exist." and concludes "...nowhere in Greek astronomy before the catalogue of stars in the Almagest is it attested that orthogonal spherical coordinates are used to determine stellar positions." Today it is clear that Neugebauer's theory is conventionally accepted. It is the purpose of this paper to offer fresh arguments that Delambre was correct.

  7. International Space Exploration Coordination Group

    E-print Network

    International Space Exploration Coordination Group The Global Exploration Roadmap September 2011, and stimulating technical and commercial innovation. As more nations undertake space exploration activities agencies participating in the International Space Exploration Coordination Group (ISECG) are developing

  8. International Space Exploration Coordination Group

    E-print Network

    International Space Exploration Coordination Group The Global Exploration Roadmap September 2011 participating in the International Space Exploration Coordination Group (ISECG) are developing the Global. Agencies agree that human space exploration will be most successful as an international endeavor because

  9. GIS Lab 3 - Coordinate Systems

    NSDL National Science Digital Library

    Margaret McMillan

    Margaret E. (Beth) McMillan, University of Arkansas at Little Rock Summary I use this lab to reinforce the basic concepts of coordinate systems and to introduce the coordinate systems that are commonly used for ...

  10. LOCATION AWARENESS: EXPLORING SOCIAL COORDINATION

    E-print Network

    Toronto, University of

    LOCATION AWARENESS: EXPLORING SOCIAL COORDINATION by David Dearman Submitted in partial fulfillment 2006 © Copyright by David Dearman, 2006 #12;ii DALHOUSIE UNIVERSITY FACULTY OF COMPUTER SCIENCE a thesis entitled "LOCATION AWARENESS: EXPLORING SOCIAL COORDINATION" by David Dearman in partial

  11. Solvent for urethane adhesives and coatings and method of use

    Microsoft Academic Search

    Ronald F. Simandl; John D. Brown; Jerrid S. Holt

    2010-01-01

    A solvent for urethane adhesives and coatings, the solvent having a carbaldehyde and a cyclic amide as constituents. In some embodiments the solvent consists only of miscible constituents. In some embodiments the carbaldehyde is benzaldehyde and in some embodiments the cyclic amide is N-methylpyrrolidone (M-pyrole). An extender may be added to the solvent. In some embodiments the extender is miscible

  12. Cerebral impairment in chronic solvent-induced encephalopathy

    Microsoft Academic Search

    Ieke Visser; Cristina Lavini; Jan Booij; Liesbeth Reneman; Charles Majoie; Elizabeth M. Wekking; Elisabeth A. de Joode; Gert van der Laan; Frank J. H. van Dijk; Aart H. Schene; Gerard J. Den Heeten

    2008-01-01

    Objective: Worldwide, many workers experience occupational exposure to organic solvents, which may induce chronic solvent- induced encephalopathy (CSE). Disturbances within the frontostriatothalamic (FST) circuitry might explain the symptomatology of CSE. We tested the hypothesis of FST circuitry abnormalities in CSE, as well as associations with performance of psychomo- tor speed, attention, and solvent exposure. To detect preclinical, solvent-related effects, we

  13. Scale-up of recovery process for waste solvents

    SciTech Connect

    Bohnert, G.W.; Carey, D.A.

    1991-02-01

    Recycling of spent cleaning solvents, 1,1,1 trichloroethane, trichloroethylene, and trichlorotrifluoroethane at KCP was evaluated. Gas chromatography was used to identify stabilization levels in virgin and recycled solvent. Segregation, pretreatment and distillation processes were defined. Existing distillation equipment was modified and a solvent drying process was added. Recycled solvent quality of several production lots is also presented. 3 figs., 4 tabs.

  14. COMPUTER-AIDED SOLVENT DESIGN FOR POLLUTION PREVENTION: PARIS II

    EPA Science Inventory

    Solvent substitution is an attractive way of elijminating the use of regulated solvents because it usually does not require major chanages in existing processes, equipment or operations. Successful solvent substitution is dependent on finding solvents that are as effective or be...

  15. Coordination in Software Agent Systems

    Microsoft Academic Search

    Hyacinth Nwana; Lyndon Lee; Nick Jennings

    1996-01-01

    this paper is to examine the crucial area of co-ordination in multi-agent systems. It does not attempt toprovide a comprehensive overview of the co-ordination literature; rather, it highlights the necessity for co-ordination inagent systems and overviews briefly various co-ordination techniques. It critiques these techniques and presents someconclusions and challenges drawn from this literature.1. IntroductionThe scope of this paper is limited

  16. On deriving nonreflecting boundary conditions in generalized curvilinear coordinates

    E-print Network

    Adrian Sescu

    2015-01-20

    In this work, nonreflecting boundary conditions in generalized three-dimensional curvilinear coordinates are derived, relying on the original analysis that was done in Cartesian two-dimensional coordinates by Giles (AIAA Journal, 28.12, 2050-2058, 1990). A thorough Fourier analysis of the linearized Euler equation is performed to determine the eigenvalues and the eigenvectors that are then used to derive the appropriate inflow and outflow boundary conditions. The analysis lacks rigorous proof of the well-posedness in the general case, which is open to investigation (a weak assumption is introduced here to complete the boundary conditions). The boundary conditions derived here are not tested on specific applications.

  17. Student Leadership Program Coordinator Application

    E-print Network

    Sheridan, Jennifer

    Student Leadership Program Coordinator Application Summer 2012 ­ Spring 2013 Please direct all (Preferable Start Date 7/1) ____ Leadership Events and Training Program Coordinator (Preferable Start Date 7 leadership skills do you hope to strengthen from a Student Leadership Program Coordinator position? 2

  18. Incremental coordination in collaborative networks

    Microsoft Academic Search

    Alexander Fridman; Olga Fridman

    2010-01-01

    We developed an incremental coordination technique for collaborative networks based on necessary and sufficient coordinability conditions that we proposed earlier for locally controlled hierarchies of dynamic systems. Efficiency of the technique is illustrated by mathematical modelling of a two-level control system for a network of linear objects. The modelling has proved that usage of local control and coordination widens the

  19. Elucidation of the structure of organic solutions in solvent extraction by combining molecular dynamics and X-ray scattering.

    PubMed

    Ferru, Geoffroy; Gomes Rodrigues, Donatien; Berthon, Laurence; Diat, Olivier; Bauduin, Pierre; Guilbaud, Philippe

    2014-05-19

    Knowledge of the supramolecular structure of the organic phase containing amphiphilic ligand molecules is mandatory for full comprehension of ionic separation during solvent extraction. Existing structural models are based on simple geometric aggregates, but no consensus exists on the interaction potentials. Herein, we show that molecular dynamics crossed with scattering techniques offers key insight into the complex fluid involving weak interactions without any long-range ordering. Two systems containing mono- or diamide extractants in heptane and contacted with an aqueous phase were selected as examples to demonstrate the advantages of coupling the two approaches for furthering fundamental studies on solvent extraction. PMID:24729509

  20. Chlorinated solvent replacements recycle/recovery review report

    SciTech Connect

    Beal, M.; Hsu, D.; McAtee, R.E.; Weidner, J.R. (EG and G Idaho, Inc., Idaho Falls, ID (United States)); Berg, L.; McCandless, F.P.; Waltari, S.; Peterson, C. (Montana State Univ., Bozeman, MT (United States). Dept. of Chemical Engineering)

    1992-08-01

    This report is a literature review of waste solvents recycle/recovery methods and shows the results of solvent separations using membrane and distillation technologies. The experimental solvent recovery methods were conducted on solvent replacements for chlorinated solvents at Montana State University. The literature review covers waste solvents separation using distillation, membranes decantation, filtration, carbon adsorption, solvent extraction, and other vapor-phase separation techniques. The results of this study identify solvent distillation methods as the most common separation technique. The alternative separation methods typically supplement distillation. The study shows the need for industries to identify waste solvent disposal methods and investigate the economics of waste solvent recycling as a possible waste reduction method.

  1. Occupational exposure to solvents and male infertility

    PubMed Central

    Cherry, N; Labreche, F; Collins, J; Tulandi, T

    2001-01-01

    OBJECTIVES—To determine whether, in a case-referent study of infertility patients, cases with low motile sperm count were more likely than referents to have had exposure to organic solvents.?METHODS—Occupations of men attending fertility clinics in Canada were assigned codes reflecting probable exposure to organic solvents, at four grades of intensity, using a job exposure matrix previously developed. A case referent design was used, with cases being defined as men with <12×106/ml motile sperm. Information from 656 men in manual work attending a single clinic in Montreal in 1972-91 was used for the main study. A separate analysis was conducted with information for 574 men in manual work attending 10 further clinics across Canada in 1984-7.?RESULTS—In the Montreal series a significant association was found between intensity of exposure to solvents and clinical findings of <12×106/ml motile sperm. Odds ratios (ORs), after allowing for confounding, were 2.07 (95% confidence interval (95% CI) 1.24 to 3.44) for moderate exposure to solvents and 3.83 (95% CI 1.37 to 10.65) for high exposure. In the second series of 568 men, the effect was confirmed at high exposure to solvents (OR 2.90, 95% CI 1.01 to 8.34) but not at moderate exposure (OR 1.01, 95% CI 0.53 to 1.92).?CONCLUSIONS—Exposure to organic solvents is common both at work and in recreational pursuits. The results of this study suggest that efforts should be made to identify the compounds hazardous to male fertility, and if the risk is confirmed, to regulate their use.???Keywords: infertility; solvents; male manual workers PMID:11555684

  2. Ecole Polytechnique LIX Weak Relative

    E-print Network

    Giacobazzi, Roberto

    ' Ecole Polytechnique LIX Weak Relative Pseudo­Complements of Closure Operators Roberto Giacobazzi Catuscia Palamidessi Francesco Ranzato LIX/RR/95/04 Laboratoire d'Informatique Unit'e CNRS n. 1439 #12; Technical Report LIX/RR/95/04 1 Weak Relative Pseudo­Complements of Closure Operators Roberto Giacobazzi

  3. Licensing "Weak" Patents David Encaoua

    E-print Network

    Paris-Sud XI, Université de

    Licensing "Weak" Patents David Encaoua and Yassine Lefouili This Version: May 2009 Abstract In this paper, we revisit the issue of licensing "weak" patents under the shadow of litigation. Departing from industry. It is shown that the optimal two-part tariff license from the patent holder's perspective may

  4. WORKING CONFERENCE ON WEAK INTERACTIONS

    Microsoft Academic Search

    Belyaev

    1963-01-01

    In December 1962 a conference on weak interactions was held at the ; Laboratory for Theoretical Physics of the Joint Institute for Nuclear ; Investigations. One of the problems discussed was the effect of the form factor ; in weak interactions, in particular in hyperon and K-meson decays and in the v + ; N ons in pyrolyti N +

  5. 40 CFR Table 3 to Subpart Mmmm of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2012-07-01 true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart MMMM of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  6. 40 CFR Table 3 to Subpart Pppp of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2012-07-01 true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart PPPP of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  7. 40 CFR Table 3 to Subpart Pppp of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart PPPP of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  8. 40 CFR Table 4 to Subpart Oooo of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart OOOO of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  9. 40 CFR Table 6 to Subpart Kkkk of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2014 CFR

    2014-07-01

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  10. 40 CFR Table 3 to Subpart Nnnn of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2014 CFR

    2014-07-01

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  11. 40 CFR Table 4 to Subpart Oooo of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2012-07-01 true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart OOOO of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  12. 40 CFR Table 3 to Subpart Mmmm of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart MMMM of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  13. 40 CFR Table 3 to Subpart IIIi of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart IIII of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  14. 40 CFR Table 5 to Subpart Qqqq of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart QQQQ of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  15. 40 CFR Table 5 to Subpart Qqqq of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart QQQQ of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  16. 40 CFR Table 3 to Subpart Rrrr of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart RRRR of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  17. 40 CFR Table 4 to Subpart Oooo of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart OOOO of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  18. 40 CFR Table 3 to Subpart Pppp of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...2014-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart PPPP of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  19. 40 CFR Table 3 to Subpart Nnnn of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart NNNN of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  20. 40 CFR Table 6 to Subpart Kkkk of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart KKKK of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  1. 40 CFR Table 3 to Subpart Mmmm of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...2012-07-01 false Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart MMMM of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  2. 40 CFR Table 6 to Subpart Kkkk of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2012-07-01 true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart KKKK of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  3. 40 CFR Table 3 to Subpart IIIi of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2012-07-01 true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart IIII of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  4. 40 CFR Table 5 to Subpart Qqqq of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2012-07-01 true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart QQQQ of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  5. 40 CFR Table 3 to Subpart IIIi of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2014 CFR

    2014-07-01

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  6. 40 CFR Table 3 to Subpart Rrrr of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2012-07-01 true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart RRRR of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  7. 40 CFR Table 3 to Subpart Nnnn of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...2012-07-01 true Default Organic HAP Mass Fraction for Solvents and Solvent Blends...Subpart NNNN of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the following...

  8. 40 CFR Table 3 to Subpart Rrrr of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2012 CFR

    2012-07-01

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  9. Solvent/Non-Solvent Sintering: A Novel Route to Create Porous Microsphere Scaffolds For Tissue Regeneration

    PubMed Central

    Brown, Justin L.; Nair, Lakshmi S.; Laurencin, Cato T.

    2009-01-01

    Solvent/non-solvent sintering creates porous polymeric microsphere scaffolds suitable for tissue engineering purposes with control over the resulting porosity, average pore diameter and mechanical properties. Five different biodegradable biocompatible polyphosphazenes exhibiting glass transition temperatures from ?8°C to 41oC and poly(lactide-co-glycolide), (PLAGA) a degradable polymer used in a number of biomedical settings, were examined to study the versatility of the process and benchmark the process to heat sintering. Parameters such as: solvent/non-solvent sintering solution composition and submersion time effect the sintering process. PLAGA microsphere scaffolds fabricated with solvent/non-solvent sintering exhibited an interconnected porosity and pore size of 31.9% and 179.1µm respectively which was analogous to that of conventional heat sintered PLAGA microsphere scaffolds. Biodegradable polyphosphazene microsphere scaffolds exhibited a maximum interconnected porosity of 37.6% and a maximum compressive modulus of 94.3MPa. Solvent/non-solvent sintering is an effective strategy for sintering polymeric microspheres, with a broad spectrum of glass transition temperatures, under ambient conditions making it an excellent fabrication route for developing tissue engineering scaffolds and drug delivery vehicles. PMID:18161819

  10. Agregao em solventes no aquosos Anfifilicidade vs. Liofobicidade solventes de alta energia

    E-print Network

    Loh, Watson

    Agregação em solventes não aquosos Anfifilicidade vs. Liofobicidade ­ solventes de alta energia coesiva Parâmetro de Gordon = / (Vm)1/3 (valores entre 2,7 e 1,3 J m-3) Não há evidências de agregação em) ­ micelas unimoleculares Micela/Agregado ­ micela significa agregados estáveis/constantes em uma faixa de

  11. Tracking Solvent Uptake in Block Polymer Thin Films during Solvent Vapor Annealing

    NASA Astrophysics Data System (ADS)

    Shelton, Cameron; Jones, Ronald; Dura, Joseph; Epps, Thomas

    2015-03-01

    A key goal in the block polymer (BP) thin films community is the design of a template-free, universal annealing method to control nanoscale self-assembly over large length scales. Solvent vapor annealing (SVA) offers a unique solution to this challenge with its ability to tune substrate surface, free surface, and polymer-polymer interactions by exposing films to appropriate solvents. However, there is little understanding of how the solvent behaves during the SVA process. In this work, we utilized the combination of deuterated solvents with small-angle neutron scattering (SANS) and neutron reflectometry to track solvent uptake in poly(styrene-b-isoprene-b-styrene) thin films. Two solvents were chosen for this analysis: d-hexane (isoprene selective) and d-benzene (styrene selective). Our work has shown that solvent choice and partial pressure have a significant impact on how solvent segregates within individual polymer domains and the film as a whole, directly impacting the restructuring of polymer domains. This work provides further understanding of the mechanism behind SVA, thereby making it easier to select appropriate conditions for desired self-assembly control.

  12. Solvent response of mixed polymer brushes

    NASA Astrophysics Data System (ADS)

    Gong, Kai; Chapman, Walter G.

    2011-12-01

    We have performed classical density functional theory calculations to study the behavior of mixed polymer brushes tethered to a planar surface. We assume no lateral segregation of the polymer at the grafting density studied and consider an implicit solvent. For a binary mixture of short and long athermal polymer chains, the short chain is compressed while the long chain is stretched compared with corresponding pure polymer chains at the same grafting density, which is consistent with simulation. This results from configurational entropy effects. Furthermore, we add a mean-field interaction for each polymer brush to simulate their different response towards a solvent. The long chain is forced to dislike the solvent more than the short chain. Through the interplay between the solvent effects and configurational entropy effects, a switch of the polymer brush surface (or outer) layer is found with increasing chain length of the long chain. The transition chain length (long chain) increases with increasing the solvent selectivity, and decreases with increasing the grafting density of the long chain. These results can provide guidance for the design of smart materials based on mixed polymer brushes.

  13. Solvent gating of intramolecular electron transfer

    SciTech Connect

    Miller, R.M. (California State Univ., Chico, CA (United States)); Spears, K.G.; Gong, J.H.; Wach, M. (Northwestern Univ., Evanston, IL (United States))

    1994-02-03

    The rates for ionic photodissociation of malachite green leucocyanide to form cyanide ion and a malachite green carbonium ion were measured as a function of solvent and temperature. The observed rates in mixtures of polar and nonpolar solvents all had an activation energy of about 1 kcal/mol for a wide range of dielectric constants. This dissociative intramolecular electron transfer (DIET) is unusual because it is the first example where solvent configurational entropy changes are required to enable a large amplitude molecular distortion leading to a nonadiabatic electron transfer and ionic dissociation. This solvent gated intramolecular electron-transfer mechanism is supported by analysis of the preexponential and activation energy trends in dipolar aprotic solven mixtures and alcohol solvents. The large amplitude motion is not separately measurable due to the slow gating rates, but viscosity effects on both the preexponential and the activation energy are analyzed to demonstrate consistency with a barrierless diffusion model having a structural dependence on electron-transfer rate. The rate has an inverse dependence on viscosity raised to the 0.53 power. 36 refs., 6 figs., 4 tabs.

  14. Solvent extraction of phenols from water

    SciTech Connect

    Greminger, D.C.; Burns, G.P.; Lynn, S.; Hanson, D.H.; King, C.J.

    1980-02-01

    Methyl isobutyl ketone (MIBK) and diisopropyl ether (DIPE) have been evaluated as solvents for extraction of phenols, at high dilution, from water. Equilibrium distribution coefficients (K/sub D/) have been measured for phenol, dihydroxybenzenes and trihydroxybenzenes in both solvents as a function of pH. Particularly for the multihydric phenols, MIBK gives substantially higher values of K/sub D/ than does DIPE. The effect of pH can be described quantitatively through a simple ionization model, using published values of dissociation constants for the various phenols. Some method for removal of residual dissolved solvent must ordinarily be included in any extraction process for phenols. Possibilities include atmospheric-steam or inert-gas stripping, vacuum-steam stripping, and extraction with a second solvent. Vacuum-steam stripping is a particularly attractive choice for removal of MIBK; this reinforces the utility of MIBK as a solvent. The optimal temperature for vacuum stripping is generally the temperature of the extraction operation, which in turn is related to the effect of temperature on K/sub D/. Values of K/sub D/ for phenol-water-MIBK were determined at 30, 50, and 75/sup 0/C, and were found to decrease with increasing temperature at all concentrations.

  15. Non-aqueous cleaning solvent substitution

    SciTech Connect

    Meier, G.J.

    1994-01-01

    A variety of environmental, safety, and health concerns exist over use of chlorinated and fluorinated cleaning solvents. Sandia National Laboratories, Lawrence Livermore National Laboratories, and the Kansas City Division of Allied Signal have combined efforts to focus on finding alternative cleaning solvents and processes which are effective, environmentally safe, and compliant with local, state, and federal regulations. An alternative solvent has been identified, qualified, and implemented into production of complex electronic assemblies, where aqueous and semi-aqueous cleaning processes are not allowed. Extensive compatibility studies were performed with components, piece-parts, and materials. Electrical testing and accelerated aging were used to screen for detrimental, long-term effects. A terpene, d-limonene, has been selected as the solvent of choice, and has been found to be compatible with the components and materials tested. A brief history of the overall project will be presented, along with representative cleaning efficiency results, compatibility results, and residual solvent data. The electronics industry is constantly searching for proven methods and environmentally safe materials to use in manufacturing processes. The information in this presentation will provide another option to consider on future projects for applications requiring high levels of quality, reliability, and cleanliness from non-aqueous cleaning processes.

  16. Non-aqueous cleaning solvent substitution

    NASA Technical Reports Server (NTRS)

    Meier, Gerald J.

    1994-01-01

    A variety of environmental, safety, and health concerns exist over use of chlorinated and fluorinated cleaning solvents. Sandia National Laboratories, Lawrence Livermore National Laboratories, and the Kansas City Division of AlliedSignal have combined efforts to focus on finding alternative cleaning solvents and processes which are effective, environmentally safe, and compliant with local, state, and federal regulations. An alternative solvent has been identified, qualified, and implemented into production of complex electronic assemblies, where aqueous and semi-aqueous cleaning processes are not allowed. Extensive compatibility studies were performed with components, piece-parts, and materials. Electrical testing and accelerated aging were used to screen for detrimental, long-term effects. A terpene, d-limonene, was selected as the solvent of choice, and it was found to be compatible with the components and materials tested. A brief history of the overall project will be presented, along with representative cleaning efficiency results, compatibility results, and residual solvent data. The electronics industry is constantly searching for proven methods and environmentally-safe materials to use in manufacturing processes. The information in this presentation will provide another option to consider on future projects for applications requiring high levels of quality, reliability, and cleanliness from non-aqueous cleaning processes.

  17. Cobalt(II) chloride complexes with 1,1'-dimethyl-4,4'-bipyrazole featuring first- and second-sphere coordination of the ligand.

