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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. Macrocyclic weakly coordinating anions.

    PubMed

    Landskron, Kai

    2015-10-01

    Herein, the concept of macrocyclic weakly coordinating anions (M-WCAs) is introduced. Synthetic methodologies are described how to access M-WCAs by thermodynamically controlled self-assembly in high yields, in particular through condensation and alkyne metathesis reactions. The anticipated properties and applications of M-WCAs in solid state and in solution are discussed, specifically for gas storage and separation, homogeneous and heterogeneous catalysis, and as liquid and solid electrolytes. PMID:26272789

  3. An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).

    PubMed

    Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping

    2016-02-01

    The facile synthesis of a new highly aliphatic solvent-soluble Li(+) salt of the perhalogenated weakly coordinating anion [Al(OC(CCl3)(CF3)2)4](-) and its application in stabilizing the Ph3C(+) cation were investigated. The lithium salt Li[Al(OC(CCl3)(CF3)2)4] (4) was prepared by the treatment of 4 mol equiv of HOC(CCl3)(CF3)2 with purified LiAlH4 in n-hexane from -20 C to room temperature. Compound 4 is highly soluble in both polar and nonpolar solvents, and it bears both CCl3 and CF3 groups, resulting in a lower symmetry around the Al center compared to that of Li[Al(OC(CF3)3)4] (1). Treatment of 4 with Ph3CCl afforded the ionic compound [Ph3C][Al(OC(CCl3)(CF3)2)4] (5) bearing the Ph3C(+) cation with concomitant elimination of LiCl, suggesting the potential application of [Al(OC(CCl3)(CF3)2)4](-) in stabilizing reactive cationic species. Compounds 4 and 5 were fully characterized by spectroscopic and structural methods. PMID:26784742

  4. Contraction of weak polyelectrolyte multilayers in response to organic solvents.

    PubMed

    Gu, Yuanqing; Ma, Yubing; Vogt, Bryan D; Zacharia, Nicole S

    2016-02-14

    Weak polyelectrolyte multilayers (PEMs) prepared by the layer-by-layer assembly technique have recently been found to demonstrate a unique contraction upon exposure to organic solvents. This response is dependent upon which organic solvent is employed, and fundamental questions have not been clarified regarding the correlation of the magnitude of the film contraction with solvent type. In this work, we used solubility parameters to analyze the response of branched poly(ethylene imine)/poly(acrylic acid) (BPEI/PAA) multilayers when exposed to a variety of solvents. BPEI/PAA multilayers were immersed in a series of 16 different organic solvents and solvent mixtures. Immersion in organic solvent caused film dehydration and therefore contraction and also induced changes in the mechanical properties of PEMs. The film thickness was the best predictor of how a film swelled in water or contracted in organic solvent when using different batches of commercially available polyelectrolytes, rather than polyelectrolyte assembly pH conditions. The degree of film contraction was correlated with Hansen and Kamlet-Taft solubility parameters as well as solvent dielectric constant. In most cases, the hydrogen bonding ability of solvents is the primary factor to determine the magnitude of film contraction. For these solvents, increasing the temperature which corresponds to decreasing the strength of hydrogen bonding, also decreases the ability to dehydrate the films. For solvents that do not follow these trends with the strength of hydrogen bonding, a stronger correlation was found between contraction and dielectric constant, indicating that both traditional solvent quality arguments and electrostatics are important to understanding the contraction of PEMs in organic solvents. PMID:26699080

  5. Reactive p-block cations stabilized by weakly coordinating anions.

    PubMed

    Engesser, Tobias A; Lichtenthaler, Martin R; Schleep, Mario; Krossing, Ingo

    2016-02-21

    The chemistry of the p-block elements is a huge playground for fundamental and applied work. With their bonding from electron deficient to hypercoordinate and formally hypervalent, the p-block elements represent an area to find terra incognita. Often, the formation of cations that contain p-block elements as central ingredient is desired, for example to make a compound more Lewis acidic for an application or simply to prove an idea. This review has collected the reactive p-block cations (rPBC) with a comprehensive focus on those that have been published since the year 2000, but including the milestones and key citations of earlier work. We include an overview on the weakly coordinating anions (WCAs) used to stabilize the rPBC and give an overview to WCA selection, ionization strategies for rPBC-formation and finally list the rPBC ordered in their respective group from 13 to 18. However, typical, often more organic ion classes that constitute for example ionic liquids (imidazolium, ammonium, etc.) were omitted, as were those that do not fulfill the - naturally subjective -"reactive"-criterion of the rPBC. As a rule, we only included rPBC with crystal structure and only rarely refer to important cations published without crystal structure. This collection is intended for those who are simply interested what has been done or what is possible, as well as those who seek advice on preparative issues, up to people having a certain application in mind, where the knowledge on the existence of a rPBC that might play a role as an intermediate or active center may be useful. PMID:26612538

  6. Reactive p-block cations stabilized by weakly coordinating anions

    PubMed Central

    Engesser, Tobias A.; Lichtenthaler, Martin R.; Schleep, Mario

    2016-01-01

    The chemistry of the p-block elements is a huge playground for fundamental and applied work. With their bonding from electron deficient to hypercoordinate and formally hypervalent, the p-block elements represent an area to find terra incognita. Often, the formation of cations that contain p-block elements as central ingredient is desired, for example to make a compound more Lewis acidic for an application or simply to prove an idea. This review has collected the reactive p-block cations (rPBC) with a comprehensive focus on those that have been published since the year 2000, but including the milestones and key citations of earlier work. We include an overview on the weakly coordinating anions (WCAs) used to stabilize the rPBC and give an overview to WCA selection, ionization strategies for rPBC-formation and finally list the rPBC ordered in their respective group from 13 to 18. However, typical, often more organic ion classes that constitute for example ionic liquids (imidazolium, ammonium, etc.) were omitted, as were those that do not fulfill the – naturally subjective – “reactive”-criterion of the rPBC. As a rule, we only included rPBC with crystal structure and only rarely refer to important cations published without crystal structure. This collection is intended for those who are simply interested what has been done or what is possible, as well as those who seek advice on preparative issues, up to people having a certain application in mind, where the knowledge on the existence of a rPBC that might play a role as an intermediate or active center may be useful. PMID:26612538

  7. Weak Coordination as a Powerful Means for Developing Broadly Useful CH Functionalization Reactions

    PubMed Central

    Engle, Keary M.; Mei, Tian-Sheng; Wasa, Masayuki

    2011-01-01

    Conspectus Reactions that convert carbonhydrogen (CH) bonds into carboncarbon (CC) or carbonheteroatom (CY) bonds are attractive tools for organic chemists, potentially expediting the synthesis of target molecules through new disconnections in retrosynthetic analysis. Despite extensive inorganic and organometallic study of the insertion of homogeneous metal species into unactivated CH bonds, practical applications of this technology in organic chemistry are still rare. Only in the past decade have metal-catalyzed CH functionalization reactions become more widely utilized in organic synthesis. Research in the area of homogeneous transition metalcatalyzed CH functionalization can be broadly grouped into two subfields. They reflect different approaches and goals and thus have different challenges and opportunities. One approach involves reactions of completely unfunctionalized aromatic and aliphatic hydrocarbons, which we refer to as first functionalization. Here the substrates are nonpolar and hydrophobic and thus interact very weakly with polar metal species. To overcome this weak affinity and drive metal-mediated CH cleavage, chemists often use hydrocarbon substrates in large excess (for example, as solvent). Because highly reactive metal species are needed in first functionalization, controlling the chemoselectivity to avoid over-functionalization is often difficult. Additionally, because both substrates and products are comparatively low-value chemicals, developing cost-effective catalysts with exceptionally high turnover numbers that are competitive with alternatives (including heterogeneous catalysts) is challenging. Although an exciting field, first functionalization is beyond the scope of this Account. The second subfield of CH functionalization involves substrates containing one or more pre-existing functional groups, termed further functionalization. One advantage of this approach is that the existing functional group (or groups) can be used to chelate the metal catalyst and position it for selective CH cleavage. Precoordination can overcome the paraffin nature of CH bonds by increasing the effective concentration of the substrate so that it needn't be used as solvent. From a synthetic perspective, it is desirable to use a functional group that is an intrinsic part of the substrate so that extra steps for installation and removal of an external directing group can be avoided. In this way, dramatic increases in molecular complexity can be accomplished in a single stroke through stereo- and site-selective introduction of a new functional group. Although reactivity is a major challenge (as with first functionalization), the philosophy in further functionalization differsthe major challenge is developing reactions that work with predictable selectivity in intricately functionalized contexts on commonly occurring structural motifs. In this Account, we focus on an emergent theme within the further functionalization literature: the use of commonly occurring functional groups to direct CH cleavage through weak coordinations. We discuss our motivation for studying Pd-catalyzed CH functionalization assisted by weakly coordinating functional groups and chronicle our endeavors to bring reactions of this type to fruition. Through this approach, we have developed reactions with a diverse range of substrates and coupling partners, with the broad scope likely stemming from higher reactivity of the less stable cyclopalladated intermediates held in place by weak coordinations. PMID:22166158

  8. Rhenium complexes with weakly coordinating solvent ligands, cis[Re(PR{sub 3})(CO){sub 4}(L)][BAr{sub F}], L = CH{sub 2}Cl{sub 2}, Et{sub 2}O, NC{sub 5}F{sub 5}: Decomposition to chloride-bridged dimers in CH{sub 2}Cl{sub 2} solution

    SciTech Connect

    Huhmann-Vincent, J.; Scott, B.L.; Kubas, G.J.

    1999-01-11

    The solvent-coordinated complexes [cis-Re(CO){sub 4}(PR{sub 3})(S)][BAr{sub F}] (R = Ph, {sup i}Pr, Cy, BAr{sub F} = [B(3,5-(CF{sub 3}){sub 2}C{sub 6}H{sub 3}){sub 4}]{sup {minus}}) for S = Et{sub 2}O, CH{sub 2}Cl{sub 2}, and NC{sub 5}F{sub 5} have been prepared from reaction of the neutral methyl precursors, cis-Re-(CO){sub 4}(PR{sub 3})(Me), with either [H(OEt{sub 2}){sub 2}][BAr{sub F}] or [Ph{sub 3}C][BAr{sub F}] in the appropriate solvent. A crystal structure of the complex [cis-Re(CO){sub 4}(P{sup i}Pr{sub 3})(ClCH{sub 2}Cl)][BAr{sub F}] shows that the dichloromethane ligand is coordinated through one chlorine, with an Re-Cl distance of 2.554(2) {angstrom}. The first example of a structurally characterized pentafluoropyridine complex of rhenium was also determined, [cis-Re(CO){sub 4}(P{sup i}Pr{sub 3})(NC{sub 5}F{sub 5})][BAr{sub F}], with an Re-N distance of 2.319(5) {angstrom}. Activation of C-Cl bonds in the dichloromethane complexes result in the formation of the chloride-bridged dimers, {l_brace}[cis-Re(CO){sub 4}(PR{sub 3})]{sub 2}({mu}-Cl){r_brace}{l_brace}BAr{sub f}{r_brace}, and the X-ray structures of the Ph and Cy derivatives were determined.

  9. A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism

    SciTech Connect

    Li, Xiu-Hua; Zhang, Qi; Hu, Ping

    2014-10-15

    A multifunctional homochiral coordination polymer, [Co(H{sub 2}O)(BDC)(4,4?-BPY)]?3H{sub 2}O (1) (H{sub 2}BDC=1,2-benzenedicarboxylate and 4,4?-BPY=4,4?-bipyridine), has been successfully isolated from Co(II) ions and mixed ligands (1,2-benzenedicarboxylate and 4,4?-bipyridine). Complex 1, which exhibits spontaneous chirality resolution and weak ferromagnetism, is built by chiral helices interconnected via end-to-end 4,4?-BPY bridges into a two-dimensional (2D) layer structure. - Graphical abstract: A 2D cobalt coordination polymer compound showing spontaneous chirality resolution and weak ferromagnetism. - Highlights: A new 2D cobalt mix-ligand coordination polymer complex has been synthesized. The cobalt coordination polymer complex shows spontaneous chirality resolution in solid state. The cobalt coordination polymer complex displays dominant and weak intrachain ferromagnetic interactions.

  10. Coordinative properties of highly fluorinated solvents with amino and ether groups.

    PubMed

    Boswell, Paul G; Lugert, Elizabeth C; Rbai, Jzsef; Amin, Elizabeth A; Bhlmann, Philippe

    2005-12-01

    Despite 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 pK(a) 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 nonexistent. 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, T(g), of -18.5 degrees 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

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

    PubMed Central

    Boswell, Paul G.; Lugert, Elizabeth C.; Rbai, Jzsef; Amin, Elizabeth A.; Bhlmann, 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

  12. Dynamic effects of nonequilibrium solvation: Potential and free energy surfaces for Z/E isomerization in solvent-solute coordinates

    NASA Astrophysics Data System (ADS)

    Dhaliwal, Manjinder; Basilevsky, Michael V.; Weinberg, Noham

    2007-06-01

    A novel definition of a solvent coordinate associated with a given reaction is formulated in terms of molecular-dynamic trajectories of the solvent and is applied to discuss the topography of potential energy and free energy surfaces of model liquid phase Z/E isomerization reactions in solvent-solute coordinates. It is shown that the arrangement of the reactant and product valleys on these surfaces can vary from consecutive to parallel, depending on the strength of the solvent-solute interactions.

  13. Preparation of cadmium selenide colloidal quantum dots in non-coordinating solvent octadecene

    NASA Astrophysics Data System (ADS)

    Mazing, D. S.; Brovko, A. M.; Matyushkin, L. B.; Aleksandrova, O. A.; Moshnikov, V. A.

    2015-12-01

    Nearly monodisperse cadmium selenide quantum dots (QDs) were synthesized in non-coordinating solvent octadecene through phosphine-free method using oleic acid as surfactant. Selenium powder suspension in octadecene obtained by ultrasound processing was used as one of precursor solutions. Influence of multiple selenium precursor injections on nanocrystal growth process was investigated. Nanoparticles were characterized by means of absorption and photoluminescence spectroscopies.

  14. Anions, solvents and spacer ligands assisted hydrogen-bonding coordination frameworks from tripodal ntb ligands

    NASA Astrophysics Data System (ADS)

    Pan, Mei; Lan, Mei-Hua; Jiang, Ji-Jun; Yang, Qing-Yuan; Su, Cheng-Yong

    2010-09-01

    Four new hydrogen-bonding (HB) coordination frameworks were synthesized and structurally characterized by using tris(2-benzimidazoylmethyl)amine (ntb) to react with different transition metal salts, which show diversified coordination motifs and hydrogen extending modes due to the contribution of counter-anions, methanol solvents, or spacer ligands, respectively. Among which, complexes 1 and 2 show mononuclear coordination units, connected by abundant N-H⋯N and N-H⋯O bonds formed between the units with trifluoromethanesulfonate (OTf -), azide ( N3-) anions or methanol solvents into 2D sheets, which are further connected by C-H⋯O or ?⋯? interactions into 3D topological nets; while in complexes 3 and 4, the spacer ligands 4-(pyridin-4-yl)pyridine (4'4-bipy) or 4,4'-bipyridine 1,1'-dioxide (dbpo) also participate in the coordination, resulting in either dinuclear coordination units linked by hydrogen-bonding into (4, 4) net or two different kinds of mononuclear units further extended by hydrogen-bonding into array of helical chains.

  15. Calculation of Vibrational Spectra of Coordinated Perchlorate Ion in Dipolar Aprotic Solvents

    NASA Astrophysics Data System (ADS)

    Mikhailov, G. P.

    2014-09-01

    The vibrational spectrum of perchlorate ion coordinated to Li+, Na+, and Mg2+ cations in dipolar aprotic solvents (DAS) was studied using Hartree-Fock methods not taking into account (RHF) and accounting partially for electron correlation (MP2) and B3LYP density functional theory within the polarized continuum model (PCM). Experimental and calculated spectrum-structure correlations for coordinated perchlorate-ion complexes in DAS were analyzed. It was found that the best fi t of the experimental and calculated vibrational spectra was achieved by taking into account the electron correlation and non-specific solvation.

  16. Four unexpected lanthanide coordination polymers involving in situ reaction of solvent N, N-Dimethylformamide

    NASA Astrophysics Data System (ADS)

    Jin, Jun-Cheng; Tong, Wen-Quan; Fu, Ai-Yun; Xie, Cheng-Gen; Chang, Wen-Gui; Wu, Ju; Xu, Guang-Nian; Zhang, Ya-Nan; Li, Jun; Li, Yong; Yang, Peng-Qi

    2015-05-01

    Four unexpected 2D lanthanide coordination polymers have been synthesized through in situ reactions of DMF solvent under solvothermal conditions. The isostructural complexes 1-3 contain four types of 21 helical chains. While the Nd(III) ions are bridged through μ2-HIDC2- and oxalate to form a 2D sheet along the bc plane without helical character in 4. Therefore, complex 1 exhibits bright red solid-state phosphorescence upon exposure to UV radiation at room temperature.

  17. Unusual Transformation from a Solvent-Stabilized 1D Coordination Polymer to a Metal-Organic Framework (MOF)-Like Cross-Linked 3D Coordination Polymer.

    PubMed

    Lee, Seung-Chul; Choi, Eun-Young; Lee, Sang-Beom; Kim, Sang-Wook; Kwon, O-Pil

    2015-10-26

    An unusual 1D-to-3D transformation of a coordination polymer based on organic linkers containing highly polar push-pull ?-conjugated side chains is reported. The coordination polymers are synthesized from zinc nitrate and an organic linker, namely, 2,5-bis{4-[1-(4-nitrophenyl)pyrrolidin-2-yl]butoxy}terephthalic acid, which possesses highly polar (4-nitrophenyl)pyrrolidine groups, with high dipole moments of about 7?D. The coordination polymers exhibit an unusual transformation from a soluble, solvent-stabilized 1D coordination polymer into an insoluble, metal-organic framework (MOF)-like 3D coordination polymer. The coordination polymer exhibits good film-forming ability, and the MOF-like films are insoluble in conventional organic solvents. PMID:26493879

  18. Reversible and selective solvent adsorption in layered metal-organic frameworks by coordination control.

    PubMed

    Yin, Xinbo; Chen, Haohong; Song, Yuna; Wang, Yang; Li, Qiaowei; Zhang, Lijuan

    2014-01-01

    With various functionalities in the framework and high thermal stability, metal-organic frameworks (MOFs) have been extensively studied for the applications in adsorption and separation. In last decade, synthesizing new MOFs with desired structures and improved chemical stability to meet these applications has drawn great attention. In this report, by using an organic ligand with azolate moiety, benzo-bis(imidazole) (H2BBI), we synthesized two new 2D layered MOF structures with distinct topologies. Framework 1 {[Zn2Cl2(BBI)(MSM)2]n, MSM=methylsulfonylmethane}, constructed from tetrahedral Zn(II) and BBI, maintains its structure in organic solvents, such as methanol and benzene, and even in water. Meanwhile, framework 2 {[Cd2Cl2(BBI)(DMSO)2]n, DMSO=dimethyl sulfoxide} differs from framework 1, and is assembled from trigonal bipyramidal Cd(II) and square planar BBI. By removing the DMSO molecules coordinated to Cd(II) (25 weight% of the structure), 2 could transform to 3 {[Cd2Cl2(BBI)]n}, which was further characterized by high-resolution powder X-ray diffraction. The solvent-free 3 retains the original connectivity within each layer, and is capable of reversible and selective adsorption of DMSO molecules. The bistable four- and five-coordinated geometry exchange of Cd(II) is the origin of this adsorption with improved selectivity and capacity. PMID:24183447

  19. 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.

  20. 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.

    2015-10-15

    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.

  1. Retrieval-based face annotation by weak label regularized local coordinate coding.

    PubMed

    Wang, Dayong; Hoi, Steven C H; He, Ying; Zhu, Jianke; Mei, Tao; Luo, Jiebo

    2014-03-01

    Auto face annotation, which aims to detect human faces from a facial image and assign them proper human names, is a fundamental research problem and beneficial to many real-world applications. In this work, we address this problem by investigating a retrieval-based annotation scheme of mining massive web facial images that are freely available over the Internet. In particular, given a facial image, we first retrieve the top $(n)$ similar instances from a large-scale web facial image database using content-based image retrieval techniques, and then use their labels for auto annotation. Such a scheme has two major challenges: 1) how to retrieve the similar facial images that truly match the query, and 2) how to exploit the noisy labels of the top similar facial images, which may be incorrect or incomplete due to the nature of web images. In this paper, we propose an effective Weak Label Regularized Local Coordinate Coding (WLRLCC) technique, which exploits the principle of local coordinate coding by learning sparse features, and employs the idea of graph-based weak label regularization to enhance the weak labels of the similar facial images. An efficient optimization algorithm is proposed to solve the WLRLCC problem. Moreover, an effective sparse reconstruction scheme is developed to perform the face annotation task. We conduct extensive empirical studies on several web facial image databases to evaluate the proposed WLRLCC algorithm from different aspects. The experimental results validate its efficacy. We share the two constructed databases "WDB" (714,454 images of 6,025 people) and "ADB" (126,070 images of 1,200 people) with the public. To further improve the efficiency and scalability, we also propose an offline approximation scheme (AWLRLCC) which generally maintains comparable results but significantly reduces the annotation time. PMID:24457510

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

    PubMed

    Moritz, Ralf; Wagner, Manfred; Schollmeyer, Dieter; Baumgarten, Martin; Mllen, 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

  3. Distinct dissociation kinetics between ion pairs: Solvent-coordinate free-energy landscape analysis

    NASA Astrophysics Data System (ADS)

    Yonetani, Yoshiteru

    2015-07-01

    Different ion pairs exhibit different dissociation kinetics; however, while the nature of this process is vital for understanding various molecular systems, the underlying mechanism remains unclear. In this study, to examine the origin of different kinetic rate constants for this process, molecular dynamics simulations were conducted for LiCl, NaCl, KCl, and CsCl in water. The results showed substantial differences in dissociation rate constant, following the trend kLiCl < kNaCl < kKCl < kCsCl. Analysis of the free-energy landscape with a solvent reaction coordinate and subsequent rate component analysis showed that the differences in these rate constants arose predominantly from the variation in solvent-state distribution between the ion pairs. The formation of a water-bridging configuration, in which the water molecule binds to an anion and a cation simultaneously, was identified as a key step in this process: water-bridge formation lowers the related dissociation free-energy barrier, thereby increasing the probability of ion-pair dissociation. Consequently, a higher probability of water-bridge formation leads to a higher ion-pair dissociation rate.

  4. Salts of highly fluorinated weakly coordinating anions as versatile precursors towards hydrogen storage materials.

    PubMed

    Starobrat, A; Tyszkiewicz, M J; Wegner, W; Pancerz, D; Or?owski, P A; Leszczy?ski, P J; Fijalkowski, K J; Jaro?, T; Grochala, W

    2015-12-01

    We report the most recent results related to application of a metathetic pathway towards mixed-metal borohydrides. The synthetic protocol utilizes highly-fluorinated weakly coordinating anion salts as precursors. We discuss the technicalities related to the use of fluorine-rich anions as well as the improvements which are still needed to deliver high-purity materials with potential applications for hydrogen storage. The applicability of the method is expanded beyond the previously described complex borohydrides of alkali metal Zn or Y, towards the systems containing Mg(II), Sc(III), Mn(II), or Eu(III). We have prepared for the first time [Ph4P]2[Mn(BH4)4] and [Me4N]2[Mg(BH4)4], solved their crystal structures from powder x-ray diffraction, and used selected organic metal borohydride derivatives as precursors towards mixed-metal borohydrides (K2Mn(BH4)4, Rb3Mg(BH4)5, etc.). We have also prepared [Ph4P][Eu(BH4)4], which is the first derivative of Eu(III) in the homoleptic environment of borohydride anions. PMID:26242623

  5. Solvent-dependent zinc(II) coordination polymers with mixed ligands: selective sorption and fluorescence sensing.

    PubMed

    Hua, Ji-Ai; Zhao, Yue; Kang, Yan-Shang; Lu, Yi; Sun, Wei-Yin

    2015-07-01

    Starting from the same metal salts and mixed organic ligands of 1,3,5-tris(1-imidazolyl)benzene (tib) and 2-bromo-1,4-benzenedicarboxylic acid (H2BDC-Br), two novel zinc(II) coordination polymers [Zn2(tib)2(BDC-Br)]22SO417H2O (1) and [Zn4(tib)2(BDC-Br)3(H2O)4SO4]7.5H2O2.5DMF (2) (DMF = N,N-dimethylformamide) were obtained by using different solvent systems of DMF/H2O and DMF/EtOH/H2O, respectively. 1 is an unusual (3,4)-connected 3D net with a Point symbol of {4810(4)}{4810}, while 2 is a complicated 1D chain, which is further connected to form a 3D supramolecular architecture by hydrogen bonding interactions. In particular, 1 and 2 exhibit selective adsorption of CO2 over N2 and show good selectivity for detection of acetone via fluorescence quenching. PMID:26032187

  6. Weak coordination among petiole, leaf, vein, and gas-exchange traits across 41 Australian angiosperm species and its possible implications

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Background and Aims Close coordination between leaf gas exchange and maximal hydraulic supply has been reported across diverse plant life-forms. However, recent reports suggest that this relationship may become weak or break down completely within the angiosperms. Methods To examine this possi...

  7. Coordination conversion of cobalt(II) in binary aqueous-organic solvents

    SciTech Connect

    Khvostova, N.O.; Karapetyan, G.O.; Yanush, O.V.

    1985-11-01

    It has been shown that the thermochromic conversions of cobalt(II) in binary solvents are influenced by a number of factors: the nature of the solvent, the strength of the complexes of octahedral symmetry formed, the outer-sphere influence of the solvent on the complexes, the form of the anion, the solvation of the participants in the reaction, and the interaction of the components of the solvent with one another. A correlation between the strength and the spectral position of the absorption bands of the complexes of the activator has been established, and a spectroscopic criterion for selecting the solvents has been proposed. The expediency of using binary solvents to create effective thermochromic media with variable phototransmission has been substantiated.

  8. Palladium-Catalyzed Site-Selective C-H Functionalization of Weakly Coordinating Sulfonamides: Synthesis of Biaryl Sulfonamides.

    PubMed

    Vanjari, Rajeshwer; Guntreddi, Tirumaleswararao; Singh, Krishna Nand

    2016-03-01

    A novel and site selective C-H functionalization of unsubstituted sulfonamides has been developed for the synthesis of ortho aryl sulfonamides. The reaction involves highly regioselective ortho mono arylation of weakly coordinating SO2 NH2 directing group by means of aryl iodides. Palladium acetate in the presence of silver(I) oxide is found to be the most effective catalytic system. PMID:26763530

  9. Weak coordination of neutral S- and O-donor proximal ligands to a ferrous porphyrin nitrosyl. Characterization of 6-coordinate complexes at low T.

    PubMed

    Martirosyan, G G; Kurtikyan, T S; Azizyan, A S; Iretskii, A V; Ford, P C

    2013-04-01

    The interaction of the S- and O-donor ligands tetrahydrothiophen (THT) and tetrahydrofuran (THF) with the ferrous nitrosyl complex Fe(TTP)(NO) (TTP(2-) is meso-tetra-p-tolyl-porphyrinatodianion) was studied at various temperatures both in solid state and solution using electronic and infrared absorption spectroscopy. Upon addition of these ligands to a cryostat containing sublimed layers of Fe(TTP)(NO), no complex formation was detected at room temperature. However, upon lowering the temperature, spectral changes were observed that are consistent with ligand binding in axial position trans to the NO (the proximal site) and formation of the six-coordinate adducts. Analogous behavior was observed in solution. In both media, the six-coordinate adducts are stable only at low temperature and dissociate to the 5-coordinate nitrosyl complexes upon warming. The NO stretching frequencies of the six-coordinate thioether and ether complexes were recorded and binding constants for the weak bonding of proximal THF and THT ligands were determined from the spectral changes. These parameters are compared with those obtained for the N-donor ligand pyrrolidine. PMID:23376554

  10. Solvent induced rapid modulation of micro/nano structures of metal carboxylates coordination polymers: mechanism and morphology dependent magnetism

    PubMed Central

    Liu, Kun; Shen, Zhu-Rui; Li, Yue; Han, Song-De; Hu, Tong-Liang; Zhang, Da-Shuai; Bu, Xian-He; Ruan, Wen-Juan

    2014-01-01

    Rational modulation of morphology is very important for functional coordination polymers (CPs) micro/nanostructures, and new strategies are still desired to achieve this challenging target. Herein, organic solvents have been established as the capping agents for rapid modulating the growth of metal-carboxylates CPs in organic solvent/water mixtures at ambient conditions. Co-3,5-pyridinedicarboxylate (pydc) CPs was studied here as the example. During the reaction, the organic solvents exhibited three types of modulation effect: anisotropic growth, anisotropic growth/formation of new crystalline phase and the formation of new crystalline phase solely, which was due to the variation of their binding ability with metal cations. The following study revealed that the binding ability was critically affected by their functional groups and molecular size. Moreover, their modulation effect could be finely tuned by changing volume ratios of solvent mixtures. Furthermore, they could be applied for modulating other metal-carboxylates CPs: Co-1,3,5-benzenetricarboxylic (BTC), Zn-pydc and Eu-pydc etc. Additionally, the as-prepared Co-pydc CPs showed a fascinating morphology-dependent antiferromagnetic behavior. PMID:25113225

  11. Layer-by-layer modification of high surface curvature nanoparticles with weak polyelectrolytes using a multiphase solvent precipitation process.

    PubMed

    Nagaraja, Ashvin T; You, Yil-Hwan; Choi, Jeong-Wan; Hwang, Jin-Ha; Meissner, Kenith E; McShane, Michael J

    2016-03-15

    The layer-by-layer modification of ≈5nm mercaptocarboxylic acid stabilized gold nanoparticles was studied in an effort to illustrate effective means to overcome practical issues in handling and performing surface modification of such extremely small materials. To accomplish this, each layer deposition cycle was separated into a multi-step process wherein solution pH was controlled in two distinct phases of polyelectrolyte adsorption and centrifugation. Additionally, a solvent precipitation step was introduced to make processing more amenable by concentrating the sample and exchanging solution pH before ultracentrifugation. The pH-dependent assembly on gold nanoparticles was assessed after each layer deposition cycle by monitoring the plasmon peak absorbance location, surface charge, and the percentage of nanoparticles recovered. The selection of solution pH during the adsorption phase was found to be a critical parameter to enhance particle recovery and maximize surface charge when coating with weak polyelectrolytes. One bilayer was deposited with a high yield and the modified particles exhibited enhanced colloidal stability across a broad pH range and increased ionic strength. These findings support the adoption of this multi-step processing approach as an effective and generalizable approach to improve stability of high surface curvature particles. PMID:26771506

  12. Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand

    NASA Astrophysics Data System (ADS)

    Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz

    2015-11-01

    Three new coordination polymers [Mn(hip)(phen) (H2O)]n (1), [Co(hip)(phen) (H2O)]n (2), and [Cd(hip) (phen) (H2O)]n (3) (H2hip=5-hydroxyisophthalic acid; phen=1,10-phenanthroline) have been synthesized by solvo-hydrothermal method using diethyl formamide-water (DEF-H2O) as solvent system. Single-crystal X-ray diffraction analysis reveals that all three coordination polymers 1, 2 and 3 crystallize in monoclinic space group P2/n. Metal ions are inter-connected by hydroxyisophthalate anions forming zig-zag 1D chain. 1D chains are further inter-connected by hydrogen bonding and π-π stacking interactions leading to 3D supramolecular architecture. Hydrogen-bonding and π-π stacking provide thermal stability to polymers. Compounds 1 and 2 are paramagnetic at room temperature and variable temperature magnetic moment measurements revealed weak ferromagnetic interactions between metal ions at low temperature. Compound 3 exhibits excellent photoluminescence with large Stokes shift.