    PubMed

    Domasevitch, Konstantin V

    2014-03-01

    In catena-poly[[dichloridocobalt(II)]-?-(1,1'-dimethyl-4,4'-bipyrazole-?(2)N(2):N(2'))], [CoCl2(C8H10N4)]n, (1), two independent bipyrazole ligands (Me2bpz) are situated across centres of inversion and in tetraaquabis(1,1'-dimethyl-4,4'-bipyrazole-?N(2))cobalt(II) dichloride-1,1'-dimethyl-4,4'-bipyrazole-water (1/2/2), [Co(C8H10N4)2(H2O)4]Cl2·2C8H10N4·2H2O, (2), the Co(2+) cation lies on an inversion centre and two noncoordinated Me2bpz molecules are also situated across centres of inversion. The compounds are the first complexes involving N,N'-disubstituted 4,4'-bipyrazole tectons. They reveal a relatively poor coordination ability of the ligand, resulting in a Co-pyrazole coordination ratio of only 1:2. Compound (1) adopts a zigzag chain structure with bitopic Me2bpz links between tetrahedral Co(II) ions. Interchain interactions occur by means of very weak C-H...Cl hydrogen bonding. Complex (2) comprises discrete octahedral trans-[Co(Me2bpz)2(H2O)4](2+) cations formed by monodentate Me2bpz ligands. Two equivalents of additional noncoordinated Me2bpz tectons are important as `second-sphere ligands' connecting the cations by means of relatively strong O-H...N hydrogen bonding with generation of doubly interpenetrated pcu (?-Po) frameworks. Noncoordinated chloride anions and solvent water molecules afford hydrogen-bonded [(Cl(-))2(H2O)2] rhombs, which establish topological links between the above frameworks, producing a rare eight-coordinated uninodal net of {4(24).5.6(3)} (ilc) topology. PMID:24594715

  18. Solvent-type-dependent polymorphism and charge transport in a long fused-ring organic semiconductor.

    PubMed

    Chen, Jihua; Shao, Ming; Xiao, Kai; Rondinone, Adam J; Loo, Yueh-Lin; Kent, Paul R C; Sumpter, Bobby G; Li, Dawen; Keum, Jong K; Diemer, Peter J; Anthony, John E; Jurchescu, Oana D; Huang, Jingsong

    2014-01-01

    Crystalline polymorphism of organic semiconductors is among the critical factors in determining the structure and properties of the resultant organic electronic devices. Herein we report for the first time a solvent-type-dependent polymorphism of a long fused-ring organic semiconductor and its crucial effects on charge transport. A new polymorph of 5,11-bis(triethylsilylethynyl)anthradithiophene (TES ADT) is obtained using solvent-assisted crystallization, and the crystalline polymorphism of TES ADT thin films is correlated with their measured hole mobilities. The best-performing organic thin film transistors of the two TES ADT polymorphs show subthreshold slopes close to 1 V dec(-1), and threshold voltages close to zero, indicating that the density of traps at the semiconductor-dielectric interface is negligible in these devices and the observed up to 10-fold differences in hole mobilities of devices fabricated with different solvents are largely resultant from the presence of two TES ADT polymorphs. Moreover, our results suggest that the best-performing TES ADT devices reported in the literature correspond to the new polymorph identified in this study, which involves crystallization from a weakly polar solvent (such as toluene and chloroform). PMID:24217182

  19. How the quantum efficiency of a highly emissive binuclear copper complex is enhanced by changing the processing solvent.

    PubMed

    Volz, Daniel; Nieger, Martin; Friedrichs, Jana; Baumann, Thomas; Bräse, Stefan

    2013-03-01

    Polymorphism is often linked to the choice of processing solvents. Packing effects or the preference of one certain conformer as possible causes of this phenomenon are strongly dependent on solvents and especially on their polarity. Even in amorphous solids, the microstructure can be controlled by the choice of solvents. Polymorphs or amorphous solids featuring different packing densities can exhibit different properties in terms of stability or optical effects. The influence of these effects on a binuclear, strongly luminescent copper(I) complex was investigated. Many possible applications for luminescent, amorphous coordination compounds, such as organic light-emitting diodes, sensors, and organic lasers, rely on photophysical properties like quantum efficiency to be repeatable. The effect of processing solvents in this context is often underestimated, but very relevant for utilization in device manufacturing and should therefore be understood more deeply. In this work, theoretical derivations, DFT calculations, X-ray-diffraction, photoluminescence spectroscopy, and the time-dependent single-photon-counting-technique (TDSPC) were used to understand this phenomenon more deeply. The influence of five different solvents on Cu2I2(MePyrPHOS)3 was probed. This resulted in a modulation of the photoluminescence quantum yield ? between 0.5 and 0.9 in amorphous solid state. A new polymorph of the material with slightly reduced values for ? has been identified. The reduced efficiency could be correlated with a higher porosity and a reduced packing density. Dense packing reduces nonradiative decay by geometrical fixation and thus increases the quantum efficiency. The existence of similar effects on aluminum and iridium compounds has been confirmed by application of different processing solvents on Alq3 and Ir(ppy)3. These results show that a tuning of the efficiency of a emissive metal complexes by choosing a proper processing solvent is possible. If highly efficient materials for practical applications are desired, an evaluation of multiple solvents has to be considered. PMID:23373754

  20. Hazardous Solvent Substitution Data System tutorial

    SciTech Connect

    Twitchell, K.E.; Skinner, N.L.

    1993-07-01

    This manual is the tutorial for the Hazardous Solvent Substitution Data System (HSSDS), an online, comprehensive system of information on alternatives to hazardous solvents and related subjects. The HSSDS data base contains product information, material safety data sheets, toxicity reports, usage reports, biodegradable data, product chemical element lists, and background information on solvents. HSSDS use TOPIC{reg_sign} to search for information based on a query defined by the user. TOPIC provides a full text retrieval of unstructured source documents. In this tutorial, a series of lessons is provided that guides the user through basic steps common to most queries performed with HSSDS. Instructions are provided for both window-based and character-based applications.

  1. THE DEVELOPMENT OF INTERLIMB COORDINATION DURING SWIMMING IN POSTNATAL RATS

    Microsoft Academic Search

    ANNE BEKOFF; WILLIAM TRAINER

    1979-01-01

    SUMMARY The postnatal ontogeny of interlimb co-ordination was studied in rats from day 1 after birth to day 22. Swimming rather than walking was studied in order to minimize any effect of weak limb muscles in very young rats. Videotape records of swimming were analysed on a frame-by-frame basis to determine stroke cycle duration for individual limbs and interlimb latency

  2. Conformal Fermi Coordinates

    E-print Network

    Liang Dai; Enrico Pajer; Fabian Schmidt

    2015-04-14

    Fermi Normal Coordinates (FNC) are a useful frame for isolating the locally observable, physical effects of a long-wavelength spacetime perturbation. Their cosmological application, however, is hampered by the fact that they are only valid on scales much smaller than the horizon. We introduce a generalization that we call Conformal Fermi Coordinates (CFC). CFC preserve all the advantages of FNC, but in addition are valid outside the horizon. They allow us to calculate the coupling of long- and short-wavelength modes on all scales larger than the sound horizon of the cosmological fluid, starting from the epoch of inflation until today, by removing the complications of the second order Einstein equations to a large extent, and eliminating all gauge ambiguities. As an application, we present a calculation of the effect of long-wavelength tensor modes on small scale density fluctuations. We recover previous results, but clarify the physical content of the individual contributions in terms of locally measurable effects and "projection" terms.

  3. Conserve Energy: Modernize Your Solvent Deasphalting Unit 

    E-print Network

    Lambert, J. S.; Gleitsmann, J. W.

    1983-01-01

    -wide. DEASPHALTlNG The deasphalting process LS a solvent extraction operation. Historically(l), propane has been the principal solvent used commercially, but several units have used mixtures of propane and butane. Propane, butane, pentane, hexane, and heavier... 900 Con. Carbo Res., Wt , 17.6 10.8 11.4 Ni + V Metal, ppm Wt. n 18.4 2:5.3 i\\sphalt Asphalt ~ Preper ties: specific Gravity, 60 o p/60oF 1.165 1.114 Softening Point, R & S, Op )60 235 (1) Deasphalted Oil ALTERNATE USES OF DAO...

  4. Solvent-resistant microporous polymide membranes

    DOEpatents

    Miller, W.K.; McCray, S.B.; Friesen, D.T.

    1998-03-10

    An asymmetric microporous membrane with exceptional solvent resistance and highly desirable permeability is disclosed. The membrane is made by a solution-casting or solution-spinning process from a copolyamic acid comprising the condensation reaction product in a solvent of at least three reactants selected from certain diamines and dianhydrides and post-treated to imidize and in some cases cross-link the copolyamic acid. The membrane is useful as an uncoated membrane for ultrafiltration, microfiltration, and membrane contactor applications, or may be used as a support for a permselective coating to form a composite membrane useful in gas separations, reverse osmosis, nanofiltration, pervaporation, or vapor permeation.

  5. Solvent-resistant microporous polymide membranes

    DOEpatents

    Miller, Warren K. (Bend, OR); McCray, Scott B. (Bend, OR); Friesen, Dwayne T. (Bend, OR)

    1998-01-01

    An asymmetric microporous membrane with exceptional solvent resistance and highly desirable permeability is disclosed. The membrane is made by a solution-casting or solution-spinning process from a copolyamic acid comprising the condensation reaction product in a solvent of at least three reactants selected from certain diamines and dianhydrides and post-treated to imidize and in some cases cross-link the copolyamic acid. The membrane is useful as an uncoated membrane for ultrafiltration, microfiltration, and membrane contactor applications, or may be used as a support for a permselective coating to form a composite membrane useful in gas separations, reverse osmosis, nanofiltration, pervaporation, or vapor permeation.

  6. Incorporation of the TIP4P water model into a continuum solvent for computing solvation free energy

    NASA Astrophysics Data System (ADS)

    Yang, Pei-Kun

    2014-10-01

    The continuum solvent model is one of the commonly used strategies to compute solvation free energy especially for large-scale conformational transitions such as protein folding or to calculate the binding affinity of protein-protein/ligand interactions. However, the dielectric polarization for computing solvation free energy from the continuum solvent is different than that obtained from molecular dynamic simulations. To mimic the dielectric polarization surrounding a solute in molecular dynamic simulations, the first-shell water molecules was modeled using a charge distribution of TIP4P in a hard sphere; the time-averaged charge distribution from the first-shell water molecules were estimated based on the coordination number of the solute, and the orientation distribution of the first-shell waters and the intermediate water molecules were treated as that of a bulk solvent. Based on this strategy, an equation describing the solvation free energy of ions was derived.

  7. Solvent effects on the catalytic activity of subtilisin suspended in organic solvents

    SciTech Connect

    Correa de Sampaio, T.; Melo, R.B.; Moura, T.F.; Michel, S.; Barreiros, S. [Univ. Nova de Lisboa, Oeiras (Portugal). Inst. de Tecnologia Quimica e Biologica] [Univ. Nova de Lisboa, Oeiras (Portugal). Inst. de Tecnologia Quimica e Biologica

    1996-05-05

    The authors studied a model transesterification reaction catalyzed by subtilisin Carlsberg suspended in toluene, n-hexane, diisopropyl ether, and mixtures of these solvents. To account for solvent effects due to differences in water partitioning between the enzyme and the bulk solvents, the authors measured water sorption isotherms for the enzyme in each solvent. They measured catalytic activity as a function of enzyme hydration and obtained bell-shaped curves with maxima at the same enzyme hydration in all the solvents. However, the activity maxima were different in all the media, being the lowest in toluene. Differences in the partitioning of substrates and product between the bulk solvent phase and the enzyme active site were accounted for but could not explain the lower catalytic activity observed in toluene. The fact that toluene is very similar to one of the substrates suggested the possibility of competitive inhibition by this solvent. The authors derived a model allowing for differences in solvation of the substrates, by using thermodynamic activities instead of concentrations, as well as for competitive inhibition by toluene. The model fit the experimental data well, confirming that toluene had a direct adverse effect on the catalytic activity of the enzyme.

  8. Factors affecting high-pressure solvent extraction (accelerated solvent extraction) of additives from polymers.

    PubMed

    Vandenburg, H J; Clifford, A A; Bartle, K D; Zhu, S A; Carroll, J; Newton, I D; Garden, L M

    1998-05-01

    Irganox 1010 (pentaerythritol tetrakis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)] propionate) is successfully extracted from polypropylene using solvents at high temperatures and pressures in a homemade accelerated solvent extraction system. For example, using freeze-ground polymer, 90% extraction is possible within 5 min with 2-propanol at 150 °C. Extraction curves for 2-propanol and acetone fit well to the "hot ball" model, previously developed for supercritical fluid extraction. Diffusion coefficients are determined for extractions with 2-propanol, acetone, and cyclohexane over a range of temperatures, and the activation energies for the diffusion are 134, 107, and 61 kJ mol(-)(1), respectively. The lower figure for acetone and cyclohexane indicates that these solvents swell the polymer more than does 2-propanol. The polymer dissolves in the solvent at too high a temperature, which causes blockage of the transfer lines. For maximum extraction rates, the highest temperature for each solvent that avoids dissolution of the polymer should be used. The use of mixed solvents is investigated and shows advantages in some cases, with the aim of producing a solvent that will swell the polymer but not dissolve it. PMID:21651286

  9. On a new coordinate system with astrophysical application: Spiral coordinates

    NASA Astrophysics Data System (ADS)

    Campos, L. M. B. C.; Gil, P. J. S.

    In this presentation are introduced spiral coordinates, which are a particular case of conformal coordinates, i.e. orthogonal curvelinear coordinates with equal factors along all coordinate axis. The spiral coordinates in the plane have as coordinate curves two families of logarithmic spirals, making a constant angle, respectively phi and pi / 2-phi, with all radial lines, where phi is a parameter. They can be obtained from a complex function, representing a spiral potential flow, due to the superposition of a source/sink with a vortex; the parameter phi in this case specifies the ratio of the ass flux of source/sink to the circulation of the vortex. Regardless of hydrodynamical or other interpretations, spiral coordinates are particulary convenient in situation where physical quantities vary only along a logarithmicspiral. The example chosen is the propagation of Alfven waves along a logarithmic spiral, as an approximation to Parker's spiral. The equation of dissipative MHD are written in spiral coordinates, and eliminated to specify the Alfven wave equation in spiral coordinates; the latter is solved exactly in terms of Bessel functions, and the results analyzed for values of the parameters corresponding to the solar wind.

  10. Framework-structured weak ferromagnets.

    PubMed

    Weng, Dan-Feng; Wang, Zhe-Ming; Gao, Song

    2011-06-01

    Framework-structured weak ferromagnets are new rising stars in molecule-based magnetic materials. The framework structures are powerful carriers for long-range ordering of spins. And weak ferromagnetism due to spin canting is an effective approach for magnets because of its frequent occurrence and desired spontaneous magnetization as long as the canting angle ? is large enough. In this critical review, we provide an overview of the various framework-structured weak ferromagnets based on different grades of ligands (from mono-atom to three-atom-like ligands). Particular emphasis is given to the relationships between structural features and the properties, rational employment of the ligands, and weak ferromagnetic strategies for molecule-based magnets with exciting properties and applications (273 references). PMID:21283846

  11. Weak interactions and presupernova evolution

    SciTech Connect

    Aufderheide, M.B. (Lawrence Livermore National Lab., CA (USA) State Univ. of New York (USA). Dept. of Physics)

    1991-02-19

    The role of weak interactions, particularly electron capture and {beta}{sup {minus}} decay, in presupernova evolution is discussed. The present uncertainty in these rates is examined and the possibility of improving the situation is addressed. 12 refs., 4 figs.

  12. Gas separation by composite solvent-swollen membranes

    DOEpatents

    Matson, Stephen L. (Harvard, MA); Lee, Eric K. L. (Acton, MA); Friesen, Dwayne T. (Bend, OR); Kelly, Donald J. (Bend, OR)

    1989-01-01

    There is disclosed a composite immobulized liquid membrane of a solvent-swollen polymer and a microporous organic or inorganic support, the solvent being at least one highly polar solvent containing at least one nitrogen, oxygen, phosphorous or sulfur atom, and having a boiling point of at least 100.degree. C. and a specified solubility parameter. The solvent or solvent mixture is homogeneously distributed through the solvent-swollen polymer from 20% to 95% by weight. The membrane is suitable for acid gas scrubbing and oxygen/nitrogen separation.

  13. DEGRADED TBP SOLVENT REGENERATION TECHNOLOGY USING BUTYLAMINE AS A SOLVENT WASHING TO REDUCE SOLID SALT WASTE

    SciTech Connect

    Asakura, T.; Itoh, Y.; Hotoku, S.; Morita, Y.; Uchiyama, G.

    2003-02-27

    Normal butylamine compounds are studied as salt-free wash reagents for degraded solvent used in PUREX process in spent fuel reprocessing. The solvent wash tests were carried out with two types of butylamine compounds, n-butylamine oxalate and n-butylamine bicarbonate, by counter-current mode using a small size mixer-settler composed of two 4-stage wash steps. Di-n-butyl phosphoric acid (HDBP), the main degradation product from TBP, was removed from real degraded solvent with decontamination factor of 2.5 {approx} 7.9. The study on electrolytic decomposition of butylamine compounds was also conducted for waste treatment.

  14. Entanglement-assisted weak measurement

    NASA Astrophysics Data System (ADS)

    Pang, Shengshi; Dressel, Justin; Brun, Todd A.

    2015-03-01

    Postselected weak measurement with a large measurement can amplify small coupling parameters. However, a major shortcoming is that the postselection probability is usually very low when the amplification is large, which means an enormous amount of resources is necessary. So, how to increase the postselection probability is an important problem in practical application of weak measurement. In this work, we study the optimization of weak measurement and propose an entanglement-assisted protocol for it. We start from maximizing the postselection probability with a given weak value. The result shows the maximum postselection probability is proportional to the variance of the observable under the initial state of the system. As is know that the variance has different scaling under entangled or uncorrelated states, it inspired us to show using entanglement in the initial state of the system can increase the postselection efficiency beyond that with sequential use of systems. With this result, we further find the Fisher information of weak measurement can approximately reach the Heisenberg limit with the assistance of entanglement. Finally, we give simple quantum circuits for the implementation of this protocol with qubits, including initialization, weak interaction and postselection. This research was partially supported by the ARO MURI Grant No. W911NF-11-1- 0268. S. P. and T. A. B. also acknowledge the support from NSF Grant No. CCF-0829870, while J. D. acknowledges support from IARPA/ARO Grant No. W91NF-10-1-0334.

  15. Organic solvent nanofiltration: prospects and application

    NASA Astrophysics Data System (ADS)

    Volkov, A. V.; Korneeva, G. A.; Tereshchenko, Gennadii F.

    2008-11-01

    The key lines of research in a new field of the membrane science and technology, viz., organic solvent nanofiltration, are considered. The prospects for its use in chemical, petrochemical and food industries are discussed. Attention is focused on membranes developed for this method.

  16. New solvent improves acid job performance

    SciTech Connect

    Not Available

    1983-11-01

    Many major oil operators and chemical companies have worked to develop new additives for systems that combine demulsifying properties with other formulas to remove down-hole emulsion blocks and prevent acid-oil emulsions from occurring during well stimulation. While some surfactant properties exist in most acid additive systems, there has been only marginal success in developing an acid additive that possesses all of the qualities necessary to successfully treat and revive non-producing wells. Hydrochloric acid, demulsifiers, mutal solvents, and alcohol all possess qualities that may improve productivity or injectivity characteristics, but their success to date still leaves room for improvement. A 6-mo. lab and field study has demonstrated the effectiveness of a new micellar acid solvent that converts acids used in well cleaning and stimulation operations into a powerful, low-cost solvent. The combined detergent, wetting and solvent properties imparted by the chemical are discussed in this study. Case histories provide evidence of the additive's effectiveness when subjected to a variety of down-hole environments.

  17. Solvent dielectric effects on protein dynamics.

    PubMed Central

    Affleck, R; Haynes, C A; Clark, D S

    1992-01-01

    Electron paramagnetic resonance (EPR) spectroscopy and molecular dynamics (MD) simulations were used to investigate the dynamics of alpha-chymotrypsin in solvents ranging in dielectric constant from 72 to 1.9. EPR measurements showed that motions in the vicinity of two spin-labeled amino acids (Met-192 and Ser-195) decreased dramatically with decreasing solvent dielectric constant, a trend consistent with changes in the electrostatic force between charged residues of the protein. EPR results and MD simulations revealed a very similar functional dependence between rates of motion in the protein and the dielectric constant of the bulk solvent; however, predicted motions of protein atoms were markedly faster than measured motions of the spin labels. MD calculations for dielectric constants of 5 and 72 showed the greatest differences near the outer surface of the protein. In general, at the lower dielectric constant many atoms of the protein move more slowly, and many of the slowest residues are near the exterior. These results suggest that altered dynamics may contribute to the unusual properties--e.g., modified stereoselectivities--of enzymes in nearly dry organic solvents. Images PMID:1317584

  18. A permeable rotating-wheel solvent extractor

    NASA Technical Reports Server (NTRS)

    Kahn, D. R.; Nady, L. A.

    1972-01-01

    Column-type device reported employs circular permeable structures of wire mesh screen for extracting solvents from systems with low density differences and low interfacial tensions. Rotating screen wheels of structure fasten to shaft; stationary screen structures are supported by circular bands connected by radial metal arms.

  19. Structure and Solvent Properties of Microemulsions

    ERIC Educational Resources Information Center

    Katz, Civia A.; Calzola, Zachary J.; Mbindyo, Jeremiah K. N.

    2008-01-01

    A microscale laboratory experiment to investigate the formation and utility of microemulsions is described. Microemulsions are technologically important fluids that can reduce the use of toxic organic solvents. In the experiment, students prepare a microemulsion and compare the solubility of sudan III dye in the microemulsion and in dodecane. They…

  20. Solvents for Soluble Nitrogen Measurements in Feedstuffs

    Microsoft Academic Search

    B. A. Crooker; C. J. Sniffen; W. H. Hoover; L. L. Johnson

    1978-01-01

    An improved procedure and a new ex- traction apparatus for determining solu- ble nitrogen in feedstuffs are presented. This equipment was used to compare the quantity of nitrogen extracted from seven feedstuffs by several mineral solvents and autoclaved rumen fluid. The quantity of nitrogen extracted by either a modified Burroughs mineral mixture or McDougal's artificial saliva differed from that ex-

  1. ALTERNATIVE TECHNIQUES FOR MANAGING SOLVENT WASTES

    EPA Science Inventory

    There are economic and regulatory incentives for considering alternatives to the direct land disposal of solvent-bearing hazardous waste streams (EPA Hazardous Waste Codes: F001, F002, F003, F004, and F005). These alternatives include recycle/reuse (including use as a fuel substi...

  2. SOLVENT FREE CHEMICAL TRANSFORMATION USING MICROWAVE IRRADIATION

    EPA Science Inventory

    Microwave-expedited solvent-free synthetic processes will be described that involve the exposure of neat reactants to microwave (MW) irradiation in the presence of supported reagents or catalysts on mineral oxides. Recent developments will be presented on the synthetic utility o...

  3. Anomalous solvent extraction behavior of astatine

    Microsoft Academic Search

    N. Takahashi; H. Baba

    1997-01-01

    We studied the solvent extraction behavior of astatine and found the anomalous behavior of this element similar to radioiodine. Astatine was extracted into CS2 from acidic solution over a wide range of carrier iodine concentration. The distribution ratios of astatine were determined by measuring the -ray from 210 At with a Nal(TI) detector. A drastic change was observed around at

  4. REPLACING SOLVENT CLEANING WITH AQUEOUS CLEANING

    EPA Science Inventory

    The report documents actions taken by Robert Bosch Corp., Charleston, SC, in replacing the cleaning solvents 1, 1, 2- trichloro-1, 2, 2-trifluoroethane (CFC-113) and trichloroethylene (TCE) with aqueous solutions. Bosch has succeeded in eliminating all their CFC-113 use and so f...