  13. Ionic liquids as solvents of polar and non-polar solutes: affinity and coordination.

    PubMed

    Rezabal, Elixabete; Schfer, Thomas

    2015-06-14

    The use of ionic liquids (ILs) as highly tuneable solvents requires a deep understanding of the intermolecular interactions they can establish with the solutes. In the present work, we study the solvation patterns of two small but highly important molecules in the framework of IL properties and applications, namely H2O and CO2. Density functional theory (DFT) and ab initio molecular dynamics (AIMD) techniques are used for a systematic study of the interactions established between the solute and the solvent, identifying the influence of the non specific and specific interactions on the affinity of the IL for the solute, and how these interactions change with the surrounding environment. The nature, spatial distribution and strength of these interactions are described by means of topological analysis of the electronic density of the system. PMID:25967081

  14. Weak coordination among petiole, leaf, vein, and gas-exchange traits across Australian angiosperm species and its possible implications.

    PubMed

    Gleason, Sean M; Blackman, Chris J; Chang, Yvonne; Cook, Alicia M; Laws, Claire A; Westoby, Mark

    2016-01-01

    Close coordination between leaf gas exchange and maximal hydraulic supply has been reported across diverse plant life forms. However, it has also been suggested that this relationship may become weak or break down completely within the angiosperms. We examined coordination between hydraulic, leaf vein, and gas-exchange traits across a diverse group of 35 evergreen Australian angiosperms, spanning a large range in leaf structure and habitat. Leaf-specific conductance was calculated from petiole vessel anatomy and was also measured directly using the rehydration technique. Leaf vein density (thought to be a determinant of gas exchange rate), maximal stomatal conductance, and net CO 2 assimilation rate were also measured for most species (n = 19-35). Vein density was not correlated with leaf-specific conductance (either calculated or measured), stomatal conductance, nor maximal net CO 2 assimilation, with r (2) values ranging from 0.00 to 0.11, P values from 0.909 to 0.102, and n values from 19 to 35 in all cases. Leaf-specific conductance calculated from petiole anatomy was weakly correlated with maximal stomatal conductance (r (2) = 0.16; P = 0.022; n = 32), whereas the direct measurement of leaf-specific conductance was weakly correlated with net maximal CO 2 assimilation (r (2) = 0.21; P = 0.005; n = 35). Calculated leaf-specific conductance, xylem ultrastructure, and leaf vein density do not appear to be reliable proxy traits for assessing differences in rates of gas exchange or growth across diverse sets of evergreen angiosperms. PMID:26811791

  15. The investigation of the solvent effect on coordination of nicotinato ligand with cobalt(II) complex containing tris(2-benzimidazolylmethyl)amine: A computational study

    NASA Astrophysics Data System (ADS)

    Sayin, Koray; Karakaş, Duran

    2014-11-01

    The electronic structure of [Co(ntb)(nic)]+ complex ion are optimized by using density functional theory (DFT) method with mix basis set. Where (ntb) represents tris(2-benzimidazolylmethyl)amine ligand and (nic) is the anion of nicotinic acids. Six different fields, vacuum, chloroform, butanonitrile, methanol, water and formamide solvents are used in these calculations. The calculated structural parameters indicate that (nic) ligand coordinates to cobalt(II) containing (ntb) ligand with one oxygen atom in butanonitrile, methanol, water and formamide solvents but coordinates with two oxygen atoms in vacuum. These results are supported with IR, UV and 1H NMR spectra. According to the calculated results, the geometry of [Co(ntb)(nic)]+ complex ion is distorted octahedral in vacuum while the geometry is distorted square pyramidal in the all other solvents. Distorted octahedral [Co(ntb)(nic)]+ complex ion have not been synthesized as experimentally and it is predicted with computational chemistry methods.

  16. A versatile solvent-free mechanochemical route to the synthesis of heterometallic dicyanoaurate-based coordination polymers.

    PubMed

    Jobbgy, Csaba; Tunyogi, Tnde; Plinks, Gbor; Dek, Andrea

    2011-08-01

    The solid-state mechanochemical method was proved to be a fast, simple, and efficient route to the synthesis of heterometallic [Au(CN)(2)]-based coordination polymers. Thus, a series of mixed-metal complexes, such as KCo[Au(CN)(2)](3), KNi[Au(CN)(2)](3), Cu(H(2)O)(2)[Au(CN)(2)](2), and Zn[Au(CN)(2)](2), was obtained by grinding stoichiometric amounts of K[Au(CN)(2)] and transition metal(II) chlorides. This solid-state method rapidly yields pure dicyanoaurate-based compounds, also in cases when the aqueous solution synthesis leads to an unseparable mixture of products. In addition, in some cases, the solid state reaction was faster than the corresponding solvent-based reaction. This mechanochemical method can be applied also to main group metals to obtain various cyanoaurate-based heterometallic coordination polymers, such as Me(2)Sn[Au(CN)(2)](2) and Ph(3)Sn[Au(CN)(2)]. For the 2:1 mixture of K[Au(CN)(2)] and Me(2)SnCl(2), the dramatic enhancement of the reaction rate by the presence of a minor amount of water was noticed. In Ph(3)Sn[Au(CN)(2)], as was revealed by single-crystal X-ray diffraction, each Ph(3)Sn unit is linked to two others by two Au(CN)(2) bridges via Sn-N bonds to form an infinite cyanide-bridged chain. There are no AuAu contacts between the chains due to the sterical hindrance of the phenyl groups. A dehydrated blue Co[Au(CN)(2)](2) complex was obtained during grinding or heating of the moderate-pink Co(H(2)O)(2)[Au(CN)(2)](2) complex. This complex displays a vapochromic response when exposed to a variety of organic solvents, as well as water and ammonia vapors. PMID:21732608

  17. Effect of Solvent Molecule in Pore for Flexible Porous Coordination Polymer upon Gas Adsorption and Iodine Encapsulation.

    PubMed

    Ar?c?, Mrsel; Ye?ilel, Okan Zafer; Ta?, Murat; Demiral, Hakan

    2015-12-01

    Four new Zn(II)-coordination polymers, namely, [Zn2(?6-ao2btc)(?-obix)2]n (1), [Zn2(?4-ao2btc)(?-obix)2]n (2), [Zn2(?4-ao2btc)(?-mbix)2]n (3), and {[Zn2(?4-ao2btc)(?-pbix)2]2DMF8H2O}n (4), where ao2btc = dioxygenated form of 3,3',5,5'-azobenzenetetracarboxylate and obix, mbix, and pbix = 1,2-, 1,3-, and 1,4-bis(imidazol-1-ylmethyl)benzene, have been synthesized with azobenzenetetracarboxylic acid and isomeric bis(imidazole) ligands and characterized by elemental analyses, IR spectra, single-crystal X-ray diffraction, powder X-ray diffraction, and thermal analyses. X-ray results showed that 1, 2, and 4 had two-dimensional structures with 3,4L13 topology, while 3 was a three-dimensional coordination polymer with bbf topology. For 4, two types of activation strategies, solvent exchange + heating (which produced 4a) and direct heating (which produced 4b), were used to investigate the effect of a guest molecule in a flexible framework. Gas adsorption and iodine encapsulation properties of activated complexes were studied. The CO2 uptake capacities for 4a and 4b were 3.62% and 9.50%, respectively, and Langmuir surface areas calculated from CO2 isotherms were 167.4 and 350.7 m(2)/g, respectively. Moreover, 4b exhibited 19.65% and 15.27% iodine uptake in vapor phase and cyclohexane solution, respectively, which corresponded to 1.47 and 0.97 molecules of iodine/formula unit, respectively. Moreover, photoluminescence properties of the complexes were studied. PMID:26594910

  18. Weak molecular associations investigated by 1H-NMR spectroscopy on a neat organosiloxane-solvent mixture.

    PubMed

    Klingenfus, J; Palmas, P

    2011-06-14

    The rational design of new sensitive materials for chemical sensors relies on the knowledge of molecular interactions between the chemical species in question with compounds that may potentially be present in the gas phase. In this context, the intermolecular interactions between a family of functionalized polysiloxanes and a series of organic compounds have been investigated. This work addresses the problem of determining the association constant or energy by studying neat liquid mixtures without solvents. An original approach has been proposed to obtain such information from the excess function of the difference in chemical shifts between both interacting species. Data obtained as a function of the composition of the mixtures have been fitted according to two models: either by considering the formation of a 1:1 complex governed by an equilibrium constant or by the existence of a local composition following the Wilson model. Both methods have been tested on model compounds and the results have been compared with solubility enthalpies calculated using Hansen coefficients. PMID:21544286

  19. Substrate binding preferences and pKa determinations of a nitrile hydratase model complex: Variable solvent coordination to [(bmmp-TASN)Fe]OTf

    PubMed Central

    OToole, Martin G.; Bennett, Brian; Mashuta, Mark S.; Grapperhaus, Craig A.

    2009-01-01

    The five-coordinate iron-dithiolate complex (N,N?-4,7-bis-(2?-methyl-2?-mercatopropyl)-1-thia-4,7-diazacyclononane)iron(III), [LFe]+, has been isolated as the triflate salt from reaction of the previously reported LFeCl with thallium triflate. Spectroscopic characterization confirms an S = 1/2 ground state in non-coordinating solvents with room temperature eff = 1.78 B and EPR derived g-values of g1 = 2.06, g2 = 2.03 and g3 = 2.02. [LFe]+ binds a variety of coordinating solvents resulting in six-coordinate complexes [LFe-solvent]+. In acetonitrile the low-spin [LFe-NCMe]+ (g1 = 2.27, g2 = 2.18 and g3 = 1.98) is in equilibrium with [LFe]+ with a binding constant of Keq = 4.03 at room temperature. Binding of H2O, DMF, methanol, DMSO and pyridine to [LFe]+ yields high-spin six-coordinate complexes with EPR spectra that display significant strain in the rhombic zero-field splitting term E/D. Addition of one equivalent of triflic acid to the previously reported diiron species (LFe)2O results in the formation of [(LFe)2OH]OTf, which has been characterized by x-ray crystallography. The aqueous chemistry of [LFe]+ reveals three distinct species as a function of pH: [LFe-OH2]+, [(LFe)2OH]OTf, and (LFe)2O. The pKa values for [LFe-OH2]+ and [(LFe)2OH]OTf are 5.4 .1 and 6.52 .05 respectively. PMID:19166306

  20. Coordinated study of non-seismic and weak seismic events (magnitude M less than 5) using VLF radio links

    NASA Astrophysics Data System (ADS)

    Wolbang, Daniel; Biernat, Helfried K.; Friedrich, Martin; Schwingenschuh, Konrad; Besser, B. P.; Eichelberger, Hans; Prattes, Gustav; Rozhnoi, Alexander; Solovieva, Maria; Biagi, Pier Francesco; Boudjada, Mohammed Y.

    In this study we analyze low seismicity earthquakes (EQs) with magnitudes M < 5 in South Eastern Europe, time period 2011-2013, via very low frequency (VLF) radio links. The main scientific objective of the statistical and event based investigations are reliable characterization of typical seismic and non-seismic variations in the VLF signal. The focus is on robust results, especially for weak EQs, because non-seismic influences could have a strong effect on the analysis. Various electromagnetic methods have been developed in order to study possible earthquake precursor phenomena generated in the lithosphere and then propagating in the atmosphere / ionosphere [1]. The major challenge of this seismo-electromagnetic (SEM) method is to differentiate parameter variations and disentangle seismic from non-seismic sources. In the course of the European radio receiver network (International Network for Frontier Research on Earthquake Precursors, INFREP) radio signals in the VLF/LF frequency range are continuously recorded by dedicated, distributed transmitters. The major VLF receiving station for this study (10-50 kHz, Graz, Austria) operates continuously throughout the year, the selected network-wide temporal resolution is 20 sec, 12 transmitters, located mainly in Europe, are received (amplitude and phase). The facility has a proven high reliability and availability. The VLF links from the transmitters to the receivers are sometimes more, sometimes less influenced by various disturbances. In case the signal is crossing an EQ preparation zone, we are in principle able to detect seismic activity if the signal to noise ratio is high enough [2]. Generally we distinguish between ionospheric or atmospheric disturbances, influences which depend on the EQ properties, and transmitter variations itself. Ionospheric / Atmospheric variations can be generated, e.g. by geomagnetic storms, solar flares or waves in the troposphere. The properties of the sub-ionospheric VLF waveguide are affected by the length of the radio path, the distance to the EQ preparation zone, the parameters of the earthquake (magnitude, depth, type), and daytime / nighttime disturbances. In order to minimize ionospheric influences on the radio path we are considering mainly nighttime periods. Beside the terminator time method, where only the VLF sunrise and sunset period is analyzed, we are using the residual method (2 hours before and after local midnight), where the difference between the monthly mean amplitude and the nighttime variation is calculated. Anomalous signal variations outside the two sigma borderline are used to determine possible seismo-electromagnetic events. We conclude that the coordinated study of seismic and non-seismic signals in VLF links is an essential part in SEM investigations, but - as an outlook - shall be supplemented with complementary methods that explore a wider frequency range. References: [1] O. Molchanov, M. Hayakawa: Seismo-Electromagnetics and related Phenomena: History and latest results, Terrapub, 2008. [2] A. Rozhnoi et al.: Anomalies in VLF radio signals prior Abruzzo earthquake (M=6.3) on 6 April 2009, National Hazards and Earth System Sciences, 9, 1727-1732, 2009.

  1. Micromolding of a Highly Fluorescent Reticular Coordination Polymer: Solvent-Mediated Reconfigurable Polymerization in a Soft Lithographic Mold

    SciTech Connect

    Y You; H Yang; J Chung; J Kim; Y Jung; S Park

    2011-12-31

    Coordination polymerization of pyridine-based ligands and zinc or silver ions was controlled by soft lithographic micromolding in capillaries. The polymer patterns that are produced are highly fluorescent and supramolecularly structured.

  2. 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.