  5. REPLACING SOLVENT CLEANING WITH AQUEOUS CLEANING

    EPA Science Inventory

    The report documents actions taken by Robert Bosch Corp., Charleston, SC, in replacing the cleaning solvents 1, 1, 2- trichloro-1, 2, 2-trifluoroethane (CFC-113) and trichloroethylene (TCE) with aqueous solutions. osch has succeeded in eliminating all their CFC-113 use and so far...

  6. Solvent interactions with a triphenylated benzoxazole polymer

    E-print Network

    Eversdyk, David Allen

    1977-01-01

    Parameters of the Solventsa Solvent 4 (cal/cm~)" Acetaldehyde Acetic Acid Acetic Anhydride Acetone Acetonitrile N-Acetylethanolamine Acrylonitrile Allyl Alcohol Aniline Benzene Benzylamine Bromobenzene 1-Bromobutane 2-Bromobutane Butanol... Acetonitrile N-Acetylethanolamine Acrylonitrile Allyl Alcohol Aniline Benzene Benzylamine Bromobenzene 1-Bromcbutane 2-Bromobutane Butanol Butyl Acetate n-Butylamine iso Butyxamlne Butyraldehyde Butyric Acid Carbon Tetrachloride Chlorobenzene...

  7. Crystal growth in fused solvent systems

    NASA Technical Reports Server (NTRS)

    Ulrich, D. R.; Noone, M. J.; Spear, K. E.; White, W. B.; Henry, E. C.

    1973-01-01

    Research is reported on the growth of electronic ceramic single crystals from solution for the future growth of crystals in a microgravity environment. Work included growth from fused or glass solvents and aqueous solutions. Topics discussed include: crystal identification and selection; aqueous solution growth of triglycine sulphate (TGS); and characterization of TGS.

  8. Solvent-assisted NMR imaging or heterogeneous coal macromolecular networks

    SciTech Connect

    French, D.C.; Cody, G.D.; Botto, R.E.

    1993-09-01

    Solvent swelling has been employed to probe the physical structure of coal (1). The swelling behavior of bituminous coals in various solvents has been used to assess different strengths or types of secondary interactions which determine their macromolecular structures (2-5). The phenomenon of solvent transport into coal during solvent swelling has also been extensively investigated by numerous researchers (6-10). Recently, we have obtained important information concerning solvent accessibility in coals and maceral domains by proton NMR imaging of mobile proton distributions resulting from solvent swelling (11). Images of coals swollen with perdeuterated solvents were used to map mobile phases in the coal macromolecular structure, while images obtained with protic solvents mapped distributions of the ingressed solvent. For the present purposes 2-D images are sufficient and their acquisition is suitably fast. In order to ensure that the transport process was also two-dimensional, the upper and lower sample surfaces were protected from solvent infiltration by glass coverslips which restricted the flow of solvent to cross only the exposed faces of the sample. Each sample is rectangular with initial dimensions on the order of 2 {times} 2 {times} 1 mm. The experimental protocol involved immersing the sample in the solvent for a period of time, removing it from the solvent bath, acquiring an image, and re-immersing it. Figure 1 presents transient images together with one-dimensional projections for each of the three macromolecular systems.

  9. Ionic liquids and deep eutectic solvents in natural products research: mixtures of solids as extraction solvents.

    PubMed

    Dai, Yuntao; van Spronsen, Jaap; Witkamp, Geert-Jan; Verpoorte, Robert; Choi, Young Hae

    2013-11-22

    Mixtures of solid chemicals may become liquid under certain conditions. These liquids are characterized by the formation of strong ionic (ionic liquids) or hydrogen bonds (deep eutectic solvents). Due to their extremely low vapor pressure, they are now widely used in polymer chemistry and synthetic organic chemistry, yet little attention has been paid to their use as extraction solvents of natural products. This review summarizes the preparation of ionic liquids and deep eutectic solvents with natural product components and recent progress in their applications to the extraction and analysis of natural products as well as the recovery of extracted compounds from their extracts. Additionally, various factors affecting extraction features of ionic liquids and deep eutectic solvents, as well as potential useful technologies including microwave and ultrasound to increase the extraction efficiency, are discussed. PMID:24188074

  10. Safety in the Chemical Laboratory: Cyclohexane as a Cryoscopic Solvent.

    ERIC Educational Resources Information Center

    Steffel, Margaret J.

    1981-01-01

    Suggests that cyclohexane be used as a solvent in experiments usually using benzene, which has been placed on the list of chemicals that are confirmed carcinogens. Reasons for selection of cyclohexane and experimental procedures using this solvent are described. (CS)

  11. Integrating Safety Issues in Optimizing Solvent Selection and Process Design 

    E-print Network

    Patel, Suhani Jitendra

    2011-10-21

    Incorporating consideration for safety issues while designing solvent processes has become crucial in light of the chemical process incidents involving solvents that have taken place in recent years. The implementation of ...

  12. Solvent Selection Use dry ice/isopropanol for cooling baths

    E-print Network

    Chan, Hue Sun

    for single- solvent systems, azeotropes, and solvent mixtures with >10°C difference in boiling point. Use, or for high-boiling liquids simply use air. Use Dry Column Vacuum Chromatography to purify large samples

  13. ROSE Process Offers Energy Savings for Solvent Extraction 

    E-print Network

    Gearheart, J. A.; Nelson, S. R.

    1983-01-01

    Kerr-McGee has developed and commercialized an energy-efficient solvent extraction process known as ROSE (Residuum Oil Supercritical Extraction) in which the extraction solvent is recovered as a supercritical fluid. The energy requirement...

  14. EXTRACTION OF CHEMICAL POLLUTANTS FROM INDUSTRIAL WASTEWATERS WITH VOLATILE SOLVENTS

    EPA Science Inventory

    Solvent extraction with volatile solvents was studied as a method for treating wastewaters from petroleum refineries and petrochemical plants. Extraction is most attractive when the loading of organics is high, when substances are present which pose difficulties for biological ox...

  15. BIODEGRADATION OF CHLORINATED SOLVENTS: REACTIONS NEAR DNAPL AND ENZYME FUNCTION

    EPA Science Inventory

    Chlorinated solvents are among the most common organic chemical groundwater contaminants at DOE sites, as well as at DOD and industrial facilities. Included are the solvents trichloroethene (TCE), tetrachloroethene (PCE), and carbon tetrachloride (CT). Commonly these contaminan...

  16. Interfacial Bond-Breaking Electron Transfer in Mixed Water–Ethylene Glycol Solutions: Reorganization Energy and Interplay between Different Solvent Modes

    PubMed Central

    2013-01-01

    We explore solvent dynamics effects in interfacial bond breaking electron transfer in terms of a multimode approach and make an attempt to interpret challenging recent experimental results (the nonmonotonous behavior of the rate constant of electroreduction of S2O82– from mixed water–EG solutions when increasing the EG fraction; see Zagrebin, P.A. et al. J. Phys. Chem. B2010, 114, 311). The exact expansion of the solvent correlation function (calculated using experimental dielectric spectra) in a series predicts the splitting of solvent coordinate in three independent modes characterized by different relaxation times. This makes it possible to construct a 5D free-energy surface along three solvent coordinates and one intramolecular degree of freedom describing first electron transfer at the reduction of a peroxodisulphate anion. Classical molecular dynamics simulations were performed to study the solvation of a peroxodisulphate anion (S2O82–) in oxidized and reduced states in pure water and ethylene glycol (EG) as well as mixed H2O–EG solutions. The solvent reorganization energy of the first electron-transfer step at the reduction of S2O82– was calculated for several compositions of the mixed solution. This quantity was found to be significantly asymmetric. (The reorganization energies of reduction and oxidation differ from each other.) The averaged reorganization energy slightly increases with increasing the EG content in solution. This finding clearly indicates that for the reaction under study the static solvent effect no longer competes with solvent dynamics. Brownian dynamics simulations were performed to calculate the electron-transfer rate constants as a function of the solvent composition. The results of the simulations explain the experimental data, at least qualitatively. PMID:23768162

  17. Cosmology with weak lensing surveys

    NASA Astrophysics Data System (ADS)

    Munshi, Dipak; Valageas, Patrick; van Waerbeke, Ludovic; Heavens, Alan

    2008-06-01

    Weak gravitational lensing is responsible for the shearing and magnification of the images of high-redshift sources due to the presence of intervening matter. The distortions are due to fluctuations in the gravitational potential, and are directly related to the distribution of matter and to the geometry and dynamics of the Universe. As a consequence, weak gravitational lensing offers unique possibilities for probing the Dark Matter and Dark Energy in the Universe. In this review, we summarise the theoretical and observational state of the subject, focussing on the statistical aspects of weak lensing, and consider the prospects for weak lensing surveys in the future. Weak gravitational lensing surveys are complementary to both galaxy surveys and cosmic microwave background (CMB) observations as they probe the unbiased non-linear matter power spectrum at modest redshifts. Most of the cosmological parameters are accurately estimated from CMB and large-scale galaxy surveys, so the focus of attention is shifting to understanding the nature of Dark Matter and Dark Energy. On the theoretical side, recent advances in the use of 3D information of the sources from photometric redshifts promise greater statistical power, and these are further enhanced by the use of statistics beyond two-point quantities such as the power spectrum. The use of 3D information also alleviates difficulties arising from physical effects such as the intrinsic alignment of galaxies, which can mimic weak lensing to some extent. On the observational side, in the next few years weak lensing surveys such as CFHTLS, VST-KIDS and Pan-STARRS, and the planned Dark Energy Survey, will provide the first weak lensing surveys covering very large sky areas and depth. In the long run even more ambitious programmes such as DUNE, the Supernova Anisotropy Probe (SNAP) and Large-aperture Synoptic Survey Telescope (LSST) are planned. Weak lensing of diffuse components such as the CMB and 21 cm emission can also provide valuable cosmological information. Finally, we consider the prospects for joint analysis with other probes, such as (1) the CMB to probe background cosmology (2) galaxy surveys to probe large-scale bias and (3) Sunyaev Zeldovich surveys to study small-scale baryonic physics, and consider the lensing effect on cosmological supernova observations.

  18. Quantum discord with weak measurements

    SciTech Connect

    Singh, Uttam, E-mail: uttamsingh@hri.res.in; Pati, Arun Kumar, E-mail: akpati@hri.res.in

    2014-04-15

    Weak measurements cause small change to quantum states, thereby opening up the possibility of new ways of manipulating and controlling quantum systems. We ask, can weak measurements reveal more quantum correlation in a composite quantum state? We prove that the weak measurement induced quantum discord, called as the “super quantum discord”, is always larger than the quantum discord captured by the strong measurement. Moreover, we prove the monotonicity of the super quantum discord as a function of the measurement strength and in the limit of strong projective measurement the super quantum discord becomes the normal quantum discord. We find that unlike the normal discord, for pure entangled states, the super quantum discord can exceed the quantum entanglement. Our results provide new insights on the nature of quantum correlation and suggest that the notion of quantum correlation is not only observer dependent but also depends on how weakly one perturbs the composite system. We illustrate the key results for pure as well as mixed entangled states. -- Highlights: •Introduced the role of weak measurements in quantifying quantum correlation. •We have introduced the notion of the super quantum discord (SQD). •For pure entangled state, we show that the SQD exceeds the entanglement entropy. •This shows that quantum correlation depends not only on observer but also on measurement strength.

  19. Rotational relaxation of rod like molecules: Diphenylacetylene in various solvents

    Microsoft Academic Search

    Yoshinori Hirata; Yasuhiko Kanemoto; Tadashi Okada; Tateo Nomoto

    1995-01-01

    By using fluorescence anisotropy decay and polarized transient absorption spectrum measurement techniques with a picosecond time resolution, we have studied the rotational relaxation of 4-[[4-(dimethylamino)phenyl]ethynyl]-benzonitrile in various solvents. Our aim is to clarify the solvent-solute interactions revealed as a solvent dependence of the rotational relaxation time of solute molecules. Among the solvents we used, ethanol shows characteristic behavior compared with

  20. Phospholipid Biosynthesis and Solvent Tolerance in Pseudomonas putida Strains

    Microsoft Academic Search

    HOLLY C. PINKART; DAVID C. WHITE

    1997-01-01

    The role of the cell envelope in the solvent tolerance mechanisms of Pseudomonas putida was investigated. The responses of a solvent-tolerant strain, P. putida Idaho, and a solvent-sensitive strain, P. putida MW1200, were examined in terms of phospholipid content and composition and of phospholipid biosynthetic rate following exposure to a nonmetabolizable solvent, o-xylene. Following o-xylene exposure, P. putida MW1200 exhibited

  1. TRIFORCE: Tessellated Semianalytical Solvent Exposed Surface Areas and Derivatives.

    PubMed

    Drechsel, Nils J D; Fennell, Christopher J; Dill, Ken A; Villà-Freixa, Jordi

    2014-09-01

    We present a new approach to the calculation of solvent-accessible surface areas of molecules with potential application to surface area based methods for determination of solvation free energies. As in traditional analytical and statistical approaches, this new algorithm, called TRIFORCE, reports both component areas and derivatives as a function of the atomic coordinates and radii. Unique to TRIFORCE are the rapid and scalable approaches for the determination of sphere intersection points and numerical estimation of the surface areas, derivatives, and other properties that can be associated with the surface area facets. The algorithm performs a special tessellation and semianalytical integration that uses a precomputed look-up table. This provides a simple way to balance numerical accuracy and memory usage. TRIFORCE calculates derivatives in the same manner, enabling application in force-dependent activities such as molecular geometry minimization. TRIFORCE is available free of charge for academic purposes as both a C++ library, which can be directly interfaced to existing molecular simulation packages, and a web-accessible application. PMID:25221446

  2. 4f–4f absorption spectra and hypersensitivity in nine-coordinate Ho(III) and Er(III) complexes in different environments

    Microsoft Academic Search

    Azad A Khan; H. A Hussain; K Iftikhar

    2004-01-01

    The effect of change in the environment upon 4f–4f absorption spectra of nine-coordinate Ho(III) and Er(III) complexes with thiocyanate and 2,2?-bipyridyl in methanol, DMSO, DMF and pyridine have been investigated. The oscillator strength for hypersensitive and non-hypersensitive transitions have been calculated and variation in the intensity and band shape with respect to solvent type is rationalized in terms of solvent

  3. GENERAL PROVISIONS COORDINATION OF BENEFITS

    E-print Network

    Northern British Columbia, University of

    GENERAL PROVISIONS COORDINATION OF BENEFITS If an insured individual is covered under this plan any other Supplementary Health Insurance Benefit or Dental Plan which provides similar benefits, the amount of benefits payable under this plan for covered expenses will be coordinated and/or reduced so

  4. Coordination transactions among electric utilities

    SciTech Connect

    Earley, W.C.

    1984-09-13

    Coordination transactions are becoming an important part of electric-utility operations. Very little has been written about them, however, and they are generally not well understood, even by some within the industry. This article discusses what coordination transactions are, why they occur, how they are priced, and how they are regulated.

  5. Graphing and the Coordinate Plane

    NSDL National Science Digital Library

    2010-01-01

    This lesson is designed to introduce students to graphing coordinates and lines in the Cartesian coordinate plane. This lesson provides links to discussions and activities related to graphing as well as suggested ways to integrate them into the lesson. Finally, the lesson provides links to follow-up lessons designed for use in succession with the current one.

  6. GEAR Tech-21 Geographic Coordinates

    E-print Network

    Farritor, Shane

    GEAR Tech-21 Geographic Coordinates 1 Established Goals Activity Outline Activity Timeline own coordinates. Explore latitude and longitude. Decipher degrees, minutes and seconds. Face a map and use appropriate tools and technology resources to accomplish a variety of tasks and solve problems

  7. Newtonian and relativistic emission coordinates

    SciTech Connect

    Coll, Bartolome; Ferrando, Joan Josep; Morales-Lladosa, Juan Antonio [Departament d'Astronomia i Astrofisica, Universitat de Valencia, 46100 Burjassot, Valencia (Spain)

    2009-09-15

    Emission coordinates are those generated by positioning systems. Positioning systems are physical systems constituted by four emitters broadcasting their respective times by means of sound or light signals. We analyze the incidence of the space-time causal structure on the construction of emission coordinates. The Newtonian case of four emitters at rest is analyzed and contrasted with the corresponding situation in special relativity.

  8. Microphase separation in weakly charged hydrophobic polyelectrolytes

    NASA Astrophysics Data System (ADS)

    Braun, O.; Boué, F.; Candau, F.

    2002-02-01

    Aqueous solutions of a well-defined poly(N-isopropylacrylamide-co-sodium 2-acrylamido-methyl propanesulfonate) (NIPAM/NaAMPS in a 95/5 molar ratio) have been investigated by means of small-angle neutron scattering (SANS) and rheological experiments as a function of temperature (25\\un{^circ C} leqslant T leqslant 60\\un{^circ C}) and polymer concentration (0.5\\un{wt%} leqslant C leqslant 12\\un{wt%}). The solutions remain optically transparent and isotropic over the whole temperature range, in contrast with the homopolyNIPAM which precipitates above its lower critical solution temperature (LCST = 32\\un{^circ C}). Upon addition of salt, the systems undergo a micro-macrophase separation. At temperatures above 45\\un{^circ C}, the SANS spectra exhibit a sharp peak at a scattering wave vector, q_max, which increases slightly with temperature. At high temperature (T sim 60\\un{^circ C}), the scattered intensity follows a power law I(q) sim q^{-4} in the asymptotic regime, characteristic of two-density media with sharp interfaces, and q_{max} is found to vary with polymer concentration as q_{max} sim C^{{0.22}}. Estimates of the typical sizes give values between 40 Å and 200 Å. These results provide a strong evidence of a thermally induced microphase separation, which is corroborated by the very sharp increases of the viscosity (over 2 decades) and of the stress relaxation time of the solutions, occurring in the temperature range where the scattering peak is observed. The results are discussed and compared with the theoretical models proposed for weakly charged polyelectrolytes in a poor solvent.

  9. Prediction of deep eutectic solvents densities at different temperatures

    Microsoft Academic Search

    K. Shahbaz; F. S. Mjalli; M. A. Hashim; I. M. Alnashef

    2011-01-01

    Predicting densities of nonconventional solvents like deep eutectic solvents (DESs) as a function of temperature is of considerable importance in the development and design of new processes utilizing these solvents. Because of the nature of bonding existing between the salt and the hydrogen bond donor, conventional methods result in very large deviations. In this study, the density of DESs based

  10. Evaluation of solvent selectivity in dewaxing and deoiling

    Microsoft Academic Search

    N. V. Alperovich; A. N. Leonidov; S. P. Sokolova

    1983-01-01

    Previous literature on the efficiency of solvents used in removing paraffin wax by decrystallization is insufficient. A method for evaluating selectivity and mixtures of solvents is offered. General solvents MEK, acetone, MIBK are tested in various raw materials, then graphed. It is found that the ratio of the slope of the curve for the temperature of equal solubility (TES) as

  11. Catalytic coal liquefaction with treated solvent and SRC recycle

    DOEpatents

    Garg, D.; Givens, E.N.; Schweighardt, F.K.

    1986-12-09

    A process is described for the solvent refining of coal to distillable, pentane soluble products using a dephenolated and denitrogenated recycle solvent and a recycled, pentane-insoluble, solvent-refined coal material, which process provides enhanced oil-make in the conversion of coal. 2 figs.

  12. Distribution behavior of astatine: Solvent extraction and back extraction

    Microsoft Academic Search

    M. S. Sultana; A. Toyoshima; N. Takahashi; H. Baba

    2001-01-01

    The distribution behavior of astatine was studied at tracer concentrations and over a wide range of carrier iodide concentration in both solvent extraction and back extraction processes. Astatine compounds were extracted instantly into the organic solvent, CS2 from the carrier free and carrier iodide containing solutions. Back extraction of astatine with various NaOH solutions followed by solvent extraction caused the

  13. ALTERNATIVES TO CHLORINATED SOLVENTS FOR CLEANING AND DEGREASING

    EPA Science Inventory

    This guide describes chemical alternatives to chlorinated solvents that eliminate the use of ozone-depleting chlorinated solvents and smog-forming solvents that contribute high levels of volatile organic compounds (VOC) to the atmosphere. oth commercially available and emerging c...

  14. Interaction of organic solvents with the green alga Chlorella pyrenoidosa

    Microsoft Academic Search

    Glenn W. Stratton; Tara M. Smith

    1988-01-01

    Solvents are often a component of bioassay systems when waterinsoluble toxicants are beinE tested. These solvents must also be considered as xenobiotics and therefore, as potential toxicants in the bioassay. However, the effects of solvents on the organisms being tested and their possible interaction with the test compound are often overlooked by researchers. Although simple toxic effects can be corrected

  15. State tomography via weak measurements

    E-print Network

    Shengjun Wu

    2013-02-01

    Recent work has revealed that the wave function of a pure state can be measured directly and that complementary knowledge of a quantum system can be obtained simultaneously by weak measurements. However, the original scheme applies only to pure states, and it is not efficient because most of the data are discarded by post-selection. Here, we propose tomography schemes for pure states and for mixed states via weak measurements, and our schemes are more efficient because we do not discard any data. Furthermore, we demonstrate that any matrix element of a general state can be directly read from an appropriate weak measurement. The density matrix (with all of its elements) represents all that is directly accessible from a general measurement.