  3. A New Family of Anionic Fe(III) Spin Crossover Complexes Featuring a Weak-Field N2 O4 Coordination Octahedron.

    PubMed

    Takahashi, Kazuyuki; Kawamukai, Kiko; Okai, Mitsunobu; Mochida, Tomoyuki; Sakurai, Takahiro; Ohta, Hitoshi; Yamamoto, Takashi; Einaga, Yasuaki; Shiota, Yoshihito; Yoshizawa, Kazunari

    2016-01-01

    Unprecedented anionic Fe(III) spin crossover (SCO) complexes involving a weak-field O,N,O-tridentate ligand were discovered. The SCO transition was evidenced by the temperature variations in magnetic susceptibility, Mössbauer spectrum, and coordination structure. The DFT calculations suggested that larger coefficients on the azo group in the HOMO-1 of a ligand might contribute to the enhancement of a ligand-field splitting energy. The present anionic SCO complex also exhibited the light- induced excited-spin-state trapping effect. PMID:26642040

  4. Synthesis of the salts of weakly coordination stibate ions & Students' perceptions of two- and three-dimensional animations depicting an oxidation-reduction reaction

    NASA Astrophysics Data System (ADS)

    Rosenthal, Deborah Renee

    2011-12-01

    SYTHESIS OF SALTS OF WEAKLY COORDINATING STIBATE IONS. Weakly coordinating anions have many important applications including olefin polymerization co-catalysis. In an attempt to make tristibic acid, distibic acid and tetrastibic acid were made. Cesium, barium, nickel(II), and diethylammonium salts of tetrastibic acid were also synthesized. Tetrastibic acid and the ammonium salts were concluded to be stable. Elemental analyses showed that neither tristibic acid nor tristibic acid were stable under the reaction conditions employed. STUDENTS' PERCEPTIONS OF TWO- AND THREE-DIMENSIONAL ANIMATIONS DEPICTING AN OXIDATION-REDUCATION REACTION. Electrochemistry is a difficult subject for many students to comprehend. In order to improve teaching in this area of chemistry, semi-structured clinical interviews on second-semester introductory chemistry students were conducted in which students' were asked to explain the particulate behavior of the chemicals in an oxidation-reduction reaction. The interviews included questions after students viewed the chemical demonstration and two computer animations depicting the particulate nature of the same chemical reaction. Misinterpretations of the two animations were identified and described in detail. The simpler 2-D animation was beneficial in helping students understand the oxidation-reduction reaction and write the balanced chemical equation. However, the 3-D animation did not appear to be detrimental to student understanding. Suggestions, taken from the students' comments in the interviews, for improving the animations and for teaching electrochemistry were discussed.

  5. 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]2H2O2NO3}n (), {[Co(L)(ppda)]2H2O}n (), {[Co2(L)(ppda)2]2H2O}n (), {[Co(L)(nba)]5H2O}n (), and {[Co(L)(oba)]23H2O}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

  6. Ag coordination compounds of a bifunctional diaminotriazine-imidazole ligand with various anions and solvents: Synthesis, structures, photoluminescence, and thermal properties

    NASA Astrophysics Data System (ADS)

    Mei, Hong-Xin; Huang, Hua-Qi; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun

    2016-03-01

    Six coordination compounds of Ag(I) and 2,4-diamino-6-[2-(2-methyl-1-imidazolyl)ethyl]-1,3,5-triazine (L, Ag:L = 1:2) with different anions and solvents, namely, [Ag(L)2]•(NO3)•4(H2O) (1), [Ag(L)2 ] · 1 / 2 (nds) ·(MeOH) ·(H2O) (2, H2nds = 1,5-naphthalenedisulfonic acid), [Ag(L)2 ] · 1 / 2 (nds) ·(MeOH) · 5 / 2 (H2O) (3), [Ag(L)2 ] · 1 / 2 (nds) ·(CH3CN) (4), [Ag(L)2]•(ClO4)•(MeOH)•(H2O) (5), and [Ag(L)2]•(ClO4)•2(H2O) (6), have been synthesized and characterized by elemental analysis, IR, PXRD and X-ray single-crystal diffraction. In these compounds, each Ag(I) ion is ligated by two imidazole nitrogens to form a Ag(L)2 unit. The anions and solvents determine hydrogen-bonding between the DAT groups links the Ag(L)2 units whether to form chains in 1 and 2 or layers in 3-6. In addition, thermogravimetric analysis (TGA) and luminescent properties of these compounds were also investigated.

  7. A series of phenyl sulfonate metal coordination polymers as catalysts for one-pot Biginelli reactions under solvent-free conditions.

    PubMed

    Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Wang, Jun-Jie; Ng, Seik Weng

    2015-10-28

    Three new metal coordination polymers, namely, [Co(DPP)2(H2O)2](BS)22H2O (1), [Co(DPP)2(H2O)2](ABS)22H2O (2) and [Co(DPP)2(MBS)2] (3) [DPP = 1,3-di(pyridin-4-yl)propane, BS = phenyl sulfonic acid, ABS = p-aminobenzene sulfonic acid, MBS = p-methylbenzene sulfonic acid] were obtained under hydrothermal conditions. Complexes 1-3 were structurally characterized using X-ray single-crystal diffraction, XRD and IR spectroscopy. Both complexes 1 and 2 display a 1D tape structure. Meanwhile, complex 3 exhibits a 2D layer and further stacks via C-H? interactions to generate a three-dimensional supramolecular architecture. These three metal coordination polymers have been applied as catalysts for the green synthesis of a variety of 3,4-dihydropyrimidin-2(1H)-ones under solvent-free conditions through the Biginelli reaction. Interestingly, the catalysis products have been obtained in high yields under eco-friendly synthesis conditions. PMID:26399501

  8. 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.

  9. Microscopic solvation of a lithium atom in water-ammonia mixed clusters: Solvent coordination and electron localization in presence of a counterion

    SciTech Connect

    Pratihar, Subha; Chandra, Amalendu

    2008-07-14

    The microsolvation structures and energetics of water-ammonia mixed clusters containing a lithium atom, i.e., Li(H{sub 2}O){sub n}(NH{sub 3}), n=1-5, are investigated by means of ab initio theoretical calculations. Several structural aspects such as the solvent coordination to the metal ion and binding motifs of the free valence electron of the metal are investigated. We also study the energetics aspects such as the dependence of vertical ionization energies on the cluster size, and all these structural and energetics aspects are compared to the corresponding results of previously studied anionic water-ammonia clusters without a metal ion. It is found that the Li-O and Li-N interactions play a very important role in stabilizing the lithium-water-ammonia clusters, and the presence of these metal ion-solvent interactions also affect the characteristics of electron solvation in these clusters. This is seen from the spatial distribution of the singly occupied molecular orbital (SOMO) which holds the ejected valence electron of the Li atom. For very small clusters, SOMO electron density is found to exist mainly at the vicinity of the Li atom, whereas for larger clusters, it is distributed outside the first solvation shell. The free dangling hydrogens of water and ammonia molecules are involved in capturing the SOMO electron density. In some of the conformers, OH(e)HO and OH(e)HN types of interactions are found to be present. The presence of the metal ion at the center of the cluster ensures that the ejected electron is solvated at a surface state only, whereas both surface and interiorlike states were found for the free electron in the corresponding anionic clusters without a metal ion. The vertical ionization energies of the present clusters are found to be higher than the vertical detachment energies of the corresponding anionic clusters which signify a relatively stronger binding of the free electron in the presence of the positive metal counterion. The shifts in different vibrational frequencies are also calculated for the larger clusters, and the results are discussed for some of the selective modes of water and ammonia molecules that are directly influenced by the location and hydrogen bonding state of these molecules in the clusters.

  10. Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.

    PubMed

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

    2014-01-01

    A new, DMF-coordinated, preorganized 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 (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, Mssbauer spectroscopy, EPR spectroscopy, resonance Raman spectroscopy, and cyclic voltammetry. PMID:24359397

  11. 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; Monne-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, Mssbauer spectroscopy, EPR spectroscopy, resonance Raman spectroscopy, and cyclic voltammetry. PMID:24359397

  12. Synthesis, structures, and reactivity of weakly coordinating anions with delocalized borate structure: the assessment of anion effects in metallocene polymerization catalysts.

    PubMed

    Zhou, J; Lancaster, S J; Walker, D A; Beck, S; Thornton-Pett, M; Bochmann, M

    2001-01-17

    The formation of adducts of tris(pentafluorophenyl)borane with strongly coordinating anions such as CN(-) and [M(CN)(4)](2)(-) (M = Ni, Pd) is a synthetically facile route to the bulky, very weakly coordinating anions [CN[B(C(6)F(5))(3)](2)](-) and [M[CNB(C(6)F(5))(3)](4)](2-) which are isolated as stable NHMe(2)Ph(+) and CPh(3)(+) salts. The crystal structures of [CPh(3)][CN[B(C(6)F(5))(3)](2)] (1), [CPh(3)][ClB(C(6)F(5))(3)] (2), [NHMe(2)Ph](2)[Ni[CNB(C(6)F(5))(3)](4)].2Me(2)CO (4b.2Me(2)CO), [CPh(3)](2)[Ni[CNB(C(6)F(5))(3)](4)].2CH(2)Cl(2) (4c.2CH(2)Cl(2)), and [CPh(3)](2)[Pd[CNB(C(6)F(5))(3)](4)].2CH(2)Cl(2) (5c.2CH(2)Cl(2)) are reported. The CN stretching frequencies in 4 and 5 are shifted by approximately 110 cm(-1) to higher wavenumbers compared to the parent tetracyano complexes in aqueous solution, although the M-C and C-N distances show no significant change on B(C(6)F(5))(3) coordination. Zirconocene dimethyl complexes L(2)ZrMe(2) [L(2) = Cp(2), SBI = rac-Me(2)Si(Ind)(2)] react with 1, 4c or 5c in benzene solution at 20 degrees C to give the salts of binuclear methyl-bridged cations, [(L(2)ZrMe)(2)(mu-Me)][CN[B(C(6)F(5))(3)](2)] and [(L(2)ZrMe)(2)(mu-Me)](2)[M[CNB(C(6)F(5))(3)](4)]. The reactivity of these species in solution was studied in comparison with the known [[(SBI)ZrMe](2)(mu-Me)][B(C(6)F(5))(4)]. While the latter reacts with excess [CPh(3)][B(C(6)F(5))(4)] in benzene to give the mononuclear ion pair [(SBI)ZrMe(+).B(C(6)F(5))(4)(-)] in a pseudo-first-order reaction, k = 3 x 10(-4) s(-1), [(L(2)ZrMe)(2)(mu-Me)][CN[B(C(6)F(5))(3)](2)] reacts to give a mixture of L(2)ZrMe(mu-Me)B(C(6)F(5))(3) and L(2)ZrMe(mu-NC)B(C(6)F(5))(3). Recrystallization of [Cp' '(2)Zr(mu-Me)(2)AlMe(2)][CN[B(C(6)F(5))(3)](2)] affords Cp' '(2)ZrMe(mu-NC)B(C(6)F(5))(3) 6, the X-ray structure of which is reported. The stability of [(L(2)ZrMe)(2)(mu-Me)](+)X(-) decreases in the order X = [B(C(6)F(5))(4)] > [M[CNB(C(6)F(5))(3)](4)] > [CN[B(C(6)F(5))(3)](2)] and increases strongly with the steric bulk of L(2) = Cp(2) < SBI. Activation of (SBI)ZrMe(2) by 1 in the presence of AlBu(i)(3) gives extremely active ethene polymerization catalysts. Polymerization studies at 1-7 bar monomer pressure suggest that these, and by implication most other highly active ethene polymerization catalysts, are strongly mass-transport limited. By contrast, monitoring propene polymerization activities with the systems (SBI)ZrMe(2)/1/AlBu(i)(3) and CGCTiMe(2)/1/AlBu(i)(3) at 20 degrees C as a function of catalyst concentration demonstrates that in these cases mass-transport limitation is absent up to [metal] approximately 2 x 10(-5) mol L(-1). Propene polymerization activities decrease in the order [CN[B(C(6)F(5))(3)](2)](-) > [B(C(6)F(5))(4)](-) > [M[CNB(C(6)F(5))(3)](4)](2-) > [MeB(C(6)F(5))(3)](-), with differences in activation barriers relative to [CN[B(C(6)F(5))(3)](2)](-) of DeltaDeltaG = 1.1 (B(C(6)F(5))(4)(-)), 4.1 (Ni[CNB(C(6)F(5))(3)](4)(2-)) and 10.7-12.8 kJ mol(-)(1) (MeB(C(6)F(5))(3)(-)). The data suggest that even in the case of very bulky anions with delocalized negative charge the displacement of the anion by the monomer must be involved in the rate-limiting step. PMID:11456508

  13. Utility of the 2,6-dimethylphenoxide ligand in providing chloride- and oxide-free (Y(OR) sub 3 (solvent) sub a ) sub b complexes with accessible coordination sites

    SciTech Connect

    Brost, R.D.; Stobart, S.R. )

    1989-11-29

    Alkoxide complexes of yttrium have been studied as a route to the preparation of high-purity superconducting oxides such as YBa{sub 2}Cu{sub 3}O{sub 7-x}. Usually the radicals from the alkoxide are so large that an usually small (usually 3) coordination number is observed for the yttrium complex. The 2,6-dimethylphenoxide ligand reported herein was found to be able to provide halide- and oxide-free (Y(OR){sub 3}(solvent){sub a}){sub b} complexes with enough steric flexibility to achieve five- or six-coordination and to form bridged bimetallic species. The preparation and characterization of the complex are described. 21 refs., 2 figs.

  14. 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

  15. Reaction Mechanism for Direct Proton Transfer from Carbonic Acid to a Strong Base in Aqueous Solution II: Solvent Coordinate-Dependent Reaction Path.

    PubMed

    Daschakraborty, Snehasis; Kiefer, Philip M; Miller, Yifat; Motro, Yair; Pines, Dina; Pines, Ehud; Hynes, James T

    2016-03-10

    The protonation of methylamine base CH3NH2 by carbonic acid H2CO3 within a hydrogen (H)-bonded complex in aqueous solution was studied via Car-Parrinello dynamics in the preceding paper (Daschakraborty, S.; Kiefer, P. M.; Miller, Y.; Motro, Y.; Pines, D.; Pines, E.; Hynes, J. T. J. Phys. Chem. B 2016, DOI: 10.1021/acs.jpcb.5b12742 ). Here some important further details of the reaction path are presented, with specific emphasis on the water solvent's role. The overall reaction is barrierless and very rapid, on an ∼100 fs time scale, with the proton transfer (PT) event itself being very sudden (<10 fs). This transfer is preceded by the acid-base H-bond's compression, while the water solvent changes little until the actual PT occurrence; this results from the very strong driving force for the reaction, as indicated by the very favorable acid-protonated base ΔpKa difference. Further solvent rearrangement follows immediately the sudden PT's production of an incipient contact ion pair, stabilizing it by establishment of equilibrium solvation. The solvent water's short time scale ∼120 fs response to the incipient ion pair formation is primarily associated with librational modes and H-bond compression of water molecules around the carboxylate anion and the protonated base. This is consistent with this stabilization involving significant increase in H-bonding of hydration shell waters to the negatively charged carboxylate group oxygens' (especially the former H2CO3 donor oxygen) and the nitrogen of the positively charged protonated base's NH3(+). PMID:26876428

  16. Higher coordinate gold(I) complexes with the weak Lewis base tri(4-fluorophenyl) phosphine. Synthesis, structural, luminescence, and DFT studies

    NASA Astrophysics Data System (ADS)

    Agbeworvi, George; Assefa, Zerihun; Sykora, Richard E.; Taylor, Jared; Crawford, Carlos

    2016-03-01

    The structures and spectroscopic properties of two high coordinate gold(I) phosphine complexes with the TFFPP=tri(4-fluorophenyl)phosphine ligand are reported. Synthesis in a 1:3 metal to ligand ratio provided the compound [AuCl(TFFPP)3] (2) that crystallize in the P 1 bar space group, where the asymmetric unit consists of three independent molecules. In all three sites, two sets of bond angles display distinctly different ranges. The three P-Au-P angles have average values of 117.92°, 117.57°, and 114.78° for sites A, B, and C, with the corresponding P-Au-Cl angles of 98.31°, 99.05°, and 103.38°, respectively. The chloride ion coordinates as the fourth ligand, at the corresponding Au-Cl distance of 2.7337, 2.6825, and 2.6951 Å for the three sites. This distance is longer by 0.40-0.45 Å than the Au-Cl distance found in the mono TFFPP complex 1 (2.285 Å) indicating a weakening of the Au-Cl interaction as the coordination number increases. In compound 3, [Au(TFFPP)3]Cl·½CH2Cl2·H2O, the structure consists of three phosphine ligands bound to the gold(I) atom, but the Cl- exists as uncoordinated counter anion. The structural differences observed in the two complexes are attributable to crystal-packing effects caused by the introduction of H-bonding as well as enhanced intra and inter-molecular π-interaction in 3. The photoluminescence of the complexes compared with that of the ligand show ligand centered emission perturbed by the metal coordination. Theoretical DFT studies conducted on these complexes supports assignments of the electronic transitions observed in these systems.