  16. Networking of calixcrowns: from heteronuclear endo/exocyclic coordination polymers to a photoluminescence switch.

    PubMed

    Lee, Jai Young; Kim, Hyun Jee; Jung, Jong Hwa; Sim, Wonbo; Lee, Shim Sung

    2008-10-22

    Solvato-PL switching and shrinking-and-opening process: we present two CuI coordination polymers of calix[4]-bis-monothiacrown (L) obtained in the absence (1) and presence (2) of KI. The structures show not only very unusual CuI-based network arrangements but also unique reversible photolunimescence switching behavior induced by removal of coordinated solvent. Furthermore, upon inclusion of K+ ions the crown ring shrinks leading to "opening" of opposite aromatic rings in the host calixarene unit, rare behavior for this class of compound. PMID:18817393

  17. Coordination polymers of uranium(IV) terephthalates.

    PubMed

    Falaise, Clément; Assen, Ayalew; Mihalcea, Ionut; Volkringer, Christophe; Mesbah, Adel; Dacheux, Nicolas; Loiseau, Thierry

    2015-02-14

    A series of tetravalent uranium terephthalates has been solvothermally synthesized in the solvent N,N-dimethylformamide (DMF) at temperature 100-150 °C with different water amounts. Composition diagrams have been determined for the U(4+) metallic cation in the presence of terephthalic acid, and their crystal structures revealed the occurrence of two- or three-dimensional coordination polymers. In the absence of water, a mixture of two polytypes T-U(2)Cl(2)(bdc)(3)(DMF)(4) (1) and M-U(2)Cl(2)(bdc)(3)(DMF)(4) (2) has been identified at low temperature (100-110 °C) for bdc/U = 1-4 (bdc = terephthalate linker). Their structures are built up from isolated uranium centers in nine-fold coordination, surrounded by 6 carboxyl oxygen atoms, 2 oxygen atoms coming from DMF molecules and one chlorine atom. The uranium cations are linked to each other through the bdc ligand in order to generate a 3D framework. By increasing the temperature (130-150 °C), a layered like compound has been isolated, U(2)(bdc)(4)(DMF)(4) (3). It is composed of discrete actinide centers in ten-fold coordination, with 8 carboxyl oxygen atoms and 2 oxygen atoms from DMF molecules. The connection of the UO10 units with the bdc linkers generates 2D sheets. When a controlled amount of water is added to the reaction medium, the crystallization of the UiO-66-like U(6)O(4)(OH)(4)(H(2)O)(6)(bdc)(6)·10DMF solid (containing a hexanuclear sub-unit) is observed for temperature 110-120 °C and the H(2)O/U molar ratio in the range of 2-10. At higher temperature (140-150 °C), a distinct phase appeared, U(2)O(2)(bdc)(2)(DMF) (4), which consists of infinite chains of uranium centers, linked to each other via the bdc ligands. Higher water contents led to the formation of urania UO(2). PMID:25428593

  18. Contemporary Mathematics Weak normalization and weak subintegral closure

    E-print Network

    of Lantz relating weak subintegral closure and Rees valuations is true for monomial ideals that are primary. The seminormalization of a commutative ring A in an integral extension B is a ring whose prime spectrum is in bijective normalization of a commutative ring A in an integral extension B is a ring whose prime spectrum is in bijective

  19. Interaction forces between asphaltene surfaces in organic solvents.

    PubMed

    Wang, Shengqun; Liu, Jianjun; Zhang, Liyan; Masliyah, Jacob; Xu, Zhenghe

    2010-01-01

    The colloidal interactions between asphaltene surfaces in heptol, a mixture of n-heptane and toluene, were studied for the first time by colloidal force measurements using an atomic force microscope (AFM). Asphaltenes were deposited on silica wafers and silica spheres using the Langmuir-Blodgett upstroke technique. The results showed that the ratio of toluene to heptane can significantly change solvent quality in terms of the ability to solubilize asphaltenes and hence the nature and the magnitude of the interaction forces between asphaltene surfaces. In pure toluene, there is a steric long-range repulsion which can be well fitted by the scaling theory of polymer brushes. As toluene volume fraction in heptol (Phi(T)) is gradually decreased from Phi(T) = 1 (pure toluene) to Phi(T) = 0 (pure n-heptane), the steric repulsion reduced and changed to weak attraction when Phi(T) < 0.2. The attraction in heptane can be fitted by van der Waals forces alone which are thus believed to promote asphaltene aggregation, leading to asphaltene precipitation. The results obtained in this study provide an insight into interactions that determine asphaltene behavior in an organic medium and hence in crude oils. PMID:19645456

  20. Deep eutectic solvents: sustainable media for nanoscale and functional materials.

    PubMed

    Wagle, Durgesh V; Zhao, Hua; Baker, Gary A

    2014-08-19

    Deep eutectic solvents (DESs) represent an alternative class of ionic fluids closely resembling room-temperature ionic liquids (RTILs), although, strictly speaking, they are distinguished by the fact that they also contain an organic molecular component (typically, a hydrogen bond donor like a urea, amide, acid, or polyol), frequently as the predominant constituent. Practically speaking, DESs are attractive alternatives to RTILs, sharing most of their remarkable qualities (e.g., tolerance to humidity, negligible vapor pressure, thermostability, wide electrochemical potential windows, tunability) while overcoming several limitations associated with their RTIL cousins. Particularly, DESs are typically, less expensive, more synthetically accessible (typically, from bulk commodity chemicals using solvent/waste-free processes), nontoxic, and biodegradable. In this Account, we provide an overview of DESs as designer solvents to create well-defined nanomaterials including shape-controlled nanoparticles, electrodeposited films, metal-organic frameworks, colloidal assemblies, hierarchically porous carbons, and DNA/RNA architectures. These breakthroughs illustrate how DESs can fulfill multiple roles in directing chemistry at the nanoscale: acting as supramolecular template, metal/carbon source, sacrificial agent (e.g., ammonia release from urea), and/or redox agent, all in the absence of formal stabilizing ligand (here, solvent and stabilizer are one and the same). The ability to tailor the physicochemical properties of DESs is central to controlling their interfacial behavior. The preorganized "supramolecular" nature of DESs provides a soft template to guide the formation of bimodal porous carbon networks or the evolution of electrodeposits. A number of essential parameters (viscosity, polarity, surface tension, hydrogen bonding), plus coordination with solutes/surfaces, all play significant roles in modulating species reactivity and mass transport properties governing the genesis of nanostructure. Furthermore, DES components may modulate nucleation and growth mechanisms by charge neutralization, modification of reduction potentials (or chemical activities), and passivation of particular crystal faces, dictating growth along preferred crystallographic directions. Broad operational windows for electrochemical reactions coupled with their inherent ionic nature facilitate the electrodeposition of alloys and semiconductors inaccessible to classical means and the use of cosolvents or applied potential control provide under-explored strategies for mediating interfacial interactions leading to control over film characteristics. The biocompatibility of DESs suggests intriguing potential for the construction of biomolecular architectures in these novel media. It has been demonstrated that nucleic acid structures can be manipulated in the ionic, crowded, dehydrating (low water activity) DES environment-including the adoption of duplex helical structures divergent from the canonical B form and parallel G-quadruplex DNA persisting near water's boiling point-challenging the misconception that water is a necessity for maintenance of nucleic acid structure/functionality and suggesting an enticing trajectory toward DNA/RNA-based nanocatalysis within a strictly anhydrous medium. DESs offer tremendous opportunities and open intriguing perspectives for generating sophisticated nanostructures within an anhydrous or low-water medium. We conclude this Account by offering our thoughts on the evolution of the field, pointing to areas of clear and compelling utility which will surely see fruition in the coming years. Finally, we highlight a few hurdles (e.g., need for a universal nomenclature, absence of water-immiscible, oriented-phase, and low-viscosity DESs) which, once navigated, will hasten progress in this area. PMID:24892971

  1. Cosmology and the weak interaction

    NASA Technical Reports Server (NTRS)

    Schramm, David N.

    1989-01-01

    The weak interaction plays a critical role in modern Big Bang cosmology. Two of its most publicized comological connections are emphasized: big bang nucleosynthesis and dark matter. The first of these is connected to the cosmological prediction of neutrine flavors, N(sub nu) is approximately 3 which in now being confirmed. The second is interrelated to the whole problem of galacty and structure formation in the universe. The role of the weak interaction both for dark matter candidates and for the problem of generating seeds to form structure is demonstrated.

  2. Evidences of nonideal mixing in poly(ethylene glycol)/organic solvent mixtures by Brillouin scattering.

    PubMed

    Pochylski, M; Aliotta, F; B?aszczak, Z; Gapi?ski, J

    2006-01-12

    The concentration dependence of the hypersonic properties of solutions of poly(ethylene glycol) of mean molecular mass 600 g/mol (PEG600) in benzene and toluene has been investigated by Brillouin scattering. The two solvents are very similar in structure and chemical properties, but while benzene is nonpolar, toluene possess a modest dipole. In both solvents a high-frequency relaxation process has been observed at high concentrations which has been assigned to conformational rearrangements of the polymeric chains, triggered by reorientation of the side groups. In both cases, the concentration dependence of the adiabatic compressibility deviates significantly from linearity, indicating the existence of nonideal mixing phenomena driven by aggregation processes taking place in the systems. However, there is no temperature dependence for solutions of PEG600 in benzene; on the contrary, the results obtained for solutions of PEG600 in toluene are noticeably dependent on the temperature. The comparison of the experimental data with the results of previous experiments on similar systems allows a general picture for weakly interacting mixtures of hydrogen-bonded systems and organic solvents to be developed. In particular, in the presence of a nonpolar solvent molecule the local structure of the mixture is dominated by solute self-association processes and any resulting solute-solvent correlation is barely induced by excluded volume effects. At high enough dilution the self-aggregation of solute molecules produces a variety of new local topologies that cannot be observed in bulk solute, and as a consequence, the concentration evolution of the system is too rich to be described in terms of a linear combination of a few components over the whole concentration range. The situation seems to be simpler for the polar toluene solvent molecules, where a three-component model seems able to fit the experimental concentration dependence of the hypersonic velocity. This result is interpreted to imply that the interaction between the solvent dipoles and the active sites of the solute produces a relatively stable heterocoordination, while the relevance of self-association is partially reduced. PMID:16471559

  3. Structuring of polymer solutions upon solvent evaporation

    NASA Astrophysics Data System (ADS)

    Schaefer, C.; van der Schoot, P.; Michels, J. J.

    2015-02-01

    The morphology of solution-cast, phase-separated polymers becomes finer with increasing solvent evaporation rate. We address this observation theoretically for a model polymer where demixing is induced by steady solvent evaporation. In contrast to what is the case for a classical, thermal quench involving immiscible blends, the spinodal instability initially develops slowly and the associated length scale is not time invariant but decreases with time as t-1 /2. After a time lag, phase separation accelerates. Time lag and characteristic length exhibit power-law behavior as a function of the evaporation rate with exponents of -2 /3 and -1 /6 . Interestingly, at later stages the spinodal structure disappears completely while a second length scale develops. The associated structure coarsens but does not follow the usual Lifshitz-Slyozov-Wagner kinetics.

  4. Development of a solvent processed insensitive propellant

    NASA Technical Reports Server (NTRS)

    Trask, R.; Costa, E.; Beardell, A. J.

    1980-01-01

    Two types of low vulnerability propellants are studied which are distinguished by whether the binder is a rubber, such as polyurethane or CTBN, or a plasticizable polymer such as ethyl cellulose or cellulose acetate. The former propellants are made by a partial cure extrusion process while the latter are made by the conventional solvent process. Emphasis is given to a cellulose binder (plasticizer) RDX composition. The type of binder used, the particle size of the RDX and the presence of small quantities of nitrocellulose in the solvent processed compositions have important influences on the mechanical and combustion characteristics of the propellant. The low temperature combustion is of particular concern because of potential breakup of the grains that can lead to instability.

  5. Production of biodiesel using expanded gas solvents

    SciTech Connect

    Ginosar, Daniel M [Idaho Falls, ID; Fox, Robert V [Idaho Falls, ID; Petkovic, Lucia M [Idaho Falls, ID

    2009-04-07

    A method of producing an alkyl ester. The method comprises providing an alcohol and a triglyceride or fatty acid. An expanding gas is dissolved into the alcohol to form a gas expanded solvent. The alcohol is reacted with the triglyceride or fatty acid in a single phase to produce the alkyl ester. The expanding gas may be a nonpolar expanding gas, such as carbon dioxide, methane, ethane, propane, butane, pentane, ethylene, propylene, butylene, pentene, isomers thereof, and mixtures thereof, which is dissolved into the alcohol. The gas expanded solvent may be maintained at a temperature below, at, or above a critical temperature of the expanding gas and at a pressure below, at, or above a critical pressure of the expanding gas.

  6. Redispersity/Solubility of nanopowder in solvents.

    PubMed

    Zhao, Yunan; Wang, Minmin; Liu, Yan; Cui, Hongtao

    2014-01-01

    Because of the high surface energy, nanoparticles show strong tendency to agglomeration or aggregation during preparations and applications, which thus greatly deteriorate their performance. Investigations have proven that redispersible nanoparticles can exhibit enhanced performances or be used in new technical applications as compared with the non-redispersible nanoparticles. The redispersity or solubility of particles is defined as their ability for re-forming colloid-like suspension after they are redispersed in solvent. The redispersity/solubility of particles can be obtained by establishing compatibility between particles and solvent through various techniques. In this review, we will give summary descriptions about related methods and their mechanism for the fabrication of redispersible or soluble particles. Also, outlook for the development and applications in this area will be given. PMID:24635206

  7. Amine based solvent for CO2 absorption \\

    Microsoft Academic Search

    Prachi Singh

    2011-01-01

    Global warming is a well-known, worldwide concern, most probably caused by\\u000aincreasing concentrations of CO2 and other greenhouse gases in the earth’s atmosphere,\\u000adue to human activities. Carbon Capture and Storage (CCS) offers the opportunity to\\u000areduce the CO2 emissions associated with the use of fossil fuels. Carbon dioxide capture\\u000awith a regenerable solvent is considered a mature technology and

  8. Interfacial chemistry in solvent extraction systems

    SciTech Connect

    Neuman, R.D.

    1992-01-01

    Research last year emphasized the nature of microscopic interfaces, i. e., reversed micelles and other association microstructures, which form in both practical and simplified acidic organophosphorus extraction systems associated with Ni, Co and Na in order to improve on a recently proposed model for aggregation of metal-extractant complexes. Also, the macroscopic interfacial behavior of extractant molecules and their interactions with metal ions which occur in hydrometallurgical solvent extraction systems were further investigated.

  9. Enzyme-Catalyzed Processes in Organic Solvents

    Microsoft Academic Search

    Aleksey Zaks; Alexander M. Klibanov

    1985-01-01

    Three different lipases (porcine pancreatic, yeast, and mold) can vigorously act as catalysts in a number of nearly anhydrous organic solvents. Various transesterification reactions catalyzed by porcine pancreatic lipase in hexane obey Michaelis-Menten kinetics. The dependence of the catalytic activity of the enzyme in organic media on the pH of the aqueous solution from which it was recovered is bell-shaped,

  10. Solvent extraction of Southern US tar sands

    SciTech Connect

    Penney, W.R.

    1990-01-01

    The Department of Chemical Engineering at the University of Arkansas, in association with Diversified Petroleum Recovery, Inc. (DPR) of Little Rock, Arkansas, has been developing a solvent extraction process for the recovery of bitumen from tar sands for the past five years. The unique feature of the process is that the bitumen is recovered from the solvent by contacting with a co-solvent, which causes the bitumen to precipitate. The overall purpose of this project is to study both the technical and economic feasibility of applying this technology for recovery of bitumen from tar sands by (1) investigating the socioeconmic factors which affect (a) plant siting and (b) the market value of recovered bitumen; (2) operating a process demonstration unit at the rate of 1 lb/hr recovered bitumen while producing clean sand and recyclable solvents; and (3) determine the economic conditions which will make a bitumen recovery project economical. DPR has analyzed the historical trends of domestic production, consumption, discoveries and reserves of crude oil. They have started an investigation of the volatility in the price of crude oil and of gasoline prices and of the differential between gasoline and crude oil. DPR continues to analyze the geographical movement and demand for asphalt products. Utah does not appear economically attractive as a site for a bitumen from tar sands asphalt plant. Oklahoma sites are now being studied. This report also contains the quarterly progress report from a University of Nevada study to determine bitumen composition, oxygen uptake rates, and viscosities of Alabama and Utah bitumens. Both reports have been indexed separately for inclusion on the data base.

  11. Modeling Remediation of Chlorinated Solvent Plumes

    Microsoft Academic Search

    Hanadi S. Rifai; Robert C. Borden; Charles J. Newell; Philip B. Bedient

    \\u000a Analytical and numerical modeling has emerged as a valuable tool for planning and designing groundwater remediation systems.\\u000a Models have been used in a variety of settings including (1) research into the fundamental processes controlling chlorinated\\u000a solvent fate and transport, (2) methods for integrating information on site hydrology, geology, contaminant distribution,\\u000a transport and fate, and (3) applied aspects of plume management

  12. 40 CFR Table 5 to Subpart Vvvv of... - Default Organic HAP Contents of Solvents and Solvent Blends

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...Manufacturing Pt. 63, Subpt. VVVV, Table 5 Table 5 to Subpart VVVV of Part 63—Default...when detailed organic HAP content data for solvent blends are not available...may use the values in the following table: Solvent/solvent blend...

  13. 40 CFR Table 5 to Subpart Vvvv of... - Default Organic HAP Contents of Solvents and Solvent Blends

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...Manufacturing Pt. 63, Subpt. VVVV, Table 5 Table 5 to Subpart VVVV of Part 63—Default...when detailed organic HAP content data for solvent blends are not available...may use the values in the following table: Solvent/solvent blend...

  14. 40 CFR Table 5 to Subpart Vvvv of... - Default Organic HAP Contents of Solvents and Solvent Blends

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...Manufacturing Pt. 63, Subpt. VVVV, Table 5 Table 5 to Subpart VVVV of Part 63—Default...when detailed organic HAP content data for solvent blends are not available...may use the values in the following table: Solvent/solvent blend...

  15. Absorbance changes of carotenoids in different solvents.

    PubMed

    Zang, L Y; Sommerburg, O; van Kuijk, F J

    1997-01-01

    Carotenoids are typically measured in tissues with the high performance liquid chromatography (HPLC) and quantitation is usually done by calibrating with stock solutions in solvents. Four carotenoids including lutein, zeaxanthin, lycopene and beta-carotene were dissolved in hexane and methanol respectively, and their absorbance characteristics were compared. Lutein shows absorbance spectra that are almost independent of solvents at various concentrations. Spectra of zeaxanthin, lycopene and beta-carotene were found to be more solvent-dependent. The absorbance of zeaxanthin at lambda max is about approximately 2 times larger in methanol than in hexane at the higher concentrations, and increased non-linearly with increasing concentration in hexane. The absorbance of lycopene at lambda max in hexane is approximately 4 fold larger than in methanol, but the absorbance of the methanol sample can be recovered by re-extracting this sample in hexane. The absorbance of beta-carotene in hexane is larger than in methanol, and increased linearly with increasing concentration. But beta-carotene showed a non-linear concentration effect in methanol. There are very small variations in lambda max for all four carotenoids between hexane and methanol, due to differences in molar extinction coefficients. The non-linear concentration effects for these carotenoids are probably due to differences in solubility leading to the formation of microcrystals. Thus, care should be taken with quantitation of tissue carotenoid values, when they depend on measurement of concentrations in stock solutions. PMID:9358253

  16. North Atlantic simulations with the HYbrid Coordinate Ocean Model(HYCOM): Impact of the vertical coordinate choice, reference pressure, andthermobaricity

    NASA Astrophysics Data System (ADS)

    Chassignet, E. P.; Smith, L. T.; Halliwell, G. R.; Bleck, R.

    2003-04-01

    The viability of a generalized (HYbrid) Coordinate Ocean Model (HYCOM), together with the importance of thermobaricity and the choice of reference pressure, are demonstrated by analyzing simulations carried out using the WOCE Community Modeling Experiment (CME) Atlantic basin configuration. The standard hybrid vertical coordinate configuration is designed to remain isopycnic throughout as much of the water column as possible, while smoothly transitioning to level (pressure) coordinates in regions with weak vertical density gradients such as the surface mixed layer, and to terrain-following coordinates in shallow water regions. Single coordinate (pressure or density) experiments illustrate the flexibility of the model, but also bring forward some of the limitations associated with such a choice. Hybrid experiments with potential density referenced to the surface (?_?) and to 20 MPa (˜2000m) (?_2) illustrate the increased influence of pressure errors with increasing distance from the reference pressure. The ?_? hybrid experiment does not properly reproduce the northward flow of Antarctic Bottom Water (AABW), while large errors in near-surface pressure gradients in the ?_2 experiment produce a wind driven gyre circulation that is too strong when compared to observations and a North Atlantic Current that follows an unrealistic path. These near-surface and near-bottom pressure errors are removed when thermobaric effects are included, resulting in a more accurate representation of the upper-ocean gyre circulation, the northward AABW flow near the bottom, and the realism of the meridional overturning circulation and heat flux.

  17. Evaluation of solvent selectivity in dewaxing and deoiling

    SciTech Connect

    Al'perovich, N.V.; Leonidov, A.N.; Sokolova, S.P.

    1983-05-01

    Previous literature on the efficiency of solvents used in removing paraffin wax by decrystallization is insufficient. A method for evaluating selectivity and mixtures of solvents is offered. General solvents MEK, acetone, MIBK are tested in various raw materials, then graphed. It is found that the ratio of the slope of the curve for the temperature of equal solubility (TES) as a function of the content of the solvent (that is, the solubility curve) to the slope of the corresponding denormalization curve is constant. This ratio gives a formula, and is therefore a criterion for selectivity. The greater the ratio, the higher the selectivity. The ratio is also generalized to solvents of any composition.

  18. Batch extracting process using magnetic particle held solvents

    DOEpatents

    Nunez, L.; Vandergrift, G.F.

    1995-11-21

    A process is described for selectively removing metal values which may include catalytic values from a mixture containing same, wherein a magnetic particle is contacted with a liquid solvent which selectively dissolves the metal values to absorb the liquid solvent onto the magnetic particle. Thereafter the solvent-containing magnetic particles are contacted with a mixture containing the heavy metal values to transfer metal values into the solvent carried by the magnetic particles, and then magnetically separating the magnetic particles. Ion exchange resins may be used for selective solvents. 5 figs.

  19. Keep meaning in conversational coordination.

    PubMed

    Cuffari, Elena C

    2014-01-01

    Coordination is a widely employed term across recent quantitative and qualitative approaches to intersubjectivity, particularly approaches that give embodiment and enaction central explanatory roles. With a focus on linguistic and bodily coordination in conversational contexts, I review the operational meaning of coordination in recent empirical research and related theorizing of embodied intersubjectivity. This discussion articulates what must be involved in treating linguistic meaning as dynamic processes of coordination. The coordination approach presents languaging as a set of dynamic self-organizing processes and actions on multiple timescales and across multiple modalities that come about and work in certain domains (those jointly constructed in social, interactive, high-order sense-making). These processes go beyond meaning at the level that is available to first-person experience. I take one crucial consequence of this to be the ubiquitously moral nature of languaging with others. Languaging coordinates experience, among other levels of behavior and event. Ethical effort is called for by the automatic autonomy-influencing forces of languaging as coordination. PMID:25520693

  20. Simulations of weak gravitational lensing

    E-print Network

    Martin White; Chris Vale

    2004-05-13

    We describe the simulation data produced by a pilot programme to compute mock weak gravitational lensing maps for a range of currently popular cosmological models by ray tracing through high-resolution N-body simulations. The programme required only a modest investment in computer time to produce maps accurate to arcminute scales covering hundreds of square degrees of sky for 4 cosmological models.

  1. {tau} weak magnetic dipole moment

    SciTech Connect

    Gonzalez-Sprinberg, Gabriel [Facultad de Ciencias, Universidad de la Rep'ublica Montevideo (Uruguay)

    1998-10-05

    The weak magnetic dipole moment of the {tau}-lepton is reviewed. Standard Model predictions and the last experimental results are presented. These may result in a stringent test for both their point-like structure and also for new physics.