  17. An interconverting family of coordination cages and a meso-helicate; effects of temperature, concentration, and solvent on the product distribution of a self-assembly process.

    PubMed

    Cullen, William; Hunter, Christopher A; Ward, Michael D

    2015-03-16

    The self-assembly between a water-soluble bis-bidentate ligand L(18w) and Co(II) salts in water affords three high-spin Co(II) products: a dinuclear meso-helicate [Co2(L(18w))3]X4; a tetrahedral cage [Co4(L(18w))6]X8; and a dodecanuclear truncated-tetrahedral cage [Co12(L(18w))18]X24 (X = BF4 or ClO4). All three products were crystallized under different conditions and structurally characterized. In [Co2(L(18w))3]X4 all three bridging ligands span a pair of metal ions; in the two larger products, there is a metal ion at each vertex of the Co4 or Co12 polyhedral cage array with a bridging ligand spanning a pair of metal ions along every edge. All three structural types are known: what is unusual here is the presence of all three from the same reaction. The assemblies Co2, Co4, and Co12 are in slow equilibrium (hours/days) in aqueous solution, and this can be conveniently monitored by (1)H NMR spectroscopy because (i) the paramagnetism of Co(II) disperses the signals over a range of ca. 200 ppm and (ii) the different symmetries of the three species give characteristically different numbers of independent (1)H NMR signals, which makes identification easy. From temperature- and concentration-dependent (1)H NMR studies it is clear that increasing temperature and increasing dilution favors fragmentation to give a larger proportion of the smaller assemblies for entropic reasons. High concentrations and low temperature favor the larger assembly despite the unfavorable entropic and electrostatic factors associated with its formation. We suggest that this arises from the hydrophobic effect: reorganization of several smaller complexes into one larger one results in a smaller proportion of the hydrophobic ligand surface being exposed to water, with a larger proportion of the ligand surface protected in the interior of the assembly. In agreement with this, (1)H NMR spectra in a nonaqueous solvent (MeNO2) show formation of only [Co2(L(18w))3]X4 because the driving force for reorganization into larger assemblies is now absent. Thus, we can identify the contributions of temperature, concentration, and solvent on the result of the metal/ligand self-assembly process and have determined the speciation behavior of the Co2/Co4/Co12 system in aqueous solution. PMID:25700155

  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 (201)?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. Comparative DNA binding abilities and phosphatase-like activities of mono-, di-, and trinuclear Ni(II) complexes: the influence of ligand denticity, metal-metal distance, and coordinating solvent/anion on kinetics studies.

    PubMed

    Bhardwaj, Vimal K; Singh, Ajnesh

    2014-10-01

    Six novel Ni(II) complexes, namely, [Ni2(HL(1))(OAc)2] (1), [Ni3L(1)2]H2O2CH3CN (2), [Ni2(L(2))(L(3))(CH3CN)] (3), [Ni2(L(2))2(H2O)2] (4), [Ni2(L(2))2(DMF)2]22H2O (5), and [Ni(HL(2))2]H2O (6), were synthesized by reacting nitrophenol-based tripodal (H3L(1)) and dipodal (H2L(2)) Schiff base ligands with Ni(II) metal salts at ambient conditions. All the complexes were fully characterized with different spectroscopic techniques such as elemental analyses, IR, UV-vis spectroscopy, and electrospray ionization mass spectrometry. The solid-state structures of 2, 3, 5, and 6 were determined using single-crystal X-ray crystallography. The compounds 1, 3, 4, and 5 are dinuclear complexes where the two Ni(II) centers have octahedral geometry with bridging phenoxo groups. Compound 2 is a trinuclear complex with two different types of Ni(II) centers. In compound 3 one of the Ni(II) centers has a coordinated acetonitrile molecule, whereas in compound 4, a water molecule has occupied one coordination site of each Ni(II) center. In complex 5, the coordinated water of complex 4 was displaced by the dimethylformamide (DMF) during its crystallization. Complex 6 is mononuclear with two amine-bis(phenolate) ligands in scissorlike fashion around the Ni(II) metal center. The single crystals of 1 and 4 could not be obtained; however, from the spectroscopic data and physicochemical properties (electronic and redox properties) it was assumed that the structures of these complexes are quite similar to other analogues. DNA binding abilities and phosphatase-like activities of all characterized complexes were also investigated. The ligand denticity, coordinated anions/solvents (such as acetate, acetonitrile, water, and DMF), and cooperative action of two metal centers play a significant role in the phosphate ester bond cleavage of 2-hydroxypropyl-p-nitropenylphosphate by transesterification mechanism. Complex 3 exhibits highest activity among complexes 1-6 with 3.86 10(5) times greater rate enhancement than uncatalyzed reaction. PMID:25226493

  20. 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.

  1. Solvent alternatives

    SciTech Connect

    Hairston, D.W.

    1997-02-01

    Hardly a day goes by when there is not an announcement of a product developed to replace substances that deplete the ozone or create smog. In real time, the solvents market is being transformed. What was once a commodities business, dominated by a handful of chlorinated and hydrocarbon compounds, is an uncharted niche for hundreds of specialized products. Though the alternatives are diverse--from alcohols to solvent emulsions, making inroads with customers is an uphill battle. Few products match the all-around performance and price of their predecessors, such as 1,1,1-trichloroethane, one of the most versatile and widely used solvents. For aqueous systems especially, the competition is fierce, and could intensify should some old foes make a comeback in solvents. Industry observers point to the US Environmental Protection Agency`s decision to exempt acetone from regulation as a volatile organic compound (VOC). To date, oxygenated solvents, such as alcohols, alcohol esters and alcohol ethers are the biggest beneficiaries of the move away from hazardous solvents, say market analysts at The Freedonia Group, Inc. (Cleveland, Ohio). The oxygenates, which are nonchlorinated and contain low levels of VOCs, work well in water-based coatings.

  2. 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

  3. Solvent-free synthesis of metal complexes.

    PubMed

    Garay, Ana Lazuen; Pichon, Anne; James, Stuart L

    2007-06-01

    Avoiding the use of solvents in synthesis can reduce environmental contamination and even be more convenient than using solvent-based synthesis. In this tutorial review we focus on recent research into the use of mechanochemistry (grinding) to synthesise metal complexes in the absence of solvent. We include synthesis of mononuclear complexes, coordination clusters, spacious coordination cages, and 1-, 2- and 3-dimensional coordination polymers (metal organic frameworks) which can even exhibit microporosity. Remarkably, in many cases, mechanochemical synthesis is actually faster and more convenient than the original solvent-based methods. Examples of solvent-free methods other than grinding are also briefly discussed, and the positive outlook for this growing topic is emphasised. PMID:17534472

  4. Solvent Production

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This article describes production of butanol [acetone-butanol-ethanol, (also called AB or ABE or solvent)] by fermentation using both traditional and current technologies. AB production from agricultural commodities such as corn and molasses was an important historical fermentation. Unfortunately,...

  5. Weak superconductivity

    SciTech Connect

    Benacka, S.; Kedro, M.

    1990-01-01

    This Proceedings consist of invited papers and contributions presented at the Fifth Czechoslovak Symposium on Weak Superconductivity (5CSSWS) held at Smolenice Castle from May 29 to June 2, 1989. This five-days meeting was organized by the Institute of Electrical Engineering, Electro-Physical Research Center, Slovak Academy of Sciences, Bratislava, in cooperation with the Institute of Measurement and Measuring Techniques, EPRC, SAS, Bratislava and the Institute of Physics, CSAS, in Prague. From the beginning the Czechoslovak activities in weak superconductivity were concerned with preparation and study of properties of weak links based on superconducting thin films of Pb, Nb, and Nb{sub 3}Sn, as well as bulk point contacts and rf SQUIDs for magnetometry. The possibility of application of superconducting weak links with tunnel and bridge junctions in measuring techniques, magnetometry, medicine, metrology, radiometry, etc., were studied. Some of these activities are still in progress. These Proceedings include contributions on the properties of tunnel junctions, electrodynamics of SQUIDs, computer simulation of interferometers, multi-channel magnetometry for biomagnetic applications, etc. The discovery of high T{sub c} superconductivity influenced strongly the topics of 5CSSWS. Most contributions of this volume are devoted to the preparation of high T{sub c} superconductor thin films by vacuum deposition techniques because of their dominant role in technology of cryoelectronic microcircuits. Further, results in the study of physical properties of high T{sub c} superconducting thin films by means of both dc and rf methods, tunnel and microcontact spectroscopy, are documented. Other contributions deal with preparation of rf SQUIDs, radiation detectors, etc.

  6. 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.

  7. Weak Interactions

    DOE R&D Accomplishments Database

    Lee, T. D.

    1957-06-01

    Experimental results on the non-conservation of parity and charge conservation in weak interactions are reviewed. The two-component theory of the neutrino is discussed. Lepton reactions are examined under the assumption of the law of conservation of leptons and that the neutrino is described by a two- component theory. From the results of this examination, the universal Fermi interactions are analyzed. Although reactions involving the neutrino can be described, the same is not true of reactions which do not involve the lepton, as the discussion of the decay of K mesons and hyperons shows. The question of the invariance of time reversal is next examined. (J.S.R.)

  8. Influence of solvent and weak C-H...O contacts in the self-assembled [Pt2M4{CC(3-OMe)C6H4}8] (M = Cu, Ag) clusters and their role in the luminescence behavior.

    PubMed

    Gil, Beln; Fornis, Juan; Gmez, Julio; Lalinde, Elena; Martn, Antonio; Moreno, M Teresa

    2006-09-18

    New alkynyl complexes [Pt2M4{CC(3-OMe)C6H4}8] (M = Ag 1, Cu 2) have been synthesized and their structures and properties compared to those of related [Pt2M4(CCPh)8] compounds. For the Pt-Ag derivatives, the X-ray structures of the discrete yellow solvate monomer, [Pt2Ag4{CC(3-OMe)C6H4}8].2THF ([1.2THF]), and the dark garnet unsolvated polymeric form, [Pt2Ag4{CC(3-OMe)C6H4}8](infinity) ([1](infinity)), are presented. The yellow form ([1.2THF]) exhibits a distorted octahedral geometry of the metal centers with the platinum atoms mutually trans and the four silver atoms in the equatorial plane. Pairs of Ag atoms are weakly bridged by THF molecules [mu-Ag2...O(THF)]. The garnet form ([1](infinity)) has an unprecedented infinite stacked chain of octahedral clusters linked by short Pt...Pt bonds (3.1458(8) A). In both forms, different types of weak C-H...O (OMe) hydrogen bonds are observed. For comparative purposes, we have also provided the crystal structures of the yellow monomer form, [Pt2Ag4-(CCPh)8].CHCl3, and the red dimer form, [Pt2Ag4(CCPh)8]2 (Pt-Pt 3.221(2) A). These clusters display intense photoluminescence in both solution and the solid state, at room temperature and 77 K. The emission observed for the yellow form [1.2THF] in the solid state is assigned to a 3MLM'CT [Pt(d)/pi(CCR) --> Pt(p(z))/Ag(sp)/pi(CCR)] state modified by Pt...Ag, Ag...Ag, and Ag...(THF) contacts. However, in the garnet form [1](infinity) and in 2, the emissions are related to the axial Pt-Pt bonds and are assigned as phosphorescence from a metal-metal-to-ligand charge-transfer (3MMLCT) excited state ([1](infinity)), or an admixture of a metal-metal (Pt-Pt) centered 3(dsigmap(z)sigma) and 3MMLCT excited state (2). For 1, a remarkable quenching and a shift to higher energies in the emission is observed on changing from CH2Cl2 to THF, and for both 1 and 2, the emission spectra at 77 K varies with the concentration, showing their tendency to stack even in glass. PMID:16961370

  9. Solvent effect on the optical property of uranyl acetylacetonate monohydrate

    NASA Astrophysics Data System (ADS)

    Pradhan, Mukul; Basu, Mrinmoyee; Sarkar, Sougata; Sinha, Arun Kumar; Pal, Tarasankar

    2011-01-01

    The lability of the [UO 2(acac) 2H 2O] complex has been exploited to decipher solvent composition of a medium. Successive blue shift of the ?-?* band ( ?max = 282 nm) is observed due to alcohol substitution of increasing chain length in place of water. This observation helps to quantify the chain lengths of normal alcohol. The result has been accounted theoretically. However, in non-coordinating solvent, irregular red shift of the ?-?* band is observed because of the molecular complexity. Again, charge transfer (CT) band at 211 nm has been identified employing polar-polar and polar coordinating-non-coordinating solvent systems.

  10. Solvent effect on the optical property of uranyl acetylacetonate monohydrate.

    PubMed

    Pradhan, Mukul; Basu, Mrinmoyee; Sarkar, Sougata; Sinha, Arun Kumar; Pal, Tarasankar

    2011-01-01

    The lability of the [UO2(acac)2H2O] complex has been exploited to decipher solvent composition of a medium. Successive blue shift of the ?-?* band (?max=282 nm) is observed due to alcohol substitution of increasing chain length in place of water. This observation helps to quantify the chain lengths of normal alcohol. The result has been accounted theoretically. However, in non-coordinating solvent, irregular red shift of the ?-?* band is observed because of the molecular complexity. Again, charge transfer (CT) band at 211 nm has been identified employing polar-polar and polar coordinating-non-coordinating solvent systems. PMID:21030297

  11. The role of solvent and the outer coordination sphere on H2 oxidation using [Ni(PCy2NPyz2)2]2+

    SciTech Connect

    Dutta, Arnab; Lense, Sheri J.; Roberts, John A.; Helm, Monte L.; Shaw, Wendy J.

    2015-05-01

    Hydrogenase enzymes are reversible catalysts for H2 production/oxidation, operating with fast rates and minimal overpotentials in water. Many synthetic catalyst mimics of hydrogenase operate in organic solvents. However, recent work has demonstrated the importance of water in the performance of some model complexes. In this work, the H2oxidation activity of [Ni(PCy2N(3pyridazyl)methyl2)2]2+ (CyPyz) was compared as a function of acetonitrile, methanol, and water. The reactivity was compared under neutral and acidic conditions in all three solvents and improvement in catalytic activity, from 2 to 40 s-1, was observed with increasing hydrogen bonding ability of the solvent. In addition, the overpotential for catalysis drops significantly in the presence of acid in all solvents, from as high as 600 mV to as low as 70 mV, primarily due to the shift in the equilibrium potential under these conditions. Finally, H2 production was also observed in the same solution, demonstrating bidirectional (irreversible) homogeneous H2 production/oxidation. A structurally and electronically similar complex with a benzyl instead of a pyridazyl group was not stable under these conditions, limiting the evaluation of the contributions of the outer coordination sphere. Collectively, we show that by tuning conditions we can promote fast, efficient H2 oxidation and bidirectional catalysis.

  12. Solvent wash solution

    DOEpatents

    Neace, J.C.

    1984-03-13

    A process is claimed 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 vol % 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.

  13. 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.

  14. Resonance Raman and infrared studies on axial coordination to chlorophylls a and b in vitro

    SciTech Connect

    Fujiwara, M.; Tasumi, M.

    1986-01-16

    The resonance Raman and infrared spectra of chlorophyll a were observed in various solvents. The Raman spectra in the 1620-1510-cm/sup -1/ region were classified into two groups, depending on the solvent used. Three Raman bands at 1612-1606 (weak), 1554-1551 (strong), and 1529-1527 (medium) cm/sup -1/ (group I) observed in n-hexane, CCl/sub 4/, CS/sub 2/, diethyl ether, acetone, ethyl acetate, and ethanol solutions shift, respectively, to 1599-1596, 1548-1545, and 1521-1518 cm/sup -1/ (group II) in tetrahydrofuran, dioxane, pyridine, and methanol solutions. In the solutions giving rise to the spectrum of group I the Mg atom of chlorophyll a is mostly five-coordinated (with one axial ligand), whereas the six-coordinated species (with two axial ligands) is the major fraction in the solutions giving rise to the spectrum of group II. The Raman and infrared spectra of chlorophyll b show that chlorophyll b behaves in the same manner as chlorophyll a with respect to the axial coordination by solvent molecules. 22 references, 7 figures.

  15. Mapping brains without coordinates

    PubMed Central

    Ktter, Rolf; Wanke, Egon

    2005-01-01

    Brain mapping has evolved considerably over the last century. While most emphasis has been placed on coordinate-based spatial atlases, coordinate-independent parcellation-based mapping is an important technique for accessing the multitude of structural and functional data that have been reported from invasive experiments, and provides for flexible and efficient representations of information. Here, we provide an introduction to motivations, concepts, techniques and implications of coordinate-independent mapping of microstructurally or functionally defined brain structures. In particular, we explain the problems of constructing mapping paths and finding adequate heuristics for their evaluation. We then introduce the three auxiliary concepts of acronym-based mapping (AM), of a generalized hierarchy (GM ontology), and of a topographically oriented regional map (RM) with adequate granularity for mapping between individual brains with different cortical folding and between humans and non-human primates. Examples from the CoCoMac database of primate brain connectivity demonstrate how these concepts enhance coordinate-independent mapping based on published relational statements. Finally, we discuss the strengths and weaknesses of spatial coordinate-based versus coordinate-independent microstructural brain mapping and show perspectives for a wider application of parcellation-based approaches in the integration of multi-modal structural, functional and clinical data. PMID:15971361

  16. Weak Energy: Form and Function

    NASA Astrophysics Data System (ADS)

    Parks, Allen D.

    The equation of motion for a time-dependent weak value of a quantum mechanical observable contains a complex valued energy factorthe weak energy of evolution. This quantity is defined by the dynamics of the pre-selected and post-selected states which specify the observable's weak value. It is shown that this energy: (i) is manifested as dynamical and geometric phases that govern the evolution of the weak value during the measurement process; (ii) satisfies the Euler-Lagrange equations when expressed in terms of Pancharatnam (P) phase and Fubini-Study (FS) metric distance; (iii) provides for a PFS stationary action principle for quantum state evolution; (iv) time translates correlation amplitudes; (v) generalizes the temporal persistence of state normalization; and (vi) obeys a time-energy uncertainty relation. A similar complex valued quantitythe pointed weak energy of an evolving quantum stateis also defined and several of its properties in PFS coordinates are discussed. It is shown that the imaginary part of the pointed weak energy governs the state's survival probability and its real part isto within a signthe Mukunda-Simon geometric phase for arbitrary evolutions or the Aharonov-Anandan (AA) geometric phase for cyclic evolutions. Pointed weak energy gauge transformations and the PFS 1-form are defined and discussed and the relationship between the PFS 1-form and the AA connection 1-form is established. [Editors note: for a video of the talk given by Prof. Parks at the Aharonov-80 conference in 2012 at Chapman University, see http://quantum.chapman.edu/talk-25.

  17. 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 (χM) in the temperature range from 2 to 300 K. Resolvation of 2 by ethanol or water resulted in restoration of spectral characteristics and χM values almost to the level of that of 1. χMT 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

  18. 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.

  19. Solvents and sustainable chemistry

    PubMed Central

    Welton, Tom

    2015-01-01

    Solvents are widely recognized to be of great environmental concern. The reduction of their use is one of the most important aims of green chemistry. In addition to this, the appropriate selection of solvent for a process can greatly improve the sustainability of a chemical production process. There has also been extensive research into the application of so-called green solvents, such as ionic liquids and supercritical fluids. However, most examples of solvent technologies that give improved sustainability come from the application of well-established solvents. It is also apparent that the successful implementation of environmentally sustainable processes must be accompanied by improvements in commercial performance. PMID:26730217

  20. Structural and dynamical properties of Li+-dibenzo-18-crown-6(DB18C6) complex in pure solvents and at the aqueous-organic interface.

    PubMed

    Sahu, Pooja; Ali, Sk M; Singh, Jayant K

    2014-09-01

    Microstructure of dibenzo-18-crown-6 (DB18C6) and DB18C6/Li(+) complex in different solvents (water, methanol, chloroform, and nitrobenzene) have been analyzed using radial distribution function (RDF), coordination number (CN), and orientation profiles, in order to identify the role of solvents on complexation of DB18C6 with Li(+), using molecular dynamics (MD) simulations. In contrast to aqueous solution of LiCl, no clear solvation pattern is found around Li(+) in the presence of DB18C6. The effect of DB18C6 has been visualized in terms of reduction in peak height and shift in peak positions of g(Li-Ow). The appearance of damped oscillations in velocity autocorrelation function (VACF) of complexed Li(+) described the high frequency motion to a "rattling" of the ion in the cage of DB18C6. The solvent-complex interaction is found to be higher for water and methanol due to hydrogen bond (HB) interactions with DB18C6. However, the stability of DB18C6/Li(+) complex is found to be almost similar for each solvent due to weak complex-solvent interactions. Further, Li(+) complex of DB18C6 at the liquid/liquid interface of two immiscible solvents confirm the high interfacial activity of DB18C6 and DB18C6/Li(+) complex. The complexed Li(+) shows higher affinity for water than organic solvents; still they remain at the interface rather than migrating toward water due to higher surface tension of water as compared to organic solvents. These simulation results shed light on the role of counter-ions and spatial orientation of species in pure and hybrid solvents in the complexation of DB18C6 with Li(+). PMID:25129659

  1. Solvents: Know your options

    SciTech Connect

    Higgins, T. ); Thom, J. ); Jacobs, M. )

    1994-03-01

    The use of solvents, integral to many CPI operations, is changing. Industry and regulatory players are rethinking solvent processes, compounds and equipment. In the past, hydrocarbons were used as cleaning agents. These were replaced by chlorofluorocarbons (CFCs) and chlorinated solvents, which are nonflammable, have high solvency and are compatible with most substrate materials. Unfortunately, these replacements have a high ozone-depletion potential (ODP) and are health hazards. The costs of using these solvents have grown significantly because of increasingly strict management requirements. These include engineering to minimize solvent release, regulatory reporting requirements, worker-training requirements, secondary containment, and disposal restrictions. Most use of CFCs and some chlorinated hydrocarbons has been curtailed strongly. However, there are many ways to further reduce the dependency on these compounds. These are discussed here. They include retrofitting a process instead of changing it, reusing waste solvents, using replacement solvents, and making a process solventless.

  2. Weak scale supersymmetry

    SciTech Connect

    Hall, L.J. California Univ., Berkeley, CA . Dept. of Physics)

    1990-11-12

    An introduction to the ideas and current state of weak scale supersymmetry is given. It is shown that LEP data on Z decays has already excluded two of the most elegant models of weak scale supersymmetry. 14 refs.

  3. State Coordination of Higher Education: The Modern Concept.

    ERIC Educational Resources Information Center

    Glenny, Lyman A.

    Coordination of higher education as practiced in three similar organizational forms is assessed: the statewide governing board, the regulatory coordinating board, and the advisory board. Attention is directed to why coordination is important, criticism of coordination, kinds of organizations used, the accomplishments and weaknesses of the…

  4. 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

  5. Weak-scintillation light yield determination

    SciTech Connect

    Mandzhukov, I.G.; Mandzhukova, B.V.

    1987-12-01

    The pulse-height distribution produced by weak scintillations is simulated as a Poisson distribution if the mean number of photoelectrons collected at the first dynode is of the order of one. This method enables one to determine the scintillation yield also when the photomultiplier does not show a peak in the single-electron pulses. Scintillation yields have been determined for some aqueous solutions of sodium salicylate and for aromatic solvents (benzene, toluene, and xylene) on internal irradiation by ..cap alpha.. particles.

  6. Chemical reaction rates and solvent friction

    SciTech Connect

    Hynes, J.T.

    1986-01-01

    The role of the dynamic solvent friction in influencing the rates of chemical reactions in solution is described. Features considered include (a) the bias of the reaction coordinate toward a direction of lesser friction in the diffusive limit, (b) the importance of frequency-dependent friction in atom transfers, tunneling reactions and isomerizations, (c) the dynamic nonequilibrium solvation in charge transfers which leads to a polar solvent molecule reorientation time dependence for the rate, and (d) the importance of internal degrees of freedom in the location of the Kramers turnover for isomerizations.

  7. A naphthalimide-based fluorescent sensor for halogenated solvents.

    PubMed

    Dai, Li; Wu, Di; Qiao, Qinglong; Yin, Wenting; Yin, Jun; Xu, Zhaochao

    2016-01-26

    A fluorescent sensor for halogenated solvents termed is reported. shows strong fluorescence in most halogenated solvents (QE > 0.1) but weak fluorescence (QE<0.01) in most non-halogenated solvents. In chlorinated solvents, the fluorescence intensity decreased with the reduction of chlorine content. On the contrary, in brominated solvents the fluorescence intensity increased with the reduction of bromine content. It is worth mentioning that displayed fluorescence emission centered at 520 nm in CCl4 with a quantum yield of 0.607, at 556 nm in CHCl3 with a quantum yield of 0.318, at 584 nm in CH2Cl2 with a quantum yield of 0.128, whereas in CHBr3 was centered at 441 nm with a quantum yield of 0.012. was shown to have the ability to differentiate CCl4, CHCl3, CH2Cl2 and CHBr3 halogenated solvents. PMID:26691881

  8. 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...

  9. Recovery of deasphalting solvent

    SciTech Connect

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

    1983-12-20

    The invention is an energy-efficient improvement in a continuous deasphalting process in which a mixture of viscous hydrocarbon oils with resins and/or asphaltenes is contacted with a quantity of pure or mixed hydrocarbon solvents including, but not limited to, propane, butane, pentane, hexane, heptane, isomers thereof, and unsaturated hydrocarbons of similar molecular weights, in order to separate a primary extract phase comprising high viscosity oil, resins and/or asphaltenes, and solvent. The primary raffinate phase is further contacted with an additional quantity of solvent comprising similar components to those in the primary solvent (but not necessarily identical thereto) to separate a secondary extract phase comprising high viscosity oil and solvent, and a secondary raffinate phase comprising resins and/or asphaltenes and solvent. The contacting step may be repeated as often as desired to make additional extract phases which are recovered separately. The solvents from the extract and raffinate phases are separated from the associated viscous oils, resins and/or asphaltenes, and reused in the contacting process. Several embodiments of the invention are disclosed. In each embodiment, the primary and secondary recovery systems are integrated so that heat recovered from the primary solvent is used to operate the secondary recovery system.

  10. Solvent-free synthesis

    EPA Science Inventory

    This chapter gives a brief introduction about solvent-free reactions whose importance can be gauged by the increasing number of publications every year during the last decade. The mechanistic aspects of the reactions under solvent-free conditions have been highlighted. Our observ...

  11. Alternative Green Solvents Project

    NASA Technical Reports Server (NTRS)

    Maloney, Phillip R.

    2012-01-01

    Necessary for safe and proper functioning of equipment. Mainly halogenated solvents. Tetrachloride, Trichloroethylene (TCE), CFC-113. No longer used due to regulatory/safety concerns. Precision Cleaning at KSC: Small % of total parts. Used for liquid oxygen (LOX) systems. Dual solvent process. Vertrel MCA (decafluoropentane (DFP) and trons-dichloroethylene) HFE-7100. DFP has long term environmental concerns. Project Goals: a) Identify potential replacements. b) 22 wet chemical processes. c) 3 alternative processes. d) Develop test procedures. e) Contamination and cleaning. f) Analysis. g) Use results to recommend alternative processes. Conclusions: a) No alternative matched Vertrel in this study. b) No clear second place solvent. c) Hydrocarbons- easy; Fluorinated greases- difficult. d) Fluorinated component may be needed in replacement solvent. e) Process may need to make up for shortcoming of the solvent. f) Plasma and SCC02 warrant further testing.

  12. Reaction coordinate in electron transfer: What physical quantity should we use for it?

    SciTech Connect

    Tachiya, M.

    2008-08-14

    In the Marcus theory of electron transfer the reaction coordinate due to solvent motion plays a central role. In 1991,Zhu and Rasaiah [J. Chem. Phys.95, 3325 (1991)] tried to define the reaction coordinate in terms of the solvent orientational polarization function. However, their definition is not consistent with the associated free energy curves as functions of the reaction coordinate. The appropriate definition of the reaction coordinate and the associated free energy curves are presented.

  13. Molecular tectonics: anion control of dimensionality and connectivity in meta-pyridyl appended tetramercaptotetrathiacalix[4]arene based silver coordination networks.

    PubMed

    Ovsyannikov, A; Ferlay, S; Solovieva, S E; Antipin, I S; Konovalov, A I; Kyritsakas, N; Hosseini, M W

    2014-01-01

    The combination of the same organic tecton 1, a meta-pyridyl appended tetramercaptotetrathiacalix[4]arene in 1,3-alternate conformation offering four pyridyl units and eight thioether groups, with three silver salts AgX (X = BF4(-), NO3(-) and SbF6(-)) leads, under identical conditions (concentration, temperature and solvent system), to the formation of different silver coordination networks. Both the connectivity and the dimensionality of the three silver coordination networks depend on the nature of the anion used as a counter ion. Whereas the weakly coordinating BF4(-) anion does not participate in the formation of the non-tubular 1D coordination network, the coordinating NO3(-) anion is bound to the metal cation and this leads to the formation of a tubular 1D silver coordination network. In both cases, the eight S atoms of the tecton 1 do not take part in the binding of the cation. In marked contrast, when the SbF6(-) anion is used as a counter ion, the organic tecton 1 behaves as a tetrakismonodentate through its four meta-pyridyl moieties and as a bischelating unit of the SCCS type leading thus to the formation of a porous 3D diamondoid-type network. PMID:24132039

  14. Weak Gravitational Field and Casimir Energy

    NASA Astrophysics Data System (ADS)

    Tanhayi, M. R.; Pirmoradian, R.