  2. Cosmology with weak lensing surveys.

    PubMed

    Munshi, Dipak; Valageas, Patrick

    2005-12-15

    Weak gravitational lensing is responsible for the shearing and magnification of the images of high-redshift sources due to the presence of intervening mass. Since the lensing effects arise from deflections of the light rays due to fluctuations of the gravitational potential, they can be directly related to the underlying density field of the large-scale structures. Weak gravitational surveys are complementary to both galaxy surveys and cosmic microwave background observations as they probe unbiased nonlinear matter power spectra at medium redshift. Ongoing CMBR experiments such as WMAP and a future Planck satellite mission will measure the standard cosmological parameters with unprecedented accuracy. The focus of attention will then shift to understanding the nature of dark matter and vacuum energy: several recent studies suggest that lensing is the best method for constraining the dark energy equation of state. During the next 5 year period, ongoing and future weak lensing surveys such as the Joint Dark Energy Mission (JDEM; e.g. SNAP) or the Large-aperture Synoptic Survey Telescope will play a major role in advancing our understanding of the universe in this direction. In this review article, we describe various aspects of probing the matter power spectrum and the bi-spectrum and other related statistics with weak lensing surveys. This can be used to probe the background dynamics of the universe as well as the nature of dark matter and dark energy. PMID:16286284

  3. Weak-signal iterative holography.

    PubMed

    Watnik, Abbie T; Lebow, Paul S

    2015-04-01

    An iterative holographic table-top experiment is presented, where a recorded hologram is used to re-illuminate the initial target. With this beam shaping setup, more light is directed to the target for each iteration until a convergence limit is met. We experimentally examine convergence properties of this iterative hologram reconstruction approach for weak object signals and compare with theory. PMID:25967166

  4. Incorporating excluded solvent volume and physical dipoles for computing solvation free energy.

    PubMed

    Yang, Pei-Kun

    2015-07-01

    The solvation free energy described using the Born equation depends on the solute charge, solute radius, and solvent dielectric constant. However, the dielectric polarization derived from Gauss's law used in the Born equation differs from that obtained from molecular dynamics simulations. Therefore, the adjustment of Born radii is insufficient for fitting the solvation free energy to various solute conformations. In order to mimic the dielectric polarization surrounding a solute in molecular dynamics simulations, the water molecule in the first coordination shell is modeled as a physical dipole in a van der Waals sphere, and the intermediate water is treated as a bulk solvent. The electric dipole of the first-shell water is modeled as positive and negative surface charge layers with fixed charge magnitudes, but with variable separation distance as derived from the distributions of hydrogen and oxygen atoms of water dictated by their orientational distribution functions. An equation that describes the solvation free energy of ions using this solvent scheme with a TIP3P water model is derived, and the values of the solvation free energies of ions estimated from this derived equation are found to be similar to those obtained from the experimental data. PMID:26113115

  5. An AIMD study of CPD dimer repair mechanism in water: role of solvent in ring splitting

    PubMed Central

    Hassanali, Ali A.; Zhong, Dongping; Singer, Sherwin J.

    2011-01-01

    In this paper, we continue to explore the repair mechanisms of the cyclobutane pyrimidine dimer. We find that a full description of both C5-C5? and C6-C6? bond splitting requires a multidimensional treatment involving a solvent coordinate in addition to changes in internal dimer coordinates. Non-equilibrium effects are likely to be important as well, although the initial conditions following forward electron transfer to the dimer, beyond the scope of this study, will ultimately determine the importance of these effects. Throughout the splitting of C5-C5? and C6-C6? bonds, a significant amount of excess charge is delocalized onto the solvent. We have verified that this is not an artifact of the electronic density functional theory (DFT) method used for this anionic system with Schröinger equation-based quantum chemical cluster calculations. The amount and variability of charge delocalization changes with the course of the reaction. The splitting of the C6-C6? bond is accompanied by both an increase in electron density on the C6 and C6? carbon atoms and an increase in the water density near those atoms. These features are observed both in our equilibrium umbrella sampling simulations and non-equilibrium trajectories. PMID:21417372

  6. Solvent-dependent luminescent Cu(I) framework based on 5-(4-pyridyl)tetrazole

    SciTech Connect

    Wang Fei; Yu Rongmin; Zhang Qisheng; Zhao Zhenguo; Wu Xiaoyuan; Xie Yiming; Qin Li; Chen Shanci [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China); Lu Canzhong, E-mail: czlu@fjirsm.ac.c [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China)

    2009-09-15

    A new Cu(IOTA) coordination compound, Cu{sub 4}(L){sub 4}.2EtOH (1), has been obtained from the solvothermal reaction of CuBr, HL (L=5-(4-pyridyl) tetrazole), EtOH and NH{sub 3}.H{sub 2}O. The structure determination reveals that 1 has a 2D network, where each Cu(I) atom adopts a trigonal coordination mode. The 2D networks stacked in an ABAB sequence through the pi-pi interaction to form a 3D supramolecular framework, giving a 1D channel along the b-axis. The TGA and powder XRD measurements reveal that the framework is stable after removal of the guest molecules. Gas (N{sub 2}) adsorption measurement was carried out for the framework. Framework 1 shows II sorption profile with N{sub 2}, which indicates that N{sub 2} molecules cannot diffuse into the micropore and only surface adsorption occurs. The photoluminescent research shows that compound 1 displays an interesting solvent-dependent luminescence. - Abstract: A new Cu(I) compound, Cu{sub 4}(L){sub 4}.2EtOH (1) (L=5-(4-pyridyl) tetrazole), was synthesized under solvothermal method, which displays an interesting solvent-dependent luminescence. Display Omitted

  7. Electroreduction of Buckminsterfullerene, C{sub 60}, in aprotic solvents: Solvent, supporting electrolyte, and temperature effects

    SciTech Connect

    Dubois, D.; Moninot, G.; Kutner, W.; Jones, M.T.; Kadish, K.M. [Univ. of Houston, TX (United States)

    1992-08-20

    The electroreductions of Buckminsterfullerene (C{sub 60}) in aprotic solvents were examined as a function of solvent, supporting electrolyte, and temperature. Altogether, 11 different solvents and 17 different supporting electrolytes were utilized in measurements made between 223 and 348 K. The cations of the supporting electrolytes were Li{sup +} and Na{sup +} as well as quaternary ammonium and quaternary phosphonium cations. The anions of the supporting electrolytes were ClO{sub 4}{sup {minus}}, BF{sub 4}{sup {minus}}, PF{sub 6}{sup {minus}}, and Br{sup {minus}}. Cyclic voltammograms, rotating disk electrode voltammograms, and controlled potential coulometry revealed up to five reversible one-electron reductions. A qualitative approach is used to elucidate the effects of solvent, supporting electrolyte and temperature on the half-wave potentials, E{sub 1/2}, of the reductions of C{sub 60}. A qualitative approach is used to elucidate the effects of solvent, supporting electrolyte, and temperature on the half-wave potentials, E{sub 1/2}, of the reductions of C{sub 60}. 38 refs., 5 figs., 7 tabs.

  8. Coordinate systems in lunar ranging

    NASA Technical Reports Server (NTRS)

    Mulholland, J. D.

    1975-01-01

    Three distinct coordinate systems are required in the interpretation of the lunar range observations: a celestial frame and two-body-fixed frames. However, there is no coordinate system that is uniquely, or even preferentially, related to the observations themselves. Effectively, one specifies the coordinate systems by the procedures used in data reduction and parameter improvement. Each of the three systems affects the others in some way, and internal inconsistencies are quite possible. The discussion examines some of the more important aspects of this problem.

  9. Demixing of colloid-polymer mixtures in poor solvents

    E-print Network

    Matthias Schmidt; Alan R. Denton

    2002-04-15

    The influence of poor solvent quality on fluid demixing of a model mixture of colloids and nonadsorbing polymers is investigated using density functional theory. The colloidal particles are modelled as hard spheres and the polymer coils as effective interpenetrating spheres that have hard interactions with the colloids. The solvent is modelled as a two-component mixture of a primary solvent, regarded as a background theta-solvent for the polymer, and a cosolvent of point particles that are excluded from both colloids and polymers. Cosolvent exclusion favors overlap of polymers, mimicking the effect of a poor solvent by inducing an effective attraction between polymers. For this model, a geometry-based density functional theory is derived and applied to bulk fluid phase behavior. With increasing cosolvent concentration (worsening solvent quality), the predicted colloid-polymer binodal shifts to lower colloid concentrations, promoting demixing. For sufficiently poor solvent, a reentrant demixing transition is predicted at low colloid concentrations.

  10. Nonhazardous solvent composition and method for cleaning metal surfaces

    DOEpatents

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

    1993-05-04

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

  11. Single Stage Contactor Testing Of The Next Generation Solvent Blend

    SciTech Connect

    Herman, D. T.; Peters, T. B.; Duignan, M. R.; Williams, M. R.; Poirier, M. R.; Brass, E. A.; Garrison, A. G.; Ketusky, E. T.

    2014-01-06

    The Modular Caustic Side Solvent Extraction (CSSX) Unit (MCU) facility at the Savannah River Site (SRS) is actively pursuing the transition from the current BOBCalixC6 based solvent to the Next Generation Solvent (NGS)-MCU solvent to increase the cesium decontamination factor. To support this integration of NGS into the MCU facility the Savannah River National Laboratory (SRNL) performed testing of a blend of the NGS (MaxCalix based solvent) with the current solvent (BOBCalixC6 based solvent) for the removal of cesium (Cs) from the liquid salt waste stream. This testing utilized a blend of BOBCalixC6 based solvent and the NGS with the new extractant, MaxCalix, as well as a new suppressor, tris(3,7dimethyloctyl) guanidine. Single stage tests were conducted using the full size V-05 and V-10 liquid-to-liquid centrifugal contactors installed at SRNL. These tests were designed to determine the mass transfer and hydraulic characteristics with the NGS solvent blended with the projected heel of the BOBCalixC6 based solvent that will exist in MCU at time of transition. The test program evaluated the amount of organic carryover and the droplet size of the organic carryover phases using several analytical methods. The results indicate that hydraulically, the NGS solvent performed hydraulically similar to the current solvent which was expected. For the organic carryover 93% of the solvent is predicted to be recovered from the stripping operation and 96% from the extraction operation. As for the mass transfer, the NGS solvent significantly improved the cesium DF by at least an order of magnitude when extrapolating the One-stage results to actual Seven-stage extraction operation with a stage efficiency of 95%.

  12. Non-ideality by sedimentation velocity of halophilic malate dehydrogenase in complex solvents.

    PubMed Central

    Solovyova, A; Schuck, P; Costenaro, L; Ebel, C

    2001-01-01

    We have investigated the potential of sedimentation velocity analytical ultracentrifugation for the measurement of the second virial coefficients of proteins, with the goal of developing a method that allows efficient screening of different solvent conditions. This may be useful for the study of protein crystallization. Macromolecular concentration distributions were modeled using the Lamm equation with the approximation of linear concentration dependencies of the diffusion constant, D = D(o) (1 + k(D)c), and the reciprocal sedimentation coefficient s = s(o)/(1 + k(s)c). We have studied model distributions for their information content with respect to the particle and its non-ideal behavior, developed a strategy for their analysis by direct boundary modeling, and applied it to data from sedimentation velocity experiments on halophilic malate dehydrogenase in complex aqueous solvents containing sodium chloride and 2-methyl-2,4-pentanediol, including conditions near phase separation. Using global modeling for three sets of data obtained at three different protein concentrations, very good estimates for k(s) and s degrees and also for D degrees and the buoyant molar mass were obtained. It was also possible to obtain good estimates for k(D) and the second virial coefficients. Modeling of sedimentation velocity profiles with the non-ideal Lamm equation appears as a good technique to investigate weak inter-particle interactions in complex solvents and also to extrapolate the ideal behavior of the particle. PMID:11566761

  13. Solvation of Nucleosides in Aqueous Mixtures of Organic Solvents: Relevance to DNA Open Basepairs

    PubMed Central

    Ababneh, Anas M.; Large, C. C.; Georghiou, S.

    2003-01-01

    Toward the goal of understanding how open basepairs in DNA interact with their heterogeneous environment, we have studied the steady-state intrinsic fluorescence properties of the purine and pyrimidine deoxynucleosides in organic solvents in the presence of small amounts of water. The organic solvents used in the present study were: n-butanol, acetonitrile, methanol, n-propanol, isopropanol, and isobutanol. For n-butanol and acetonitrile, which have a high degree of amphiphilicity and weak hydrogen bonding ability, respectively, the fluorescence spectral properties of the purines are found to depend on the sequence of steps in which the aqueous mixtures were formed. By contrast, no such dependence was observed in the mixtures with any of the other solvents used in the present study. Moreover, no such dependence was observed for the pyrimidines. These findings suggest that the final solvation network around the purines is dependent on the nature of the environment to which they were initially exposed. This would tend to present an impediment to the closing of AT or GC basepairs in DNA that become open as a result of structural fluctuations, DNA bending, or protein-DNA interactions. PMID:12885656

  14. Experimental solution thermodynamics of a ternary solvent/polymer/solvent system by inverse gas chromatography / by Dominic Wai Wah Ching 

    E-print Network

    Ching, Dominic Wai Wah

    1978-01-01

    38 39 INTRODUCTION Many polymers which are not readily soluble in a single solvent can be processed in a mixture of solvents. In addition, many polymers with desirable high-temperature properties must be processed in strongly acidic solvents... x12 2 ~) + ? + (~ x + ~ x )(~+a ) 2 x12 y 2 12 3 1$ 2 32 of the cohesive-energy density. If a polymer and a series of solvents have similar polarity, the polymer is soluble only in those solvents whose cohesive-energy density is not too...

  15. Solvent effects on infrared spectroscopy of 17?-hydroxy-17-methyl-2-oxa-5?-androstan-3-one in single solvents

    NASA Astrophysics Data System (ADS)

    Liu, Qing; Liu, Yaqin; Zhang, Hui; Wen, Zhengru

    2006-09-01

    Infrared spectroscopy studies of 17?-hydroxy-17-methyl-2-oxa-5?-androstan-3-one (HMOA) in 20 different pure organic solvents were undertaken to investigate the solute-solvent interactions and to correlate solvent properties, such as the KBM equation, the solvent acceptor number (AN), Schleyer's linear free energy equation ( G-value), Dimroth and Reichardt's parameter ET(30) and Brownstein's parameter S with the frequency shifts of the carbonyl stretching vibration for solute. The result indicated that the KBM relationship is unsuitable to the complicated molecules. These frequencies exhibited a better correlation with the solvent parameters AN and G-value than others.

  16. Definition and determination of the triplet-triplet energy transfer reaction coordinate

    SciTech Connect

    Zapata, Felipe; Marazzi, Marco; Castaño, Obis; Frutos, Luis Manuel, E-mail: luisma.frutos@uah.es [Departamento de Química Física, Universidad de Alcalá, 28871 Alcalá de Henares, Madrid (Spain); Acuña, A. Ulises [Instituto de Química Física “Rocasolano”, C.S.I.C., Serrano 119, 28006 Madrid (Spain)] [Instituto de Química Física “Rocasolano”, C.S.I.C., Serrano 119, 28006 Madrid (Spain)

    2014-01-21

    A definition of the triplet-triplet energy transfer reaction coordinate within the very weak electronic coupling limit is proposed, and a novel theoretical formalism is developed for its quantitative determination in terms of internal coordinates The present formalism permits (i) the separation of donor and acceptor contributions to the reaction coordinate, (ii) the identification of the intrinsic role of donor and acceptor in the triplet energy transfer process, and (iii) the quantification of the effect of every internal coordinate on the transfer process. This formalism is general and can be applied to classical as well as to nonvertical triplet energy transfer processes. The utility of the novel formalism is demonstrated here by its application to the paradigm of nonvertical triplet-triplet energy transfer involving cis-stilbene as acceptor molecule. In this way the effect of each internal molecular coordinate in promoting the transfer rate, from triplet donors in the low and high-energy limit, could be analyzed in detail.

  17. 15 CFR 923.56 - Plan coordination.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...COASTAL RESOURCE MANAGEMENT COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Coordination, Public Involvement and National Interest § 923.56 Plan coordination. (a) The management program must be coordinated with local, areawide,...

  18. 15 CFR 923.56 - Plan coordination.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...COASTAL RESOURCE MANAGEMENT COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Coordination, Public Involvement and National Interest § 923.56 Plan coordination. (a) The management program must be coordinated with local, areawide,...

  19. 15 CFR 923.56 - Plan coordination.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...COASTAL RESOURCE MANAGEMENT COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Coordination, Public Involvement and National Interest § 923.56 Plan coordination. (a) The management program must be coordinated with local, areawide,...

  20. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...2011-10-01 2011-10-01 false Frequency coordination. 80.513 Section 80...Marine Utility Stations § 80.513 Frequency coordination. (a) Except as...located in an area having a recognized frequency coordinating committee must be...

  1. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...2010-10-01 2010-10-01 false Frequency coordination. 80.513 Section 80...Marine Utility Stations § 80.513 Frequency coordination. (a) Except as...located in an area having a recognized frequency coordinating committee must be...

  2. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ...2013-10-01 2013-10-01 false Frequency coordination. 80.513 Section 80...Marine Utility Stations § 80.513 Frequency coordination. (a) Except as...located in an area having a recognized frequency coordinating committee must be...

  3. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ...2012-10-01 2012-10-01 false Frequency coordination. 80.513 Section 80...Marine Utility Stations § 80.513 Frequency coordination. (a) Except as...located in an area having a recognized frequency coordinating committee must be...

  4. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ...2014-10-01 2014-10-01 false Frequency coordination. 80.513 Section 80...Marine Utility Stations § 80.513 Frequency coordination. (a) Except as...located in an area having a recognized frequency coordinating committee must be...

  5. Conformational behavior of pyrazine-bridged and mixed-bridged cavitands: a general model for solvent effects on thermal "vase-kite" switching.

    PubMed

    Roncucci, Pamela; Pirondini, Laura; Paderni, Giuseppe; Massera, Chiara; Dalcanale, Enrico; Azov, Vladimir A; Diederich, François

    2006-06-14

    The controllable switching of suitably bridged resorcin[4]arene cavitands between a "vase" conformation, with a cavity capable of guest inclusion, and a "kite" conformation, featuring an extended flattened surface, provides the basis for ongoing developments of dynamic molecular receptors, sensors, and molecular machines. This paper describes the synthesis, X-ray crystallographic characterization, and NMR analysis of the "vase-kite" switching behavior of a fully pyrazine-bridged cavitand and five other mixed-bridged quinoxaline-bridged cavitands with one methylene, phosphonate, or phosphate bridge. The pyrazine-bridged resorcin[4]arene cavitand displayed an unexpectedly high preference for the kite conformation in nonpolar solvents, relative to the quinoxaline-bridged analogue. This observation led to extensive solvent-dependent switching studies that provide a detailed picture of how solvent affects the thermal vase-kite equilibration. As for any thermodynamic process in the liquid phase, the conformational equilibrium is affected by how the solvent stabilizes the two individual states. Suitably sized solvents (benzene and derivatives) solvate the cavity of the vase form and reduce the propensity for the vase-to-kite transition. Correspondingly, the kite geometry becomes preferred in bulky solvents such as mesitylene, incapable of penetrating the vase cavity. As proposed earlier by Cram, the kite form is preferred at low temperatures due to the more favorable enthalpy of solvation of the enlarged surface. Furthermore, the kite conformation is more preferred in solvents with substantial hydrogen-bonding acidity: weak hydrogen-bonding interactions between the mildly basic quinoxaline and pyrazine nitrogen atoms and solvent molecules are more efficient in the open kite than in the closed vase form. Vase-to-kite conversion is entirely absent in dipolar aprotic solvents lacking any H-bonding acidity. Thermal vase-kite switching requires fully quinoxaline- or pyrazine-bridged cavitands, whereas pH-controlled switching is also applicable to systems incorporating only two or three such bridges. PMID:16671048

  6. Coordinated Control of HVAC Systems

    E-print Network

    Federspiel, C.; Lanning, S. D.; Li, H.; Auslander, D. M.

    2001-01-01

    Coordinated Control of HVAC Systems Clifford C. Federspiel Sasha Diane Lanning Huilin Li David M. Auslander Center for Environmental Design Research and Department of Mechanical Engineering University of California, Berkeley ABSTRACT This paper...