    2016-02-01

    In this paper we consider the effect of a weak gravitation field on the Casimir energy. Under a weak perturbation of a metric, we first obtain the linear energy-momentum tensor of a scalar field in a generic background and then the corrected energy of a scalar filed which satisfies the Dirichlet boundary condition is calculated up to first order of the metric perturbation. We show that our results coincide to the previous related works e.g., the Casimir effect when studied in Fermi coordinates.

  15. Conformational transitions of a weak polyampholyte

    NASA Astrophysics Data System (ADS)

    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.

  16. Weak measure expansive flows

    NASA Astrophysics Data System (ADS)

    Lee, Keonhee; Oh, Jumi

    2016-01-01

    A notion of measure expansivity for flows was introduced by Carrasco-Olivera and Morales in [3] as a generalization of expansivity, and they proved that there were no measure expansive flows on closed surfaces. In this paper we introduce a concept of weak measure expansivity for flows which is really weaker than that of measure expansivity, and show that there is a weak measure expansive flow on a closed surface. Moreover we show that any C1 stably weak measure expansive flow on a C? closed manifold M is ?-stable, and any C1 stably measure expansive flow on M satisfies both Axiom A and the quasi-transversality condition.

  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. SOLVENT WASTE REDUCTION ALTERNATIVES

    EPA Science Inventory

    This publication contains edited versions of presentations on this subject made at five Technology Transfer seminars in 1988. Chapters are included on land disposal regulations and requirements; waste solvent disposal alternatives from various industries such as process equipment...

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

    DOEpatents

    Nerad, Bruce A.; Krantz, William B.

    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.

  1. History of Weak Interactions

    DOE R&D Accomplishments Database

    Lee, T. D.

    1970-07-01

    While the phenomenon of beta-decay was discovered near the end of the last century, the notion that the weak interaction forms a separate field of physical forces evolved rather gradually. This became clear only after the experimental discoveries of other weak reactions such as muon-decay, muon-capture, etc., and the theoretical observation that all these reactions can be described by approximately the same coupling constant, thus giving rise to the notion of a universal weak interaction. Only then did one slowly recognize that the weak interaction force forms an independent field, perhaps on the same footing as the gravitational force, the electromagnetic force, and the strong nuclear and sub-nuclear forces.

  2. LLNL solvent substitution

    SciTech Connect

    Benkovitch, M.G.

    1992-12-01

    Allied-Signal Inc., Kansas City Division (KCD), manufactures the electrical, electromechanical, mechanical, and plastic components for nuclear weapons. The KCD has made a commitment to eliminate the use of chlorohydrocarbon (CHC) and chlorofluorocarbon (CFC) solvents to the greatest technical extent possible consistent with nuclear safety and stockpile reliability requirements by July 1993. Several non-halogenated solvents (Exxate 1000, Bioact EC-7, Bioact EC-7R, d-limonene, ACT-100, Kester 5769, and isopropyl alcohol) were evaluated to determine the most effective, non-chlorinated non-fluorinated, alternate solvent cleaning system for a particular electronic assembly in lieu of the current trichloroethylenefisopropyl alcohol baseline cleaning process. All of these solvents were evaluated using current manual spray cleaning processes. The solvents were evaluated for their effectiveness in removing a rosin based RMA solder flux, a particular silicone mold release, and a wide variety of general contaminants (oils, greases, mold releases, resins, etc.) normally found in production departments. A DI water/isopropyl alcohol spray cleaning process was also evaluated for removing two organic acid fluxes. Test samples were contaminated, spray cleaned with the appropriate solvent, and then analyzed for cleanliness. The Meseran Surface Analyzer was used to measure,, organic contamination on the samples before and after cleaning. An Omega Meter Model 600 was also used to detect solder flux residues.

  3. Neurotoxicity of solvents.

    PubMed

    Sainio, Markku Alarik

    2015-01-01

    Worldwide, several hundred million tons of organic solvents are used annually in household, industry, and other occupational settings. Millions of workers are regularly exposed to organic solvents considered neurotoxic. Acute neurotoxicity due to high exposure of solvent is usually evident, but the nature of long-term effects, such as chronic solvent encephalopathy (CSE), has raised uncertainty even among experts. Earlier studies were criticized for their methodology, mainly epidemiologic studies or investigations of exposed groups with many possible confounders and inadequate exposure assessment. However, an increasing number of studies have been performed since, also on workers with defined CSE based on differential diagnostics. During the last decade, evidence has emerged to enable identification of CSE, a necessity for the early recognition and prevention of progression of dysfunction and disability. Selected chemicals are presented here due to their widespread use, neurotoxic potential, and ability to cause solvent encephalopathy. Constant introduction of new chemicals may introduce new hazardous chemicals or known chemicals may reveal new health effects. It is important to keep an open mind for new findings of solvent-related neurobehavioral effects. PMID:26563785

  4. Cleaning without chlorinated solvents

    NASA Technical Reports Server (NTRS)

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

    1995-01-01

    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 percent. 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.

  5. 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.

  6. Partial Coordination Numbers in Binary Metallic Glasses

    NASA Astrophysics Data System (ADS)

    Miracle, Daniel B.; Laws, Kevin; Senkov, Oleg N.; Wilks, Garth B.

    2012-08-01

    A critical analysis of measured partial coordination numbers for binary metallic glasses as a function of composition shows a large scatter of 1.5 but clear trends. The current work uses two topological models to predict the influence of relative atomic size and concentration on partial coordination numbers. The equations for partial coordination numbers derived from these two models can reproduce measured data within experimental scatter, suggesting that chemical effects on local structure, although present, may be relatively small. Insights gained from these models show that structural site-filling rules are different for glasses with solute atoms that are smaller than solvent atoms and for glasses where solute atoms are larger than solvent atoms. Specifically, solutes may occupy both ? and ? intercluster sites when the solute-to-solvent radius ratio R is less than 1.26, but only ? sites can be occupied by solutes when R > 1.26. This distinction gives a simple topological explanation for the observed preference for binary metallic glasses with solutes smaller than solvent atoms. In addition to structure-specific equations, simplified phenomenological equations for partial coordination numbers are given as a convenience.

  7. Dendritic brushes under theta and poor solvent conditions

    NASA Astrophysics Data System (ADS)

    Gergidis, Leonidas N.; Kalogirou, Andreas; Charalambopoulos, Antonios; Vlahos, Costas

    2013-07-01

    The effects of solvent quality on the internal stratification of polymer brushes formed by dendron polymers up to third generation were studied by means of molecular dynamics simulations with Langevin thermostat. The distributions of polymer units, of the free ends, the radii of gyration, and the back folding probabilities of the dendritic spacers were studied at the macroscopic states of theta and poor solvent. For high grafting densities we observed a small decrease in the height of the brush as the solvent quality decreases. The internal stratification in theta solvent was similar to the one we found in good solvent, with two and in some cases three kinds of populations containing short dendrons with weakly extended spacers, intermediate-height dendrons, and tall dendrons with highly stretched spacers. The differences increase as the grafting density decreases and single dendron populations were evident in theta and poor solvent. In poor solvent at low grafting densities, solvent micelles, polymeric pinned lamellae, spherical and single chain collapsed micelles were observed. The scaling dependence of the height of the dendritic brush at high density brushes for both solvents was found to be in agreement with existing analytical results.

  8. How Do Teachers Coordinate Their Work? A Framing Approach

    ERIC Educational Resources Information Center

    Dumay, Xavier

    2014-01-01

    Since the 1970s, schools have been characterized as loosely coupled systems, meaning that the teachers' work is weakly coordinated at the local level. Nonetheless, few studies have focused on the local variations of coordination modes, their sources and their nature. In this article, the process of local coordination of the teachers'…

  9. Weak bump quasars

    NASA Technical Reports Server (NTRS)

    Wilkes, B. J.; Mcdowell, J.

    1994-01-01

    Research into the optical, ultraviolet and infrared continuum emission from quasars and their host galaxies was carried out. The main results were the discovery of quasars with unusually weak infrared emission and the construction of a quantitative estimate of the dispersion in quasar continuum properties. One of the major uncertainties in the measurement of quasar continuum strength is the contribution to the continuum of the quasar host galaxy as a function of wavelength. Continuum templates were constructed for different types of host galaxy and individual estimates made of the decomposed quasar and host continua based on existing observations of the target quasars. The results are that host galaxy contamination is worse than previously suspected, and some apparent weak bump quasars are really normal quasars with strong host galaxies. However, the existence of true weak bump quasars such as PHL 909 was confirmed. The study of the link between the bump strength and other wavebands was continued by comparing with IRAS data. There is evidence that excess far infrared radiation is correlated with weaker ultraviolet bumps. This argues against an orientation effect and implies a probable link with the host galaxy environment, for instance the presence of a luminous starburst. However, the evidence still favors the idea that reddening is not important in those objects with ultraviolet weak bumps. The same work has led to the discovery of a class of infrared weak quasars. Pushing another part of the envelope of quasar continuum parameter space, the IR-weak quasars have implications for understanding the effects of reddening internal to the quasars, the reality of ultraviolet turnovers, and may allow further tests of the Phinney dust model for the IR continuum. They will also be important objects for studying the claimed IR to x-ray continuum correlation.

  10. 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.

  11. 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.

  12. Halogenated solvent remediation

    DOEpatents

    Sorenson, Jr., Kent S.

    2008-11-11

    Methods for enhancing bioremediation of ground water contaminated with nonaqueous halogenated solvents are disclosed. An illustrative method includes adding an electron donor for microbe-mediated anaerobic reductive dehalogenation of the halogenated solvents, which electron donor enhances mass transfer of the halogenated solvents from residual source areas into the aqueous phase of the ground water. Illustrative electron donors include 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, of which lactic acid, salts of lactic acid--such as sodium lactate, lactate esters, and mixtures thereof are particularly illustrative. The microbes are either indigenous to the ground water, or such microbes can be added to the ground water in addition to the electron donor.

  13. Safe battery solvents

    DOEpatents

    Harrup, Mason K.; Delmastro, Joseph R.; Stewart, Frederick F.; Luther, Thomas A.

    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.

  14. Unusual metal coordination chemistry from an amino-amide derivative of 4-nitrophenol, a surprising ligand.

    PubMed

    McGinley, John; McKee, Vickie; Toftlund, Hans; Walsh, John M D

    2009-10-21

    The simple ligand N-(2-aminoethyl)-2-hydroxy-5-nitrobenzamide () exhibits several coordination modes depending on the reaction conditions, acting as a zwitterion on its own or being ionic in the presence of acid and depending on the concentration of metal present in a reaction, it can coordinate to the metal in either a 1:1 or a 1:2 metal:ligand mode. Furthermore, the role of solvent plays an important role in these complexation reactions with both four and six coordinate copper complexes being obtained using water as solvent but only six coordinate copper complexes obtained using acetonitrile as solvent. PMID:19789795

  15. 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.

  16. Weak Lensing with LSST

    NASA Astrophysics Data System (ADS)

    Wittman, David M.; Jain, B.; Jarvis, M.; Knox, L.; Margoniner, V.; Takada, M.; Tyson, J.; Zhan, H.; LSST Weak Lensing Science Collaboration

    2006-12-01

    Constraining dark energy parameters with weak lensing is one of the primary science goals of the LSST. The LSST Weak Lensing Science Collaboration has been formed with the goal of optimizing the weak lensing science by optimizing the survey cadence; working with Data Management to insure high-quality pipeline processing which will meet our needs; developing the necessary analysis tools well before the onset of data-taking; participating in high-fidelity simulations to test the system end-to-end; and analyzing the real dataset as it becomes available. We review the major weak lensing probes, the twoand three-point shear correlations, and how they constrain dark energy parameters. We also review the possibility of going beyond dark energy models and testing gravity with the LSST data. To realize the promise of the awesome LSST statistical precision, we must ensure that systematic errors are kept under control. We review the major sources of systematics and our plans for mitigation. We present data that demonstrate that these sources of systematics can be kept to a level smaller than the statistical error.

  17. Solvent extraction processes compared

    SciTech Connect

    Kogut, K.E.

    1994-04-01

    Solvent ectraction processes are often difficult to compare. Waste processors need to understand how the process works in order to make a good choice for waste stream applications. The technologies used by Carver-Greenfield Process, B.E.S.T., and NuKEM`s method are described.

  18. 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. The technologies were (1) atmospheric batch distillation, (2) vacuum heat-pump distillation, and (3) low-emission vapor degreas...

  19. SOLVENT EXTRACTION TREATMENT

    EPA Science Inventory

    Solvent extraction does not destroy wastes, but is a means of separating hazardous contaminants from soils, sludges, and sediments, thereby reducing the volume of the hazardous waste that must be treated. enerally it is used as one ina series of unit operations, and can reduce th...

  20. ENGINEERING BULLETIN: SOLVENT EXTRACTION

    EPA Science Inventory

    Solvent extraction does not destroy hazardous contaminants, but is a means of separating those contaminants from soils, sludges, and sediments, thereby reducing the volume of the hazardous material that must be treated. enerally it is used as one in a series of unit operations an...

  1. DESIGNING GREENER SOLVENTS

    EPA Science Inventory

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

  2. Organic solvent topical report

    SciTech Connect

    COWLEY, W.L.

    1999-05-13

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

  3. Organic solvent topical report

    SciTech Connect

    Cowley, W.L.

    1998-04-30

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

  4. Weak Finsler structures and the Funk weak metric

    NASA Astrophysics Data System (ADS)

    Papadopoulos, Athanase; Troyanov, Marc

    2009-04-01

    We discuss general notions of metrics and of Finsler structures which we call weak metrics and weak Finsler structures. Any convex domain carries a canonical weak Finsler structure, which we call its tautological weak Finsler structure. We compute distances in the tautological weak Finsler structure of a domain and we show that these are given by the so-called Funk weak metric. We conclude the paper with a discussion of geodesics, of metric balls and of convexity properties of the Funk weak metric.

  5. Hysteresis in weak ferromagnets

    NASA Astrophysics Data System (ADS)

    Bazaliy, Ya. B.; Tsymbal, L. T.; Kakazei, G. N.; Vasiliev, S. V.

    2011-03-01

    Magnetic hysteresis is studied in the orthoferrites ErFeO3 and TmFeO3 using the single crystal samples of millimeter dimensions. It is shown that in both materials one observes a temperature transition manifesting itself through the temperature hysteresis of the magnetic moment and a peculiar temperature evolution of the field hysteresis loop shapes near this transition. Experiments rule out the hypothesis that the ordering of the orthoferrite's rare earth magnetic moments plays an important role in these phenomena. The hysteresis curves can be explained by a few-domain magnetic state of the samples that results from the weak ferromagnetism of the orthoferrites. The phenomenon is generic for weak ferromagnets with temperature dependent magnetization. A large characteristic magnetic length makes the behavior of the relatively big samples analogous to that observed in the nano-size samples of strong ferromagnets. Supported by NSF DMR-0847159, Ukrainian DFFD F28/456-2009, Portuguese FCT ``Ciencia 2007''.

  6. Composite weak bosons

    SciTech Connect

    Suzuki, M.

    1988-04-01

    Dynamical mechanism of composite W and Z is studied in a 1/N field theory model with four-fermion interactions in which global weak SU(2) symmetry is broken explicitly by electromagnetic interaction. Issues involved in such a model are discussed in detail. Deviation from gauge coupling due to compositeness and higher order loop corrections are examined to show that this class of models are consistent not only theoretically but also experimentally.

  7. 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...