  7. Electron transfer dissociation of dipositive uranyl and plutonyl coordination complexes.

    PubMed

    Rios, Daniel; Rutkowski, Philip X; Shuh, David K; Bray, Travis H; Gibson, John K; Van Stipdonk, Michael J

    2011-12-01

    Reported here is a comparison of electron transfer dissociation (ETD) and collision-induced dissociation (CID) of solvent-coordinated dipositive uranyl and plutonyl ions generated by electrospray ionization. Fundamental differences between the ETD and CID processes are apparent, as are differences between the intrinsic chemistries of uranyl and plutonyl. Reduction of both charge and oxidation state, which is inherent in ETD activation of [An(VI) O(2) (CH(3) COCH(3) )(4) ](2+) , [An(VI) O(2) (CH(3) CN)(4) ](2) , [U(VI) O(2) (CH(3) COCH(3) )(5) ](2+) and [U(VI) O(2) (CH(3) CN)(5) ](2+) (An?=?U or Pu), is accompanied by ligand loss. Resulting low-coordinate uranyl(V) complexes add O(2) , whereas plutonyl(V) complexes do not. In contrast, CID of the same complexes generates predominantly doubly-charged products through loss of coordinating ligands. Singly-charged CID products of [U(VI) O(2) (CH(3) COCH(3) )(4,5) ](2+) , [U(VI) O(2) (CH(3) CN)(4,5) ](2+) and [Pu(VI) O(2) (CH(3) CN)(4) ](2+) retain the hexavalent metal oxidation state with the addition of hydroxide or acetone enolate anion ligands. However, CID of [Pu(VI) O(2) (CH(3) COCH(3) )(4) ](2+) generates monopositive plutonyl(V) complexes, reflecting relatively more facile reduction of Pu(VI) to Pu(V). PMID:22223415

  8. Dynamic structural transformations of coordination supramolecular systems upon exogenous stimulation.

    PubMed

    Li, Cheng-Peng; Chen, Jing; Liu, Chun-Sen; Du, Miao

    2015-02-18

    Reactions in the solid state, especially single-crystal-to-single-crystal (SC-SC) transformations, provide an appealing pathway to obtain target crystalline materials with modified properties via a solvent-free green chemistry approach. This feature article focuses on the progress to date in the context of coordination supramolecular systems (CSSs), especially coordination polymers (CPs) or metal-organic frameworks (MOFs), which show interesting dynamic natures upon exposure to various exogenous stimuli, including concentration, temperature, light and mechanical force, as well as their synergic effect. In essence, dynamic CSSs normally possess crucial crystalline-reactive characteristics: (i) metal ions or clusters with unstable or metastable electronic configurations and coordination geometries; (ii) organic ligands bearing physicochemically active functional groups for subsequent reactions; (iii) polymeric networks of high flexibility for structural bending, rotation, swelling, or shrinking; (iv) guest moieties to be freely exchanged or eliminated by varying the environmental conditions. The significant changes in catalytic, sorption, magnetic, or luminescent properties accompanied by the structural transformations will also be discussed, which reveal the proof-of-concept thereof in designing new functional crystalline materials. PMID:25501443

  9. HTHP: a novel class of hexameric, tyrosine-coordinated heme proteins.

    PubMed

    Jeoung, Jae-Hun; Pippig, Diana A; Martins, Berta M; Wagener, Nadine; Dobbek, Holger

    2007-05-11

    We have cloned, expressed, isolated and characterized a hexameric tyrosine-coordinated heme protein (HTHP) from the marine bacterium Silicibacter pomeroyi. HTHP shows peroxidase and catalase activity and has a high thermal stability. As-isolated HTHP has absorption maxima at 407, 495, 504, 532 and 622 nm wavelength. Upon reduction maxima at 430, 564 and 596 nm wavelength are discernible. The crystal structure of HTHP reveals a hexameric, ring-like arrangement of six monomers. Each monomer binds a solvent accessible heme group, which is stabilized by the interaction of three neighboring monomers. The pocket around the heme distal side is positively charged due to three conserved arginine residues in direct vicinity. The heme iron is penta-coordinated with a tyrosine residue as proximal ligand. The coordinating hydroxyl-group of the tyrosine ligand interacts with the guanidinium group of a nearby arginine residue, an arrangement closely resembling the catalytic dyad found in monofunctional heme-containing catalases and coral allene oxide synthases, which are b-type cytochromes with tyrosine coordination trans to an empty coordination site. Despite the similarity in heme coordination HTHP is functionally and structurally unrelated to catalases and other heme-containing proteins. Its hexameric arrangement, solvent accessible heme binding pocket and heme coordination by tyrosine render HTHP a unique protein with unusual properties. A database search against complete and incomplete genomes shows that the 76 amino acid residues sequence of HTHP is unrelated to characterized proteins, but is homologous to orfs found in a phylogenetically diverse set of bacteria with sequence identities of 30-76%. We therefore propose that HTHP is the prototype of a new class of heme proteins. PMID:17395199

  10. Cation coordination in oxychloride glasses

    Microsoft Academic Search

    J. A. Johnson; D. Holland; J. Bland; C. E. Johnson; M. F. Thomas

    2003-01-01

    Glasses containing mixtures of cations and anions of nominal compositions [Sb2O3]x - [ZnCl2]1-x where x = 0.25, 0.50, 0.75, and 1.00, have been studied by means of neutron diffraction and Raman and Mössbauer spectroscopy. There is preferential bonding within the system with the absence of Sb-Cl bonds. Antimony is found to be threefold coordinated to oxygen, and zinc fourfold coordinated.

  11. Cation coordination in oxychloride glasses

    Microsoft Academic Search

    J A Johnson; D Holland; J Bland; C E Johnson; M F Thomas

    2003-01-01

    Glasses containing mixtures of cations and anions of nominal compositions [Sb2O3]x – [ZnCl2]1?x where x = 0.25, 0.50, 0.75, and 1.00, have been studied by means of neutron diffraction and Raman and Mössbauer spectroscopy. There is preferential bonding within the system with the absence of Sb–Cl bonds. Antimony is found to be threefold coordinated to oxygen, and zinc fourfold coordinated.

  12. Triplet Thermal Relaxation Study as a Probe of Weak Interdimers of Porphyrin Derivatives

    NASA Astrophysics Data System (ADS)

    Wróbel, D.; Biadasz, A.; Bursa, B.

    2012-04-01

    This article deals with results concerning the study of interacting dyes which are able to create weak interdimers. Two groups of organic systems: phthalocyanines (di-ethanol-amine and di-octane-amine) and pyridyl porphyrins (zinc, copper, and free-base) covalently linked to polyethylene glycol (PEG) in water and organic solvents (dioxane, dimethylsulfoxide) were investigated. Absorption, fluorescence, and photoacoustics were used as experimental methods but particular attention was paid to light-induced optoacoustic spectroscopy to follow the dye's triplet population and triplet thermal relaxation to study intermolecular interactions. It has been shown that even the weak interactions of the organic dyes under study is not detectable by absorption and only slightly by fluorescence is it possible to follow interactions by complementary photothermal methods. The results obtained for selected phthalocyanines and covalent porphyrin-polymer samples evidently show that the light-induced optoacoustic experiment is a perfect tool in the detection of weakly interacting aggregates.

  13. Inversion processing: Image point coordinates to surface coordinates 1 Migration/Inversion

    E-print Network

    Bleistein, Norman

    Inversion processing: Image point coordinates to surface coordinates 1 Migration/Inversion: Think Image Point Coordinates, Process in Acquisition Surface Coordinates Norman Bleistein,1 Yu Zhang,2 Sheng/inversion (M/I) processes: think image point coordinates; compute in surface coordinates. This principle allows

  14. Revised Coordinates for Apollo Hardware

    NASA Astrophysics Data System (ADS)

    Wagner, R. V.; Speyerer, E. J.; Burns, K. N.; Danton, J.; Robinson, M. S.

    2012-08-01

    The Narrow Angle Camera (NAC) on the Lunar Reconnaissance Orbiter provides direct imaging, at pixel scales of 0.5 to 1.0 meter, of anthropogenic equipment left on the Moon. We identified the descent stages of the lunar modules, central stations of the Apollo Lunar Surface Experiments Package, Laser Ranging Retroreflectors (LRRRs), and Lunar Roving Vehicles in each NAC image of the Apollo landing sites. The pixel coordinates of those objects were then converted to latitude and longitude coordinates using SPICE routines in the U.S. Geological Survey Integrated System for Imagers and Spectrometers. For images that contained an LRRR, pointing information was updated to match the well known LRRR coordinates. Final coordinates for each object are reported as averages from multiple images. NAC observations allow refinement of the locations of these objects and result in a more accurate geodetic referencing at these historic sites. Additionally, the anthropogenic coordinate analysis enables realistic error estimates for NAC derived coordinates for features anywhere on the Moon.

  15. Refractive index measured by laser beam displacement at {lambda}=1064 nm for solvents and deuterated solvents

    SciTech Connect

    Shelton, David P.

    2011-07-20

    The refractive index of a liquid is determined with 0.0003 accuracy from measurements of laser beam displacement by a liquid-filled standard 10 mm spectrophotometer cell. The apparatus and methods are described and the results of measurements at {lambda}=1064 nm and T=25.0 deg. C for 30 solvents and deuterated solvents are presented. Several sources of potential systematic errors as large as 0.003 are identified, the most important being the curvature of the liquid cell windows. The measurements are analyzed accounting for the significant imperfections of the apparatus.

  16. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... SAFETY AND SPECIAL RADIO SERVICES AVIATION...Stations § 87.305 Frequency coordination. ...responsible Government Area Frequency Coordinators listed in...Procedures for Federal Radio Frequency Management.”...

  17. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... SAFETY AND SPECIAL RADIO SERVICES AVIATION...Stations § 87.305 Frequency coordination. ...responsible Government Area Frequency Coordinators listed in...Procedures for Federal Radio Frequency Management.”...

  18. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... SAFETY AND SPECIAL RADIO SERVICES AVIATION...Stations § 87.305 Frequency coordination. ...responsible Government Area Frequency Coordinators listed in...Procedures for Federal Radio Frequency Management.”...

  19. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... SAFETY AND SPECIAL RADIO SERVICES AVIATION...Stations § 87.305 Frequency coordination. ...responsible Government Area Frequency Coordinators listed in...Procedures for Federal Radio Frequency Management.”...

  20. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... SAFETY AND SPECIAL RADIO SERVICES AVIATION...Stations § 87.305 Frequency coordination. ...responsible Government Area Frequency Coordinators listed in...Procedures for Federal Radio Frequency Management.”...

  1. Low-overhead distributed transaction coordination

    E-print Network

    Cowling, James (James Alexander)

    2012-01-01

    This thesis presents Granola, a transaction coordination infrastructure for building reliable distributed storage applications. Granola provides a strong consistency model, while significantly reducing transaction coordination ...

  2. Overdamping by weakly coupled environments

    SciTech Connect

    Esposito, Massimiliano; Haake, Fritz [Center for Nonlinear Phenomena and Complex Systems, Universite Libre de Bruxelles, Code Postal 231, Campus Plaine, B-1050 Brussels (Belgium); Fachbereich Physik, Universitaet Duisburg-Essen, 45117 Essen (Germany)

    2005-12-15

    A quantum system weakly interacting with a fast environment usually undergoes a relaxation with complex frequencies whose imaginary parts are damping rates quadratic in the coupling to the environment in accord with Fermi's 'golden rule'. We show for various models (spin damped by harmonic-oscillator or random-matrix baths, quantum diffusion, and quantum Brownian motion) that upon increasing the coupling up to a critical value still small enough to allow for weak-coupling Markovian master equations, a different relaxation regime can occur. In that regime, complex frequencies lose their real parts such that the process becomes overdamped. Our results call into question the standard belief that overdamping is exclusively a strong coupling feature.

  3. Weak Coupling in 143Nd

    NASA Astrophysics Data System (ADS)

    Zhou, Xiao-Hong; E, Ideguchi; T, Kishida; M, Ishihara; H, Tsuchida; Y, Gono; T, Morikawa; M, Shibata; H, Watanabe; M, Miyake; T, Tsutsumi; S, Motomura; S, Mitarai

    2000-04-01

    The high-spin states of 143Nd have been studied in the 130Te(18O, 5n)143Nd reaction at a beam energy of 80 MeV using techniques of in-beam ?-ray spectroscopy. Measurements of ? - ? - t coincidences, ?-ray angular distributions, and ?-ray linear polarizations were performed. A level scheme of 143Nd with spin and parity assignments up to 53/2+ is proposed. While a weak coupling model can explain the level structure up to the J?=39/2- state, this model can not reproduce the higher-lying states. Additionally, a new low-lying non-yrast level sequence in 143Nd was observed in the present work, which can be well described by the weak coupling of an i13/2 neutron to the 142Nd core nucleus.

  4. Quark mixing in weak interactions

    Microsoft Academic Search

    Ling-Lie Chau

    1983-01-01

    The status of the quark mixing in weak interaction is reviewed. The 3×3 quark mixing matrix for the three left-handed doublet model is analyzed using various experimental information involving strange, charmed, and b-flavored particles. Its interplay with nonleptonic decays, implication on neutral particle-antiparticle mixing and CP violation in heavy quark systems, and the possible origin of the quark mixing from

  5. Functional weakness and sensory disturbance

    PubMed Central

    Stone, J; Zeman, A; Sharpe, M

    2002-01-01

    In the diagnosis of functional weakness and sensory disturbance, positive physical signs are as important as absence of signs of disease. Motor signs, particularly Hoover's sign, are more reliable than sensory signs, but none should be used in isolation and must be interpreted in the overall context of the presentation. It should be borne in mind that a patient may have both a functional and an organic disorder. PMID:12185152

  6. A Weakly Intuitionistic Quantum Logic

    E-print Network

    Ronnie Hermens

    2010-09-23

    In this paper we motivate and study the possibility of an intuitionistic quantum logic. An explicit investigation of the application of the theory of Bruns and Lakser on distributive hulls on traditional quantum logic (as suggested in [Coe]) leads us to a small modification of this scheme. In this way we obtain a weak Heyting algebra (cf. [CJ]) for describing the language of quantum mechanics.

  7. Weak Laws in Geometric Probability

    Microsoft Academic Search

    Mathew D. Penrose; J. E. Yukich

    2001-01-01

    Using a coupling argument, we establish a general weak law of large numbers\\u000afor functionals of binomial point processes in d-dimensional space, with a\\u000alimit that depends explicitly on the (possibly non-uniform) density of the\\u000apoint process. The general result is applied to the minimal spanning tree, the\\u000ak-nearest neighbors graph, the Voronoi graph, and the sphere of influence\\u000agraph.

  8. Nonflammable, Nonaqueous, Low Atmospheric Impact, High Performance Cleaning Solvents

    NASA Technical Reports Server (NTRS)

    Dhooge, P. M.; Glass, S. M.; Nimitz, J. S.

    2001-01-01

    For many years, chlorofluorocarbon (CFC) and chlorocarbon solvents have played an important part in aerospace operations. These solvents found extensive use as cleaning and analysis (EPA) solvents in precision and critical cleaning. However, CFCs and chlorocarbon solvents have deleterious effects on the ozone layer, are relatively strong greenhouse gases, and some are suspect or known carcinogens. Because of their ozone-depletion potential (ODP), the Montreal Protocol and its amendments, as well as other environmental regulations, have resulted in the phaseout of CFC-113 and 1,1,1-trichloroethane (TCA). Although alternatives have been recommended, they do not perform as well as the original solvents. In addition, some analyses, such as the infrared analysis of extracted hydrocarbons, cannot be performed with the substitute solvents that contain C-H bonds. CFC-113 solvent has been used for many critical aerospace applications. CFC-113, also known as Freon (registered) TF, has been used extensively in NASA's cleaning facilities for precision and critical cleaning, in particular the final rinsing in Class 100 areas, with gas chromatography analysis of rinse residue. While some cleaning can be accomplished by other processes, there are certain critical applications where CFC-113 or a similar solvent is highly cost-effective and ensures safety. Oxygen system components are one example where a solvent compatible with oxygen and capable of removing fluorocarbon grease is needed. Electronic components and precision mechanical components can also be damaged by aggressive cleaning solvents.

  9. Effects of solvent on percutaneous absorption of nonvolatile lipophilic solute.

    PubMed

    Intarakumhaeng, Rattikorn; Li, S Kevin

    2014-12-10

    Understanding the effects of solvents upon percutaneous absorption can improve drug delivery across skin and allow better risk assessment of toxic compound exposure. The objective of the present study was to examine the effects of solvents upon the deposition of a moderately lipophilic solute at a low dose in the stratum corneum (SC) that could influence skin absorption of the solute after topical application. Skin permeation experiments were performed using Franz diffusion cells and human epidermal membrane (HEM). Radiolabeled corticosterone ((3)H-CS) was the model permeant. The solvents used had different evaporation and skin penetration properties that were expected to impact skin deposition of CS and its absorption across skin. The results show no correlation between the rate of absorption of the permeant and the rate of solvent evaporation/penetration with ethanol, hexane, isopropanol, and butanol as the solvent; all of these solvents have fast evaporation rates (complete evaporation in <30 min after application). This suggests no differences in solvent-induced deposition of CS in the SC for the fast-evaporating solvents. The results of these fast-evaporating solvents were different from those of water, propylene glycol, and polyethylene glycol 400, that a relationship between permeant absorption and the rate of solvent evaporation was observed. PMID:25261711

  10. General strong conservation formulation of Navier-Stokes equations in nonorthogonal curvilinear coordinates

    Microsoft Academic Search

    H. Q. Yang; Sami D. Habchi; Andrzej J. Przekwas

    1994-01-01

    The selection of primary dependent variables for the solution of Navier-Stokes equations in the curvilinear body-fitted coordinates is still an unsettled issue. Reported formulations with primitive variables involve contravariant velocity components, Cartesian components, and velocity projections, also known as resolutes. Most of the formulations result in a weak conservation form of the momentum equations which contain grid line curvature- and

  11. Detectability of dynamical coupling from delay-coordinate embedding of scalar time series

    E-print Network

    Lai, Ying-Cheng

    Detectability of dynamical coupling from delay-coordinate embedding of scalar time series Ying between chaotic systems can be detected reliably from scalar time series. In particular, we study weakly relates the necessary length of the time series to a key parameter of the system: the coupling strength

  12. Reducing Systematic Error in Weak Lensing Cluster Surveys

    NASA Astrophysics Data System (ADS)

    Utsumi, Yousuke; Miyazaki, Satoshi; Geller, Margaret J.; Dell'Antonio, Ian P.; Oguri, Masamune; Kurtz, Michael J.; Hamana, Takashi; Fabricant, Daniel G.

    2014-05-01

    Weak lensing provides an important route toward collecting samples of clusters of galaxies selected by mass. Subtle systematic errors in image reduction can compromise the power of this technique. We use the B-mode signal to quantify this systematic error and to test methods for reducing this error. We show that two procedures are efficient in suppressing systematic error in the B-mode: (1) refinement of the mosaic CCD warping procedure to conform to absolute celestial coordinates and (2) truncation of the smoothing procedure on a scale of 10'. Application of these procedures reduces the systematic error to 20% of its original amplitude. We provide an analytic expression for the distribution of the highest peaks in noise maps that can be used to estimate the fraction of false peaks in the weak-lensing ?-signal-to-noise ratio (S/N) maps as a function of the detection threshold. Based on this analysis, we select a threshold S/N = 4.56 for identifying an uncontaminated set of weak-lensing peaks in two test fields covering a total area of ~3 deg2. Taken together these fields contain seven peaks above the threshold. Among these, six are probable systems of galaxies and one is a superposition. We confirm the reliability of these peaks with dense redshift surveys, X-ray, and imaging observations. The systematic error reduction procedures we apply are general and can be applied to future large-area weak-lensing surveys. Our high-peak analysis suggests that with an S/N threshold of 4.5, there should be only 2.7 spurious weak-lensing peaks even in an area of 1000 deg2, where we expect ~2000 peaks based on our Subaru fields. Based in part on data collected at Subaru Telescope and obtained from the SMOKA, which is operated by the Astronomy Data Center, National Astronomical Observatory of Japan.

  13. Scenarios Evaluation Tool for Chlorinated Solvent MNA

    SciTech Connect

    Vangelas, Karen; Michael J. Truex; Charles J. Newell; Brian Looney

    2007-02-28

    Over the past three decades, much progress has been made in the remediation of chlorinated solvents from the subsurface. Yet these pervasive contaminants continue to present a significant challenge to the U.S. Department of Energy (DOE), other federal agencies, and other public and private organizations. The physical and chemical properties of chlorinated solvents make it difficult to rapidly reach the low concentrations typically set as regulatory limits. These technical challenges often result in high costs and long remediation time frames. In 2003, the DOE through the Office of Environmental Management funded a science-based technical project that uses the U.S. Environmental Protection Agency's technical protocol (EPA, 1998) and directives (EPA, 1999) on Monitored Natural Attenuation (MNA) as the foundation on which to introduce supporting concepts and new scientific developments that will support remediation of chlorinated solvents based on natural attenuation processes. This project supports the direction in which many site owners want to move to complete the remediation of their site(s), that being to complete the active treatment portion of the remedial effort and transition into MNA. The overarching objective of the effort was to examine environmental remedies that are based on natural processes--remedies such as Monitored Natural Attenuation (MNA) or Enhanced Attenuation (EA). The research program did identify several specific opportunities for advances based on: (1) mass balance as the central framework for attenuation based remedies, (2) scientific advancements and achievements during the past ten years, (3) regulatory and policy development and real-world experience using MNA, and (4) exploration of various ideas for integrating attenuation remedies into a systematic set of ''combined remedies'' for contaminated sites. These opportunities are summarized herein and are addressed in more detail in referenced project documents and journal articles, as well as in the technical and regulatory documents being developed within the ITRC.

  14. The Weak Scale from BBN

    E-print Network

    Lawrence J. Hall; David Pinner; Joshua T. Ruderman

    2014-09-01

    The measured values of the weak scale, $v$, and the first generation masses, $m_{u,d,e}$, are simultaneously explained in the multiverse, with all these parameters scanning independently. At the same time, several remarkable coincidences are understood. Small variations in these parameters away from their measured values lead to the instability of hydrogen, the instability of heavy nuclei, and either a hydrogen or a helium dominated universe from Big Bang Nucleosynthesis. In the 4d parameter space of $(m_u,m_d,m_e,v)$, catastrophic boundaries are reached by separately increasing each parameter above its measured value by a factor of $(1.4,1.3,2.5,\\sim5)$, respectively. The fine-tuning problem of the weak scale in the Standard Model is solved: as $v$ is increased beyond the observed value, it is impossible to maintain a significant cosmological hydrogen abundance for any values of $m_{u,d,e}$ that yield both hydrogen and heavy nuclei stability. For very large values of $v$ a new regime is entered where weak interactions freeze out before the QCD phase transition. The helium abundance becomes independent of $v$ and is determined by the cosmic baryon and lepton asymmetries. To maintain our explanation of $v$ from the anthropic cost of helium dominance then requires universes with such large $v$ to be rare in the multiverse. Implications of this are explored, including the possibility that new physics below 10 TeV cuts off the fine-tuning in $v$.

  15. Cosmology with Weak Lensing Surveys

    E-print Network

    Dipak Munshi; Patrick Valageas

    2005-09-27

    Weak gravitational lensing surveys measure the distortion of the image of distant sources due to the deflections of light rays by the fluctuations of the gravitational potential along the line of sight. Since they probe the non-linear matter power spectrum itself at medium redshift such surveys are complimentary to both galaxy surveys (which follow stellar light) and cosmic microwave background observations (which probe the linear regime at high redshift). Ongoing CMB experiments such as WMAP and the future Planck satellite mission will measure the standard cosmological parameters with unprecedented accuracy. The focus of attention will then shift to understanding the nature of dark matter and vacuum energy: several recent studies suggest that lensing is the best method for constraining the dark energy equation of state. During the next 5 year period ongoing and future weak lensing surveys such as the Joint Dark Energy Mission (JDEM, e.g. SNAP) or the Large-aperture Synoptic Survey Telescope (LSST) will play a major role in advancing our understanding of the universe in this direction. In this review article we describe various aspects of weak lensing surveys and how they can help us in understanding our universe.

  16. Membrane separation of hydrocarbons using cycloparaffinic solvents

    DOEpatents

    Kulkarni, S.S.; Chang, Y.A.; Gatsis, J.G.; Funk, E.W.

    1988-06-14

    Heavy crude oils which contain metal contaminants such as nickel, vanadium and iron may be separated from light hydrocarbon oils by passing a solution of the crude oil dissolved in a cycloparaffinic hydrocarbon solvent containing from about 5 to about 8 carbon atoms by passing through a polymeric membrane which is capable of maintaining its integrity in the presence of hydrocarbon compounds. The light hydrocarbon oils which possess relatively low molecular weights will be recovered as the permeate while the heavy oils which possess relatively high molecular weights as well as the metal contaminants will be recovered as the retentate.

  17. Polymer translocation induced by bad solvent

    NASA Astrophysics Data System (ADS)

    Lorscher, Christopher; Bhattacharya, Aniket; Ala-Nissila, Tapio

    2009-03-01

    We report Langevin dynamics simulation studies of a translocating homopolymer through a nano pore induced by different existing solvent conditions at the cis and trans compartments of the pore. Specifically, we study the mean first passage time as a function of the chain length N and determine the scaling exponent ˜N^?. We also look at the mean force experienced by the chain and its conformations as a function of the translocated segments. Our studies also reveal detail picture of the translocation process which may provide insights relevant for the entry of a DNA into a host cell.

  18. Solvent extraction of metals with hydroxamic acids.

    PubMed

    Vernon, F; Khorassani, J H

    1978-07-01

    Solvent extraction with hydroxamic acids has been investigated. with comparison of aliphatic and aromatic reagents for the extraction of iron, copper, cobalt and nickel. Caprylohydroxamic acid has been evaluated for use in extraction systems for titanium, vanadium, chromium, molybdenum and uranium, both in terms of acidity of aqueous phase and oxidation state of the metal. It has been established that caprylohydroxamic acid in 1-hexanol is a suitable extractant for the removal of titanium(IV), vanadium(V), chromium(VI), molybdenum(VI) and uranium(VI) from 6M hydrochloric acid. PMID:18962288

  19. Binding weakly interacting partners: a study of Ca-He2 and its isotopomers

    NASA Astrophysics Data System (ADS)

    López-Durán, D.; Rodríguez-Cantano, R.; González-Lezana, T.; Delgado-Barrio, G.; Villarreal, P.; Gianturco, F. A.

    2012-07-01

    We present in this paper binding energies and structures of non-rotating weakly bound 40Ca- n He2 triatomic complexes. Two kind of systems are discussed: bosonic ( n = 4) and fermionic ( n = 3) complexes at its singlet state (nuclear spin S = 0). Three different coordinate systems and methods have been used to solve the relevant Schrödinger equation: variational calculations (1) using satellite coordinates and a discrete variable representation of radial functions; (2) employing pair coordinates and products of distributed Gaussian functions as basis functions; and (3) variational/Diffusion Monte Carlo calculations in Cartesian coordinates. The potential energy surface is represented as the addition of pair potentials. By using the most realistic interaction between each pair of particles, present results from the three methods are in fair agreement. Only two bound states for each system are found in our computations.

  20. Genetic Variation in Metabolic Genes, Occupational Solvent Exposure, and Risk of Non-Hodgkin Lymphoma

    PubMed Central

    Barry, Kathryn Hughes; Zhang, Yawei; Lan, Qing; Zahm, Shelia Hoar; Holford, Theodore R.; Leaderer, Brian; Boyle, Peter; Hosgood, H. Dean; Chanock, Stephen; Yeager, Meredith; Rothman, Nathaniel; Zheng, Tongzhang

    2011-01-01

    Using 1996–2000 data among Connecticut women, the authors evaluated whether genetic variation in 4 metabolic genes modifies organic solvent associations with non-Hodgkin lymphoma and 5 major histologic subtypes. Pinteraction values were determined from cross-product terms between dichotomous (ever/never) solvent variables and genotypes at examined loci in unconditional logistic regression models. The false discovery rate method was used to account for multiple comparisons. Overall associations between the chlorinated solvents dichloromethane (odds ratio (OR) = 1.69, 95% confidence interval (CI): 1.06, 2.69), carbon tetrachloride (OR = 2.33, 95% CI: 1.23, 4.40), and methyl chloride (OR = 1.44, 95% CI: 0.94, 2.20) and total non-Hodgkin lymphoma were increased among women TT for rs2070673 in the cytochrome P4502E1 gene, CYP2E1 (dichloromethane: OR = 4.42, 95% CI: 2.03, 9.62; Pinteraction < 0.01; carbon tetrachloride: OR = 5.08, 95% CI: 1.82, 14.15; Pinteraction = 0.04; and methyl chloride: OR = 2.37, 95% CI: 1.24, 4.51; Pinteraction = 0.03). In contrast, no effects of these solvents were observed among TA/AA women. Similar patterns were observed for diffuse large B-cell lymphoma and follicular lymphoma, as well as marginal zone lymphoma for dichloromethane. The weak, nonsignificant overall association between benzene and diffuse large B-cell lymphoma (OR = 1.29, 95% CI: 0.84, 1.98) was increased among women AA for rs2234922 in the microsomal epoxide hydrolase gene, EPHX1 (OR = 1.77, 95% CI: 1.06, 2.97; Pinteraction = 0.06). In contrast, no effect was observed among AG/GG women. Additional studies with larger sample size are needed to replicate these findings. PMID:21228414

  1. An effective solvent theory connecting the underlying mechanisms of osmolytes and denaturants for protein stability.

    PubMed

    Linhananta, Apichart; Hadizadeh, Shirin; Plotkin, Steven Samuel

    2011-01-19

    An all-atom G? model of Trp-cage protein is simulated using discontinuous molecular dynamics in an explicit minimal solvent, using a single, contact-based interaction energy between protein and solvent particles. An effective denaturant or osmolyte solution can be constructed by making the interaction energy attractive or repulsive. A statistical mechanical equivalence is demonstrated between this effective solvent model and models in which proteins are immersed in solutions consisting of water and osmolytes or denaturants. Analysis of these studies yields the following conclusions: 1), Osmolytes impart extra stability to the protein by reducing the entropy of the unfolded state. 2), Unfolded states in the presence of osmolyte are more collapsed than in water. 3), The folding transition in osmolyte solutions tends to be less cooperative than in water, as determined by the ratio of van 't Hoff to calorimetric enthalpy changes. The decrease in cooperativity arises from an increase in native structure in the unfolded state, and thus a lower thermodynamic barrier at the transition midpoint. 4), Weak denaturants were observed to destabilize small proteins not by lowering the unfolded enthalpy, but primarily by swelling the unfolded state and raising its entropy. However, adding a strong denaturant destabilizes proteins enthalpically. 5), The folding transition in denaturant-containing solutions is more cooperative than in water. 6), Transfer to a concentrated osmolyte solution with purely hard-sphere steric repulsion significantly stabilizes the protein, due to excluded volume interactions not present in the canonical Tanford transfer model. 7), Although a solution with hard-sphere interactions adds a solvation barrier to native contacts, the folding is nevertheless less cooperative for reasons 1-3 above, because a hard-sphere solvent acts as a protecting osmolyte. PMID:21244842

  2. An Effective Solvent Theory Connecting the Underlying Mechanisms of Osmolytes and Denaturants for Protein Stability

    PubMed Central

    Linhananta, Apichart; Hadizadeh, Shirin; Plotkin, Steven Samuel

    2011-01-01

    An all-atom G? model of Trp-cage protein is simulated using discontinuous molecular dynamics in an explicit minimal solvent, using a single, contact-based interaction energy between protein and solvent particles. An effective denaturant or osmolyte solution can be constructed by making the interaction energy attractive or repulsive. A statistical mechanical equivalence is demonstrated between this effective solvent model and models in which proteins are immersed in solutions consisting of water and osmolytes or denaturants. Analysis of these studies yields the following conclusions: 1), Osmolytes impart extra stability to the protein by reducing the entropy of the unfolded state. 2), Unfolded states in the presence of osmolyte are more collapsed than in water. 3), The folding transition in osmolyte solutions tends to be less cooperative than in water, as determined by the ratio of van 't Hoff to calorimetric enthalpy changes. The decrease in cooperativity arises from an increase in native structure in the unfolded state, and thus a lower thermodynamic barrier at the transition midpoint. 4), Weak denaturants were observed to destabilize small proteins not by lowering the unfolded enthalpy, but primarily by swelling the unfolded state and raising its entropy. However, adding a strong denaturant destabilizes proteins enthalpically. 5), The folding transition in denaturant-containing solutions is more cooperative than in water. 6), Transfer to a concentrated osmolyte solution with purely hard-sphere steric repulsion significantly stabilizes the protein, due to excluded volume interactions not present in the canonical Tanford transfer model. 7), Although a solution with hard-sphere interactions adds a solvation barrier to native contacts, the folding is nevertheless less cooperative for reasons 1–3 above, because a hard-sphere solvent acts as a protecting osmolyte. PMID:21244842

  3. Essential roles of protein-solvent many-body correlation in solvent-entropy effect on protein folding and denaturation: Comparison between hard-sphere solvent and water

    NASA Astrophysics Data System (ADS)

    Oshima, Hiraku; Kinoshita, Masahiro

    2015-04-01

    In earlier works, we showed that the entropic effect originating from the translational displacement of water molecules plays the pivotal role in protein folding and denaturation. The two different solvent models, hard-sphere solvent and model water, were employed in theoretical methods wherein the entropic effect was treated as an essential factor. However, there were similarities and differences in the results obtained from the two solvent models. In the present work, to unveil the physical origins of the similarities and differences, we simultaneously consider structural transition, cold denaturation, and pressure denaturation for the same protein by employing the two solvent models and considering three different thermodynamic states for each solvent model. The solvent-entropy change upon protein folding/unfolding is decomposed into the protein-solvent pair (PA) and many-body (MB) correlation components using the integral equation theories. Each component is further decomposed into the excluded-volume (EV) and solvent-accessible surface (SAS) terms by applying the morphometric approach. The four physically insightful constituents, (PA, EV), (PA, SAS), (MB, EV), and (MB, SAS), are thus obtained. Moreover, (MB, SAS) is discussed by dividing it into two factors. This all-inclusive investigation leads to the following results: (1) the protein-water many-body correlation always plays critical roles in a variety of folding/unfolding processes; (2) the hard-sphere solvent model fails when it does not correctly reproduce the protein-water many-body correlation; (3) the hard-sphere solvent model becomes problematic when the dependence of the many-body correlation on the solvent number density and temperature is essential: it is not quite suited to studies on cold and pressure denaturating of a protein; (4) when the temperature and solvent number density are limited to the ambient values, the hard-sphere solvent model is usually successful; and (5) even at the ambient values, however, the many-body correlation plays significant roles in the ?-sheet formation and argument of relative stabilities of very similar structures of a protein. These results are argued in detail with respect to the four physically insightful constituents and the two factors mentioned above. The relevance to the absence or presence of hydrogen-bonding properties in the solvent is also discussed in detail.

  4. Competing weak localization and weak antilocalization in ultrathin topological insulators

    NASA Astrophysics Data System (ADS)

    Lang, Murong; He, Liang; Kou, Xufeng; Upadhyaya, Pramey; Fan, Yabin; Chu, Hao; Yeh, Nai-Chang; Wang, Kang

    2013-03-01

    We demonstrate the evidences of a surface gap opening in (Bi0.57Sb0.43)2 Te3 samples for film thickness below 6 quintuple layers, through magnetotransport and scanning tunneling spectroscopy measurements. By tuning Fermi level position relative to the gap, the striking crossover between weak antilocalization and weak localization is observed in nonmagnetic 4 and 5 QL films at low field region, a characteristic feature of quantum interferences competition, possibly owing to the change of net Berry phase. Furthermore, when the Fermi level is swept into the surface gap, the overall unitary behaviors are revealed at higher magnetic field, which are in contrast to the pure WAL signals obtained in thicker films. Besides, the surface bandgap of ultrathin film is also determined by low temperature STS measurements. Our findings show an exotic phenomenon characterizing the gapped TI surface states and point to the future realization of quantum spin Hall effect and dissipationless TI-based applications. We demonstrate the evidences of a surface gap opening in (Bi0.57Sb0.43)2 Te3 samples for film thickness below 6 quintuple layers, through magnetotransport and scanning tunneling spectroscopy measurements. By tuning Fermi level position relative to the gap, the striking crossover between weak antilocalization and weak localization is observed in nonmagnetic 4 and 5 QL films at low field region, a characteristic feature of quantum interferences competition, possibly owing to the change of net Berry phase. Furthermore, when the Fermi level is swept into the surface gap, the overall unitary behaviors are revealed at higher magnetic field, which are in contrast to the pure WAL signals obtained in thicker films. Besides, the surface bandgap of ultrathin film is also determined by low temperature STS measurements. Our findings show an exotic phenomenon characterizing the gapped TI surface states and point to the future realization of quantum spin Hall effect and dissipationless TI-based applications. This work was in part supported by Defense Advanced Research Projects Agency (DARPA), Focus Center Research Program-Center on Functional Engineered Nano Architectonics (FENA).

  5. Lithium Diisopropylamide-Mediated Enolizations: Solvent-Independent Rates, Solvent-Dependent Mechanisms

    E-print Network

    Collum, David B.

    -Dependent Mechanisms Xiufeng Sun and David B. Collum* Contribution from the Department of Chemistry and Chemical attained a prominence in organic chemistry enjoyed by very few reagents,1 playing a central role, the ethereal solvent most commonly employed in organolithium chemistry; (3) HMPA,4 the strongest (albeit most

  6. INVESTIGATION OF PLUTONIUM AND URANIUM UPTAKE INTO MCU SOLVENT AND NEXT GENERATION SOLVENT

    SciTech Connect

    Peters, T.; Fink, S.

    2012-01-06

    At the request of the Savannah River Remediation (SRR) customer, the Savannah River National Laboratory (SRNL) examined the plutonium (Pu) and uranium (U) uptake into the Next Generation Solvent (NGS) that will be used at the Salt Waste Processing Facility (SWPF). SRNL examined archived samples of solvent used in Extraction-Scrub-Strip (ESS) tests, as well as samples from new tests designed explicitly to examine the Pu and U uptake. Direct radiocounting for Pu and U provided the best results. Using the radiocounting results, we found that in all cases there were <3.41E-12 g Pu/g of NGS and <1.17E-05 g U/g of NGS in multiple samples, even after extended contact times and high aqueous:organic volume phase ratios. These values are conservative as they do not allow for release or removal of the actinides by scrub, strip, or solvent wash processes. The values do not account for extended use or any increase that may occur due to radiolytic damage of the solvent.

  7. ACTIVE EFFLUX OF ORGANIC SOLVENTS BY PSEUDOMONAS PUTIDA S12 IS INDUCED BY SOLVENTS

    EPA Science Inventory

    Induction of the membrane-associated organic solvent efflux system SrpABC of Pseudomonas putida S12 was examined by cloning a 312-bp DNA fragment, containing the srp promoter, in the broad-host-range reporter vector pKRZ-1. Compounds that are capable of inducing expression of the...

  8. Solvent tolerant marine bacterium Bacillus aquimaris secreting organic solvent stable alkaline cellulase.

    PubMed

    Trivedi, Nitin; Gupta, Vishal; Kumar, Manoj; Kumari, Puja; Reddy, C R K; Jha, Bhavanath

    2011-04-01

    The organic solvent tolerant bacteria with their physiological abilities to decontaminate the organic pollutants have potentials to secrete extracellular enzymes of commercial importance. Of the 19 marine bacterial isolates examined for their solvent tolerance at 10vol.% concentration, one had the significant tolerance and showed a relative growth yield of 86% for acetone, 71% for methanol, 52% for benzene, 35% for heptane, 24% for toluene and 19% for ethylacetate. The phylogenetic analysis of this strain using 16S rDNA sequence revealed 99% homology with Bacillus aquimaris. The cellulase enzyme secreted by this strain under normal conditions showed an optimum activity at pH 11 and 45°C. The enzyme did show functional stability even at higher pH (12) and temperature (75°C) with residual activity of 85% and 95% respectively. The enzyme activity in the presence of different additives were in the following order: Co(+2)>Fe(+2)>NaOCl(2)>CuSO(4)>KCl>NaCl. The enzyme stability in the presence of solvents at 20vol.% concentration was highest in benzene with 122% followed by methanol (85%), acetone (75%), toluene (73%) and heptane (42%). The pre-incubation of enzyme in ionic liquids such as 1-ethyl-3-methylimidazolium methanesulfonate and 1-ethyl-3-methylimidazolium bromide increased its activity to 150% and 155% respectively. The change in fatty acid profile with different solvents further elucidated the physiological adaptations of the strain to tolerate such extreme conditions. PMID:21388656

  9. CHLORINATED SOLVENT CONTAMINATED SOILS AND GROUNDWATER: FIELD APPLICATION OF THE SOLVENT EXTRACTION RESIDUAL BIOTREATMENT TECHNOLOGY

    EPA Science Inventory

    A pilot scale demonstration of the Solvent Extraction Residual Biotreatment (SERB) technology was conducted at the former Sage's Dry Cleaner site in Jacksonville, FL. The SERB technology is a treatment train approach to complete site restoration, which combines an active in situ...

  10. Universal reduction of effective coordination number in the quasi-one-dimensional Ising model

    NASA Astrophysics Data System (ADS)

    Todo, Synge

    2006-09-01

    Critical temperature of quasi-one-dimensional general-spin Ising ferromagnets is investigated by means of the cluster Monte Carlo method performed on infinite-length strips, L×? or L×L×? . We find that in the weak interchain coupling regime the critical temperature as a function of the interchain coupling is well-described by a chain mean-field formula with a reduced effective coordination number, as the quantum Heisenberg antiferromagnets recently reported by Yasuda [Phys. Rev. Lett. 94, 217201 (2005)]. It is also confirmed that the effective coordination number is independent of the spin size. We show that in the weak interchain coupling limit the effective coordination number is, irrespective of the spin size, rigorously given by the quantum critical point of a spin- 1/2 transverse-field Ising model.

  11. Mechanisms of coordination in distributed neural circuits: encoding coordinating information.

    PubMed

    Smarandache-Wellmann, Carmen; Grätsch, Swantje

    2014-04-16

    We describe synaptic connections through which information essential for encoding efference copies reaches two coordinating neurons in each of the microcircuits that controls limbs on abdominal segments of the crayfish, Pacifastacus leniusculus. In each microcircuit, these coordinating neurons fire bursts of spikes simultaneously with motor neurons. These bursts encode timing, duration, and strength of each motor burst. Using paired microelectrode recordings, we demonstrate that one class of nonspiking neurons in each microcircuit's pattern-generating kernel--IPS--directly inhibits the ASCE coordinating neuron that copies each burst in power-stroke (PS) motor neurons. This inhibitory synapse parallels IPS's inhibition of the same PS motor neurons. Using a disynaptic pathway to control its membrane potential, we demonstrate that a second type of nonspiking interneuron in the pattern-generating kernel--IRSh--inhibits the DSC coordinating neuron that copies each burst in return-stroke (RS) motor neurons. This inhibitory synapse parallels IRS's inhibition of the microcircuit's RS motor neurons. Experimental changes in the membrane potential of one IPS or one IRSh neuron simultaneously changed the strengths of motor bursts, durations, numbers of spikes, and spike frequency in the simultaneous ASCE and DSC bursts. ASCE and DSC coordinating neurons link the segmentally distributed microcircuits into a coordinated system that oscillates with the same period and with stable phase differences. The inhibitory synapses from different pattern-generating neurons that parallel their inhibition of different sets of motor neurons enable ASCE and DSC to encode details of each oscillation that are necessary for stable, adaptive synchronization of the system. PMID:24741053

  12. Cation-Coordinating Properties of Perfluoro-15-Crown-5

    PubMed Central

    Lai, Chun-Ze; Reardon, Molly E.; Boswell, Paul G.; Bühlmann, Philippe

    2011-01-01

    The coordinative properties of perfluoro-15-crown-5 with monocations were investigated using 19F NMR spectroscopy and ion-selective electrodes with perfluoro-15-crown-5 as the matrix of their sensor membranes and the fluorophilic tetrakis[3,5-bis(perfluorohexyl)phenyl]borate as ion exchanger site. The results show that perfluoro-15-crown-5 interacts weakly but significantly with Na+ and K+. Assuming 1:1 stoichiometry, the formal complexation constants were determined to be 5.5 and 1.7 M?1, respectively. This weak binding is consistent with the strong electron withdrawing nature of the many fluorine atoms in the perfluorocrown ether. While perfluorinated crown ethers have been known to form host–guest complexes with the anions O2? and F? in the gas phase, this is the first study that quantitatively confirms cation binding to a perfluorocrown ether. PMID:22180663

  13. Spiropyran polymeric microcapillary coatings for photodetection of solvent polarity.

    PubMed

    Florea, Larisa; McKeon, Aoife; Diamond, Dermot; Benito-Lopez, Fernando

    2013-02-26

    Fused silica microcapillaries were functionalized with spiropyran-polymer brushes using surface-initiated ring-opening metathesis polymerization. Based on the inherited spiropyran properties, the functionalized capillaries were successfully used to photoidentify solvents of different polarity when passing through the microcapillary in continuous flow. In the present study, six different solvents (toluene, tetrahydrofuran, acetone, acetonitrile, ethanol, and methanol) can be easily detected while passing through the modified microcapillary by simply irradiating a portion of it with UV light (365 nm). This converts the closed spiropyran moiety to the open merocyanine form, and as a consequence, the microcapillary gains a distinct color and spectral response depending on the polarity of the solvent. The rate of ring-opening of the spiropyran-polymer brushes coatings has been determined in situ in the presence of different solvents, showing that the coloration rate is also influenced by the solvent polarity and therefore can be used as an additional parameter for solvent sensing. PMID:23379723

  14. Acid gas scrubbing by composite solvent-swollen membranes

    DOEpatents

    Matson, S.L.; Lee, E.K.L.; Friesen, D.T.; Kelly, D.J.

    1988-04-12

    A composite immobilized liquid membrane suitable for acid gas scrubbing is disclosed. The membrane is a solvent-swollen polymer and a microporous polymeric support, the solvent being selected from a class of highly polar solvents containing at least one atom selected from nitrogen, oxygen, phosphorus and sulfur, and having a boiling point of at least 100 C and a solubility parameter of from about 7.5 to about 13.5 (cal/cm[sup 3]-atm)[sup 1/2]. Such solvents are homogeneously distributed through the solvent-swollen polymer from 20% to 95% by weight. Also disclosed are methods of acid gas scrubbing of high- and low-Btu gas effluents with such solvent-swollen membranes. 3 figs.

  15. Acid gas scrubbing by composite solvent-swollen membranes

    DOEpatents

    Matson, Stephen L. (Harvard, MA); Lee, Eric K. L. (Acton, MA); Friesen, Dwayne T. (Bend, OR); Kelly, Donald J. (Bend, OR)

    1988-01-01

    A composite immobilized liquid membrane suitable for acid gas scrubbing is disclosed. The membrane is a solvent-swollen polymer and a microporous polymeric support, the solvent being selected from a class of highly polar solvents containing at least one atom selected from nitrogen, oxygen, phosphorous and sulfur, and having a boiling point of at least 100.degree. C. and a solubility parameter of from about 7.5 to about 13.5 (cal/cm.sup.3 -atm).sup.1/2. Such solvents are homogeneously distributed through the solvent-swollen polymer from 20% to 95% by weight. Also disclosed are methods of acid gas scrubbing of high- and low-Btu gas effluents with such solvent-swollen membranes.

  16. Method for destroying halocarbon compositions using a critical solvent

    DOEpatents

    Ginosar, Daniel M.; Fox, Robert V.; Janikowski, Stuart K.

    2006-01-10

    A method for destroying halocarbons. Halocarbon materials are reacted in a dehalogenation process wherein they are combined with a solvent in the presence of a catalyst. A hydrogen-containing solvent is preferred which functions as both a solvating agent and hydrogen donor. To augment the hydrogen donation capacity of the solvent if needed (or when non-hydrogen-containing solvents are used), a supplemental hydrogen donor composition may be employed. In operation, at least one of the temperature and pressure of the solvent is maintained near, at, or above a critical level. For example, the solvent may be in (1) a supercritical state; (2) a state where one of the temperature or pressure thereof is at or above critical; or (3) a state where at least one of the temperature and pressure thereof is near-critical. This system provides numerous benefits including improved reaction rates, efficiency, and versatility.

  17. Organic solvent-induced bipolar disorder: a case report.

    PubMed

    Sprouse, Adrienne; Curtis, Luke; Bartlik, Barbara

    2013-01-01

    Many studies have reported neurological and neuropsychiatric symptoms, including a significantly increased risk of depression and suicide, from exposure to low to moderate levels of organic solvents. However, few studies have reported a link between organic solvent exposure and bipolar disorder. The authors present a case of a 43-y-old man who developed new-onset bipolar disorder following exposure to organic solvents in a textile printing plant. The man had elevated blood levels of several common solvents. His symptoms abated following avoidance of solvent exposures at his workplace and after nutritional and sauna detoxification treatments that one of the authors formulated to clear xenobiotics. Following avoidance and detoxification, the patient's blood concentrations of organic solvents fell to undetectable levels and his manic symptoms disappeared, with no significant recurrences over the past 13 y, as evaluated by the authors and his other physicians. PMID:23784607

  18. Are deep eutectic solvents benign or toxic?

    PubMed

    Hayyan, Maan; Hashim, Mohd Ali; Hayyan, Adeeb; Al-Saadi, Mohammed A; AlNashef, Inas M; Mirghani, Mohamed E S; Saheed, Olorunnisola Kola

    2013-02-01

    In continuation of investigation for environmentally benign protocol for new solvents termed deep eutectic solvents (DESs), it is herein reported results concerning the toxicity and cytotoxicity of choline chloride (ChCl) based DESs with four hydrogen bond donors including glycerine, ethylene glycol, triethylene glycol and urea. The toxicity was investigated using two Gram positive bacteria Bacillus subtilis and Staphylococcus aureus, and two Gram negative bacteria Escherichia coli and Pseudomonas aeruginosa. The cytotoxicity effect was tested using the Artemia salina leach. It was found that there was no toxic effect for the tested DESs on all of the studied bacteria confirming their benign effects on these bacteria. Nevertheless, it was found that the cytotoxicity of DESs was much higher than their individual components (e.g. glycerine, ChCl) indicating that their toxicological behavior is different. For our best knowledge this is the first time that toxicity and cytotoxicity of DESs were studied. The toxicity and cytotoxicity of DESs varied depending on the structure of components. Careful usage of the terms non-toxicity and biodegradability must be considered. More investigation on this matter is required. PMID:23200570

  19. Solvent vapor sensor & bolus detector for radiosynthesis

    SciTech Connect

    Ducret, A.; Veyre, L.; Landais, P.; Le Bars, D. [CERMEP, Lyon (France)

    1994-12-31

    One of the key points in the Hamacher method of [{sup 18}F]FDG synthesis, in common with many other chemical reactions, is the need for an anhydrous state of the {sup 18}F/Kryptofix complex before addition of the mannose triflate. This is usually done by ensuring enough time elapses after the additions of acetonitrile for azeotropic distillation of the carbonate/K 2.2.2 solution, with the resulting possibility of overheating the dry kryptofix adduct. In this system, the entire [{sup 18}F]FDG synthesis is controlled by a Siemens Simatic S100 PLC; the fluorination takes place in an open Sigradur{reg_sign} vessel. The authors choose to automate this evaporation step with the control of this little vapor sensor, used otherwise to detect explosive atmospheres. The sensor is based on a miniature flammable gas sensor designed for detection of propane, butane, natural and {open_quotes}town{close_quotes} gas, using the platinum wire (pellistor) principle. Acetonitrile and organic flammable solvents are easily detected, the difference ({approximately} 30 mV) between the platinum sensing filament and compensating filament is measured and drives a K relay interfacing the Simatic PLC. Response time is within 3 seconds after complete disappearance of the solvent.

  20. Generalized spherical and simplicial coordinates

    NASA Astrophysics Data System (ADS)

    Richter, Wolf-Dieter

    2007-12-01

    Elementary trigonometric quantities are defined in l2,p analogously to that in l2,2, the sine and cosine functions are generalized for each p>0 as functions sinp and cosp such that they satisfy the basic equation cosp([phi])p+sinp([phi])p=1. The p-generalized radius coordinate of a point [xi][set membership, variant]Rn is defined for each p>0 as . On combining these quantities, ln,p-spherical coordinates are defined. It is shown that these coordinates are nearly related to ln,p-simplicial coordinates. The Jacobians of these generalized coordinate transformations are derived. Applications and interpretations from analysis deal especially with the definition of a generalized surface content on ln,p-spheres which is nearly related to a modified co-area formula and an extension of Cavalieri's and Torricelli's indivisibeln method, and with differential equations. Applications from probability theory deal especially with a geometric interpretation of the uniform probability distribution on the ln,p-sphere and with the derivation of certain generalized statistical distributions.

  1. Permeation of Tank C-103 sludge simulant by organic solvent

    SciTech Connect

    Gerber, M.A.

    1995-03-01

    The plan for stabilizing underground storage tanks (USTs) calls for draining the supernate from the tanks; however, there is concern that draining the supernate from Tank C-103 will degrade safety in the tank. The sludge in Tank C-103 contains ranges in depth from 1 to 1.5 m and is covered by both an aqueous phase and a separate organic layer. The main concern is that draining the supernate will cause the solvent to permeate the sludge solids and provide a source of fuel for a fire on the surface of the drained sludge. The question of whether the solvent will permeate sludge that is 1 to 1.5 m deep after the tank is dewatered is the purpose of the tests conducted and described in this report. Evaluation of the solvent permeation mechanism required the preparation of solvent, supernate, and sludge simulants based on the known chemistry of Tank C-103. Solvent and aqueous phase supernate simulants are based on the results of fiscal year 1994 sampling of the tank solvent and supernate. Sludge simulant is based on the chemical analyses of tank sludge samples retrieved in 1986. Experiments were conducted with each simulant to evaluate solvent permeation under matric potentials ranging from 0.8 m to 1.8 m of supernate. The amount of solvent recovered for each experiment was recorded as well as the maximum amount of solvent that could be din the sludge based on solvent recovered from resuspended sludge and solvent not recovered. The wt% of water remaining in the sludge was also recorded for each experiment, which was determined by measuring the weight of the sludge after drying it. One observation noted from the test results is that the finer sludge material tended to have a greater amount of solvent loss compared to the coarser sludge material at comparable levels of vacuum. At this time, there is no explanation.

  2. Rotational relaxation of rod like molecules: Diphenylacetylene in various solvents

    Microsoft Academic Search

    Yoshinori Hirata; Yasuhiko Kanemoto; Tadashi Okada; Tateo Nomoto

    1995-01-01

    By using fluorescence anisotropy decay and polarized transient absorption spectrum measurement techniques with a picosecond time resolution, we have studied the rotational relaxation of 4-[(4-(dimethylamino)phenyl)ethynyl]-benzonitrile in various aim is to clarify the solvent-solute interactions revealed as a solvent dependence of the rotational relaxation time of solute molecules. Among the solvents we used, ethanol shows characteristics behavior compared with other polar

  3. Solvent degradation and cleanup: a survey and recent ORNL studies

    SciTech Connect

    Mailen, J.C.; Tallent, O.K.

    1984-01-01

    This paper surveys the mechanisms for degradation of the tributyl phosphate and diluent components of Purex solvent by acid and radiation, reviews the problems encountered in plant operations resulting from the presence of these degradation products, and discusses methods for minimizing the formation of degradation products and accomplishing their removal. Scrubbing solutions containing sodium carbonate or hydroxylamine salts and secondary cleanup of solvents using solid sorbents are evaluated. Finally, recommendations for improved solvent cleanup are presented. 50 references, 4 figures, 3 tables.

  4. Effect of solvents on stabilization of micro drug particles

    NASA Astrophysics Data System (ADS)

    Desai, Chintal; Meng, Xiangxin; Yang, Dachuan; Wang, Xianqin; Akkunuru, Vamshi; Mitra, Somenath

    2011-01-01

    Antisolvent synthesis of micron scale Griseofulvin was carried out with simultaneous suspension stabilization under low power ultrasonic agitation. The organic solvent plays an important role because the supersaturation could be varied by using different solvents and the physicochemical characteristics of the suspension are also altered, which affects stability. In this study we present the effect of solvents on particle formation, polymorphism and stability of micron scale Griseofulvin formation in aqueous media.

  5. Toward Coordinated Colloids: Site-Selective Growth of Titania on Patchy Silica Particles

    PubMed Central

    Bae, Changdeuck; Kim, Hyunchul; Montero Moreno, Josep M.; Yi, Gi-Ra; Shin, Hyunjung

    2015-01-01

    Rational synthesis of coordinated spherical colloids is reported by site-selective growth of secondary hemispherical patches on primary spherical particles with quasi-defined coordination numbers and positions. We clarify the importance of mass transport phenomena on the site-specific secondary nucleation/growth in nanoparticulate colloidal systems. By comparing ultrasonic and conventional agitation during patch growth, we found that enhanced mass transfer is the key to controlled, homogeneous transport of the molecular precursors in a solvent onto the nanoparticles. With chemically defined nucleation sites, the surfaces of spherical silica particles were modified for use as a new kind of colloid with patches at desired coordination positions. Our observations represent a significant breakthrough in colloidal chemistry and self-assembly. PMID:25797616

  6. Reversing entanglement change by a weak measurement 

    E-print Network

    Sun, Qingqing; Al-Amri, M.; Davidovich, Luiz; Zubairy, M. Suhail.

    2010-01-01

    conditions. For the weak-measurement case, the recovery of the initial entangled state is exact. The reversal procedure involves another weak measurement, preceded and followed by bit flips applied to both qubits. We propose a linear optics scheme...

  7. Mixing of immiscible polymers using nanoporous coordination templates

    PubMed Central

    Uemura, Takashi; Kaseda, Tetsuya; Sasaki, Yotaro; Inukai, Munehiro; Toriyama, Takaaki; Takahara, Atsushi; Jinnai, Hiroshi; Kitagawa, Susumu

    2015-01-01

    The establishment of methodologies for the mixing of immiscible substances is highly desirable to facilitate the development of fundamental science and materials technology. Herein we describe a new protocol for the compatibilization of immiscible polymers at the molecular level using porous coordination polymers (PCPs) as removable templates. In this process, the typical immiscible polymer pair of polystyrene (PSt) and poly(methyl methacrylate) (PMMA) was prepared via the successive homopolymerizations of their monomers in a PCP to distribute the polymers inside the PCP particles. Subsequent dissolution of the PCP frameworks in a chelator solution affords a PSt/PMMA blend that is homogeneous in the range of several nanometers. Due to the unusual compatibilization, the thermal properties of the polymer blend are remarkably improved compared with the conventional solvent-cast blend. This method is also applicable to the compatibilization of PSt and polyacrylonitrile, which have very different solubility parameters. PMID:26130294

  8. Prebiotic phosphate ester syntheses in a deep eutectic solvent.

    PubMed

    Gull, Maheen; Zhou, Manshui; Fernández, Facundo M; Pasek, Matthew A

    2014-02-01

    We report a route to synthesize a wide range of organophosphates of biological significance in a deep eutectic solvent (2:1 urea and choline chloride), utilizing various orthophosphate sources. Heating an organic alcohol in the solvent along with a soluble phosphorus source yields phosphorus esters of choline as well as that of the added organic in yields between 15 to 99 %. In addition, phosphite analogs of biological phosphates and peptides were also formed by the simple mixing of reagents and heating at 60-70 °C in the deep eutectic solvent. The presented dehydration reactions are relevant to prebiotic and green chemistry in alternative solvents. PMID:24368625

  9. Electrospinning of Grooved Polystyrene Fibers: Effect of Solvent Systems.

    PubMed

    Liu, Wanjun; Huang, Chen; Jin, Xiangyu

    2015-12-01

    Secondary surface texture is of great significance to morphological variety and further expands the application areas of electrospun nanofibers. This paper presents the possibility of directly electrospinning grooved polystyrene (PS) fibers using both single and binary solvent systems. Solvents were classified as low boiling point solvent (LBPS): dichloromethane (DCM), acetone (ACE), and tetrahydrofuran (THF); high boiling point solvent (HBPS): N,N-dimethylformamide (DMF) and cyclohexanone (CYCo); and non-solvent (NS): 1-butanol (BuOH). By the systematic selection and combination of these solvents at given parameters, we found that single solvent systems produced non-grooved fibers. LBPS/DMF solvent systems resulted in fibers with different grooved textures, while LBPS/CYCo led to fibers with double grooved texture. Grooved fibers can also be fabricated from LBPS/LBPS, NS/LBPS, and NS/HBPS systems under specific conditions. The results indicated that the difference of evaporation rate (DER) between the two solvents played a key role in the formation of grooved texture. The formation of this unique texture should be attributed to three separate mechanisms, namely void-based elongation, wrinkle-based elongation, and collapsed jet-based elongation. Our findings can serve as guidelines for the preparation of ultrafine fibers with grooved secondary texture. PMID:26055481

  10. Electrospinning of Grooved Polystyrene Fibers: Effect of Solvent Systems

    NASA Astrophysics Data System (ADS)

    Liu, Wanjun; Huang, Chen; Jin, Xiangyu

    2015-05-01

    Secondary surface texture is of great significance to morphological variety and further expands the application areas of electrospun nanofibers. This paper presents the possibility of directly electrospinning grooved polystyrene (PS) fibers using both single and binary solvent systems. Solvents were classified as low boiling point solvent (LBPS): dichloromethane (DCM), acetone (ACE), and tetrahydrofuran (THF); high boiling point solvent (HBPS): N, N-dimethylformamide (DMF) and cyclohexanone (CYCo); and non-solvent (NS): 1-butanol (BuOH). By the systematic selection and combination of these solvents at given parameters, we found that single solvent systems produced non-grooved fibers. LBPS/DMF solvent systems resulted in fibers with different grooved textures, while LBPS/CYCo led to fibers with double grooved texture. Grooved fibers can also be fabricated from LBPS/LBPS, NS/LBPS, and NS/HBPS systems under specific conditions. The results indicated that the difference of evaporation rate (DER) between the two solvents played a key role in the formation of grooved texture. The formation of this unique texture should be attributed to three separate mechanisms, namely void-based elongation, wrinkle-based elongation, and collapsed jet-based elongation. Our findings can serve as guidelines for the preparation of ultrafine fibers with grooved secondary texture.

  11. Improved solvent extraction recovery of shale oil. [DOE patent application

    SciTech Connect

    McKay, J.F.; Chong, S.L.

    1981-07-20

    An improved process for solvent extraction of organic matter from shale by two extraction steps in sequence. The extraction steps are: (1) treating a kerogen-containing shale with a solvent system comprising a combination of water and an alcohol at a temperature of about 375 to 425/sup 0/C; and (2) treating the product of (1) with a solvent system comprising a combination of an alcohol and another organic solvent at an elevated temperature, but not above about 425/sup 0/C. The organic matter is recovered by separating the liquid which results from step (2) from the shale solids.

  12. The denaturation transition of DNA in mixed solvents.

    PubMed

    Hammouda, Boualem; Worcester, David

    2006-09-15

    The helix-to-coil denaturation transition in DNA has been investigated in mixed solvents at high concentration using ultraviolet light absorption spectroscopy and small-angle neutron scattering. Two solvents have been used: water and ethylene glycol. The "melting" transition temperature was found to be 94 degrees C for 4% mass fraction DNA/d-water and 38 degrees C for 4% mass fraction DNA/d-ethylene glycol. The DNA melting transition temperature was found to vary linearly with the solvent fraction in the mixed solvents case. Deuterated solvents (d-water and d-ethylene glycol) were used to enhance the small-angle neutron scattering signal and 0.1M NaCl (or 0.0058 g/g mass fraction) salt concentration was added to screen charge interactions in all cases. DNA structural information was obtained by small-angle neutron scattering, including a correlation length characteristic of the inter-distance between the hydrogen-containing (desoxyribose sugar-amine base) groups. This correlation length was found to increase from 8.5 to 12.3 A across the melting transition. Ethylene glycol and water mixed solvents were found to mix randomly in the solvation region in the helix phase, but nonideal solvent mixing was found in the melted coil phase. In the coil phase, solvent mixtures are more effective solvating agents than either of the individual solvents. Once melted, DNA coils behave like swollen water-soluble synthetic polymer chains. PMID:16815902

  13. Subcritical solvent extraction of anthocyanins from dried red grape pomace.

    PubMed

    Monrad, Jeana K; Howard, Luke R; King, Jerry W; Srinivas, Keerthi; Mauromoustakos, Andy

    2010-03-10

    Accelerated solvent extraction (ASE) was used to optimize and determine the effectiveness of an alternative, environmentally friendly extraction procedure using subcritical solvents to recover anthocyanins from freeze-dried, ground Sunbelt red grape pomace. Anthocyanins were extracted from pomace using the following ASE variables: pressure (6.8 MPa), one extraction cycle, and temperature (40, 60, 80, 100, 120, and 140 degrees C). Conventional solvent extraction with methanol/water/formic acid (60:37:3 v/v/v) was compared to four hydroethanolic solvents (10, 30, 50, and 70% ethanol in water, v/v). Anthocyanins in the extracts were identified and quantified by HPLC-MS and HPLC. There was an insignificant interaction between solvent and temperature (p = 0.0663). Solvents containing 70 and 50% ethanol in water extracted more total anthocyanins (463 and 455 mg/100 g of DW, respectively) than other solvents. The total amounts of anthocyanins extracted at 100 degrees C (450 mg/100 g of DW), 80 degrees C (436 mg/100 g of DW), and 120 degrees C (411 mg/100 g of DW) were higher than at the other temperatures. Solvents containing 70 and 50% ethanol in water extracted similar amounts of anthocyanins as conventional extraction solvent. PMID:20148515

  14. Kerr metric, static observers and Fermi coordinates

    Microsoft Academic Search

    Donato Bini; Andrea Geralico; Robert T. Jantzen

    2005-01-01

    The coordinate transformation which maps the Kerr metric written in standard Boyer Lindquist coordinates to its corresponding form adapted to the natural local coordinates of an observer at rest at a fixed position in the equatorial plane, i.e., Fermi coordinates for the neighbourhood of a static observer world line, is derived and discussed in a way which extends to any

  15. An Intrinsic Coordinate System for Fingerprint Matching

    Microsoft Academic Search

    Asker M. Bazen; Sabih H. Gerez; J. Bigun; F. Smeraldi

    2001-01-01

    In this paper, an intrinsic coordinate system is proposed for ngerprints. First the ngerprint is partitioned in regular regions, which are regions that contain no singular points. In each regular region, the intrinsic coordinate system is dened by the directional eld. When us- ing the intrinsic coordinates instead of pixel coordinates, minutiae are dened with respect to their position in

  16. Metal-Free Hydrogenation Catalyzed by an Air-Stable Borane: Use of Solvent as a Frustrated Lewis Base**

    PubMed Central

    Scott, Daniel J; Fuchter, Matthew J; Ashley, Andrew E

    2014-01-01

    In recent years ‘frustrated Lewis pairs’ (FLPs) have been shown to be effective metal-free catalysts for the hydrogenation of many unsaturated substrates. Even so, limited functional-group tolerance restricts the range of solvents in which FLP-mediated reactions can be performed, with all FLP-mediated hydrogenations reported to date carried out in non-donor hydrocarbon or chlorinated solvents. Herein we report that the bulky Lewis acids B(C6Cl5)x(C6F5)3?x (x=0–3) are capable of heterolytic H2 activation in the strong-donor solvent THF, in the absence of any additional Lewis base. This allows metal-free catalytic hydrogenations to be performed in donor solvent media under mild conditions; these systems are particularly effective for the hydrogenation of weakly basic substrates, including the first examples of metal-free catalytic hydrogenation of furan heterocycles. The air-stability of the most effective borane, B(C6Cl5)(C6F5)2, makes this a practically simple reaction method. PMID:25113014

  17. Weak $?$ production off the nucleon

    E-print Network

    M. Rafi Alam; L. Alvarez-Ruso; M. Sajjad Athar; M. J. Vicente Vacas

    2013-03-24

    The weak $\\eta$-meson production off the nucleon induced by (anti)neutrinos is studied at low and intermediate energies, the range of interest for several ongoing and future neutrino experiments. We consider Born diagrams and the excitation of $N^\\ast (1535)S_{11}$ and $N^\\ast(1650)S_{11}$ resonances. The vector part of the N-$S_{11}$ transition form factors has been obtained from the MAID helicity amplitudes while the poorly known axial part is constrained with the help of the partial conservation of the axial current (PCAC) and assuming the pion-pole dominance of the pseudoscalar form factor.

  18. Strong interactions of weak bosons

    E-print Network

    Tao Han

    1999-10-26

    We discuss the parameterization for electroweak gauge boson interactions without a light Higgs boson. We present the constraints on the anomalous gauge-boson couplings from the current experiments. We emphasize that the four-point couplings involving the longitudinal weak bosons are genuine to the underlying strong dynamics responsible for the electroweak symmetry breaking. We study the sensitivity to the four-point couplings and the possible heavy resonant states in this sector at future TeV $e^+e^-$ linear colliders.

  19. Weak ? production off the nucleon

    NASA Astrophysics Data System (ADS)

    Alam, M. Rafi; Alvarez-Ruso, L.; Athar, M. Sajjad; Vacas, M. J. Vicente

    2015-05-01

    The weak ?-meson production off the nucleon induced by (anti)neutrinos is studied at low and intermediate energies, the range of interest for several ongoing and future neutrino experiments. We consider Born diagrams and the excitation of N* (1535)S11 and N* (1650)S11 resonances. The vector part of the N-S11 transition form factors has been obtained from the MAID helicity amplitudes while the poorly known axial part is constrained with the help of the partial conservation of the axial current (PCAC) and assuming the pion-pole dominance of the pseudoscalar form factor.

  20. Electromagnetic weak turbulence theory revisited

    SciTech Connect

    Yoon, P. H. [IPST, University of Maryland, College Park, Maryland 20742 (United States); Ziebell, L. F. [Instituto de Fisica, UFRGS, Porto Alegre, RS (Brazil); Gaelzer, R.; Pavan, J. [Instituto de Fisica e Matematica, UFPel, Pelotas, RS (Brazil)

    2012-10-15

    The statistical mechanical reformulation of weak turbulence theory for unmagnetized plasmas including fully electromagnetic effects was carried out by Yoon [Phys. Plasmas 13, 022302 (2006)]. However, the wave kinetic equation for the transverse wave ignores the nonlinear three-wave interaction that involves two transverse waves and a Langmuir wave, the incoherent analogue of the so-called Raman scattering process, which may account for the third and higher-harmonic plasma emissions. The present paper extends the previous formalism by including such a term.