  8. Gravitational anomaly and Hawking radiation near a weakly isolated horizon

    SciTech Connect

    Wu Xiaoning; Huang Chaoguang; Sun Jiarui

    2008-06-15

    Based on the idea of the work by Wilczek and his collaborators, we consider the gravitational anomaly near a weakly isolated horizon. We find that there exists a universal choice of tortoise coordinate for any weakly isolated horizon. Under this coordinate, the leading behavior of a quite arbitrary scalar field near a horizon is a 2-dimensional chiral scalar field. This means we can extend the idea of Wilczek and his collaborators to more general cases and show the relation between gravitational anomaly and Hawking radiation is a universal property of a black hole horizon.

  9. Gravitational anomaly and Hawking radiation near a weakly isolated horizon

    NASA Astrophysics Data System (ADS)

    Wu, Xiaoning; Huang, Chao-Guang; Sun, Jia-Rui

    2008-06-01

    Based on the idea of the work by Wilczek and his collaborators, we consider the gravitational anomaly near a weakly isolated horizon. We find that there exists a universal choice of tortoise coordinate for any weakly isolated horizon. Under this coordinate, the leading behavior of a quite arbitrary scalar field near a horizon is a 2-dimensional chiral scalar field. This means we can extend the idea of Wilczek and his collaborators to more general cases and show the relation between gravitational anomaly and Hawking radiation is a universal property of a black hole horizon.

  10. Solvent substitution for electronic products

    SciTech Connect

    Benkovich, M.K.

    1992-01-01

    Allied-Signal Inc., Kansas City Division (KCD), manufactures the electrical, electrochemical, mechanical, and plastic components for nuclear weapons. The KCD has made a commitment to eliminate the use of chlorohydrocarbon (CHC) and chlorofluorocarbon (CFC) solvents to the greatest technical extent possible consistent with nuclear safety and stockpile reliability requirements. Current cleaning processes in the production departments use trichloroethylene, 1,1,1-trichloroethane, and various CFC-113 based solvents. Several non-halogenated solvents (Solvent A - an aqueous solvent based on N,N-dimethylacetamide, Solvent B - an aqueous mixture of ethanol amines, Solvent C - a hydrocarbon solvent based on octadecyl acetate, Solvent D - a terpene (d-limonene) hydrocarbon solvent combined with emulsifiers, Solvent E - a terpene (d-limonene) hydrocarbon solvent combined with a separation agent, d-limonene, and isopropyl alcohol) were evaluated to determine the most effective, non-chlorinated, non-fluorinated, alternate solvent cleaning system. All of these solvents were evaluated using current manual spray cleaning processes. The solvents were evaluated for their effectiveness in removing a rosin based RMA solder flux, a particular silicone mold release, and oils, greases, mold releases, resins, etc. The Meseran Surface Analyzer was used to measure organic contamination on the samples before and after cleaning. An Omega Meter Model 600 was also used to detect solder flux residues. Solvents C, D, E and d-limonene the best alternatives to trichloroethylene for removing all of the contaminants tested. For this particular electronic assembly, d-limonene was chosen as the alternate because of material compatibility and long-term reliability concerns.

  11. Solvent Immersion Imprint Lithography

    SciTech Connect

    Vasdekis, Andreas E.; Wilkins, Michael J.; Grate, Jay W.; Kelly, Ryan T.; Konopka, Allan; Xantheas, Sotiris S.; Chang, M. T.

    2014-06-21

    The mechanism of polymer disolution was explored for polymer microsystem prototyping, including microfluidics and optofluidics. Polymer films are immersed in a solvent, imprinted and finally brought into contact with a non-modified surface to permanently bond. The underlying polymer-solvent interactions were experimentally and theoretically investigated, and enabled rapid polymer microsystem prototyping. During imprinting, small molecule integration in the molded surfaces was feasible, a principle applied to oxygen sensing. Polystyrene (PS) was employed for microbiological studies at extreme environmental conditions. The thermophile anaerobe Clostridium Thermocellum was grown in PS pore-scale micromodels, revealing a double mean generation lifetime than under ideal culture conditions. Microsystem prototyping through directed polymer dissolution is simple and accessible, while simultaneous patterning, bonding, and surface/volume functionalization are possible in less than one minute.

  12. 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 ...

  13. Solvent extraction of hydrocarbon oils

    SciTech Connect

    Sequeira, A.J.

    1982-05-04

    A solvent refining process is disclosed utilizing n-methyl-2-pyrrolidone as solvent. The extract from the solvent extraction zone is cooled to form two immiscible liquid phases, a secondary extract phase and a secondary raffinate phase. The secondary raffinate phase is returned to the extraction zone resulting in increased yield of refined oil product and savings in energy required for the process.

  14. 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.

  15. Widely different luminescence lifetimes of the [Delta]RRR, [Lambda]SSS and the [Delta]RRS, [Lambda]SSR diastereomers of fac-tris[(8-quinolyl)phenylmethylsily] iridium(III): Exciplex formation with solvents by distinct [sigma]-donor and [pi]-acceptor binding mechanisms

    SciTech Connect

    Djurovich, P.I.; Cook, W.; Joshi, R.; Watts, R.J. )

    1994-01-13

    Luminescence lifetimes ([tau][sub m]) of the [sigma]-bond-to-ligand charge-transfer (SBLCT) excited states of two diastereomers of fac-tris[(8-quinolyl)phenylmethylsilyl]iridium(III) differ by about a factor of 2 and are strongly solvent dependent. The [tau][sub m] values of the more symmetric [Delta]RRR, [Lambda]SSS diastereomer (A) are generally longer than those of the less symmetric [Delta]RRS, [Lambda]SSR diastereomer (B); [tau][sub m]'s of both diastereomers are substantially shortened relative to their values in aliphatic hydrocarbons by exciplex formation with a variety of weakly coordinating solvents including aromatic hydrocarbons, olefins, ethers, ketones, alcohols, and nitriles. Quenching constants (k[sub q]) due to exciplex formation are found to be much larger for B than they are for A in the [sigma]-donor solvents (cyclic ethers, ketones, alcohols, and nitriles); however, k[sub q] values of B are slightly smaller than those of A in [pi]-acceptor solvents (aromatic hydrocarbons, olefins). The results suggest that [sigma]-donor solvents form exciplexes by binding at the metal center, whereas [pi]-acceptor solvents bind at a quinolyl radical anion ligand site. A and B may prove useful as luminescent environmental probes which can distinguish between [sigma]-donor and [pi]-acceptor binding sites. 19 refs., 1 fig., 1 tab.

  16. Weakly broken galileon symmetry

    NASA Astrophysics Data System (ADS)

    Pirtskhalava, David; Santoni, Luca; Trincherini, Enrico; Vernizzi, Filippo

    2015-09-01

    Effective theories of a scalar phi invariant under the internal galileon symmetry phi?phi+b? x? have been extensively studied due to their special theoretical and phenomenological properties. In this paper, we introduce the notion of weakly broken galileon invariance, which characterizes the unique class of couplings of such theories to gravity that maximally retain their defining symmetry. The curved-space remnant of the galileon's quantum properties allows to construct (quasi) de Sitter backgrounds largely insensitive to loop corrections. We exploit this fact to build novel cosmological models with interesting phenomenology, relevant for both inflation and late-time acceleration of the universe.

  17. Weak decay of hypernuclei

    SciTech Connect

    Grace, R.

    1983-01-01

    The Moby Dick spectrometer (at BNL) in coincidence with a range spectrometer and a TOF neutron detector will be used to study the weak decay modes of /sup 12/C. The Moby Dick spectrometer will be used to reconstruct and tag events in which specific hypernuclear states are formed in the reaction K/sup -/ + /sup 12/C ..-->.. ..pi../sup -/ + /sup 12/C. Subsequent emission of decay products (pions, protons and neutrons) in coincidence with the fast forward pion will be detected in a time and range spectrometer, and a neutron detector.

  18. Weakly broken galileon symmetry

    SciTech Connect

    Pirtskhalava, David; Santoni, Luca; Trincherini, Enrico; Vernizzi, Filippo

    2015-09-01

    Effective theories of a scalar ϕ invariant under the internal galileon symmetryϕ→ϕ+b{sub μ}x{sup μ} have been extensively studied due to their special theoretical and phenomenological properties. In this paper, we introduce the notion of weakly broken galileon invariance, which characterizes the unique class of couplings of such theories to gravity that maximally retain their defining symmetry. The curved-space remnant of the galileon’s quantum properties allows to construct (quasi) de Sitter backgrounds largely insensitive to loop corrections. We exploit this fact to build novel cosmological models with interesting phenomenology, relevant for both inflation and late-time acceleration of the universe.

  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. Solvent replacement for green processing.

    PubMed Central

    Sherman, J; Chin, B; Huibers, P D; Garcia-Valls, R; Hatton, T A

    1998-01-01

    The implementation of the Montreal Protocol, the Clean Air Act, and the Pollution Prevention Act of 1990 has resulted in increased awareness of organic solvent use in chemical processing. The advances made in the search to find "green" replacements for traditional solvents are reviewed, with reference to solvent alternatives for cleaning, coatings, and chemical reaction and separation processes. The development of solvent databases and computational methods that aid in the selection and/or design of feasible or optimal environmentally benign solvent alternatives for specific applications is also discussed. Images Figure 2 Figure 3 PMID:9539018

  1. Solvent incineration in the swift

    SciTech Connect

    Lewandowski, K.E.

    1983-04-01

    A Solvent Injection System was developed for the spray incineration of spent Purex solvents. The incineration of n-paraffin, tributylphosphate (TBP), and calcium hydroxide slurries was demonstrated using the Solvent Waste Incineration Facility for Testing and the Solvent Injection System. The injection system proved capable of pumping slurries, keeping them agitated to prevent settling, and spraying them into the primary incinerator chamber for burning. These tests demonstrate that the 150,000 gallons of spent Purex solvent (70% n-paraffin and 30% TBP) that has been stored in the burial ground can now be disposed of through incineration. 14 refs., 9 figs., 7 tabs.

  2. The reorganization energy of electron transfer in nonpolar solvents: molecular level treatment of the solvent.

    PubMed

    Leontyev, I V; Tachiya, M

    2005-12-01

    The intermolecular electron transfer in a solute pair consisting of pyrene and dimethylaniline is investigated in a nonpolar solvent, n-hexane. The earlier elaborated approach [M. Tachiya, J. Phys Chem. 97, 5911 (1993)] is used; this method provides a physically relevant background for separating inertial and inertialess polarization responses for both nonpolarizable and polarizable molecular level simulations. The molecular-dynamics technique was implemented for obtaining the equilibrium ensemble of solvent configurations. The nonpolar solvent, n-hexane, was treated in terms of OPLS-AA parametrization. Solute Lennard-Jones parameters were taken from the same parametrization. Solute charge distributions of the initial and final states were determined using ab initio level [HF/6-31G(d,p)] quantum-chemical calculations. Configuration analysis was performed explicitly taking into account the anisotropic polarizability of n-hexane. It is shown that the Gaussian law well describes calculated distribution functions of the solvent coordinate, therefore, the rate constant of the ET reaction can be characterized by the reorganization energy. Evaluated values of the reorganization energies are in a range of 0.03-0.11 eV and significant contribution (more then 40% of magnitude) comes from anisotropic polarizability. Investigation of the reorganization energy lambda dependence on the solute pair separation distance d revealed unexpected behavior. The dependence has a very sharp peak at the distance d=7 A where solvent molecules are able to penetrate into the intermediate space between the solute pair. The reason for such behavior is clarified. This new effect has a purely molecular origin and cannot be described within conventional continuum solvent models. PMID:16375484

  3. The reorganization energy of electron transfer in nonpolar solvents: Molecular level treatment of the solvent

    NASA Astrophysics Data System (ADS)

    Leontyev, I. V.; Tachiya, M.

    2005-12-01

    The intermolecular electron transfer in a solute pair consisting of pyrene and dimethylaniline is investigated in a nonpolar solvent, n-hexane. The earlier elaborated approach [M. Tachiya, J. Phys Chem. 97, 5911 (1993)] is used; this method provides a physically relevant background for separating inertial and inertialess polarization responses for both nonpolarizable and polarizable molecular level simulations. The molecular-dynamics technique was implemented for obtaining the equilibrium ensemble of solvent configurations. The nonpolar solvent, n-hexane, was treated in terms of OPLS-AA parametrization. Solute Lennard-Jones parameters were taken from the same parametrization. Solute charge distributions of the initial and final states were determined using ab initio level [HF/6-31G(d,p)] quantum-chemical calculations. Configuration analysis was performed explicitly taking into account the anisotropic polarizability of n-hexane. It is shown that the Gaussian law well describes calculated distribution functions of the solvent coordinate, therefore, the rate constant of the ET reaction can be characterized by the reorganization energy. Evaluated values of the reorganization energies are in a range of 0.03-0.11 eV and significant contribution (more then 40% of magnitude) comes from anisotropic polarizability. Investigation of the reorganization energy ? dependence on the solute pair separation distance d revealed unexpected behavior. The dependence has a very sharp peak at the distance d =7 where solvent molecules are able to penetrate into the intermediate space between the solute pair. The reason for such behavior is clarified. This new effect has a purely molecular origin and cannot be described within conventional continuum solvent models.

  4. The reorganization energy of electron transfer in nonpolar solvents: Molecular level treatment of the solvent

    SciTech Connect

    Leontyev, I.V.; Tachiya, M.

    2005-12-08

    The intermolecular electron transfer in a solute pair consisting of pyrene and dimethylaniline is investigated in a nonpolar solvent, n-hexane. The earlier elaborated approach [M. Tachiya, J. Phys Chem. 97, 5911 (1993)] is used; this method provides a physically relevant background for separating inertial and inertialess polarization responses for both nonpolarizable and polarizable molecular level simulations. The molecular-dynamics technique was implemented for obtaining the equilibrium ensemble of solvent configurations. The nonpolar solvent, n-hexane, was treated in terms of OPLS-AA parametrization. Solute Lennard-Jones parameters were taken from the same parametrization. Solute charge distributions of the initial and final states were determined using ab initio level [HF/6-31G(d,p)] quantum-chemical calculations. Configuration analysis was performed explicitly taking into account the anisotropic polarizability of n-hexane. It is shown that the Gaussian law well describes calculated distribution functions of the solvent coordinate, therefore, the rate constant of the ET reaction can be characterized by the reorganization energy. Evaluated values of the reorganization energies are in a range of 0.03-0.11 eV and significant contribution (more then 40% of magnitude) comes from anisotropic polarizability. Investigation of the reorganization energy {lambda} dependence on the solute pair separation distance d revealed unexpected behavior. The dependence has a very sharp peak at the distance d=7 A where solvent molecules are able to penetrate into the intermediate space between the solute pair. The reason for such behavior is clarified. This new effect has a purely molecular origin and cannot be described within conventional continuum solvent models.

  5. Next Generation Solvent (NGS): Development for Caustic-Side Solvent Extraction of Cesium

    SciTech Connect

    Moyer, Bruce A.; Birdwell, Jr, Joseph F.; Bonnesen, Peter V.; Bruffey, Stephanie H.; Delmau, Laetitia Helene; Duncan, Nathan C.; Ensor, Dale; Hill, Talon G.; Lee, Denise L.; Rajbanshi, Arbin; Roach, Benjamin D.; Szczygiel, Patricia L.; Frederick V. Sloop, Jr.; Stoner, Erica L.; Williams, Neil J.

    2014-03-01

    This report summarizes the FY 2010 and 2011 accomplishments at Oak Ridge National Laboratory (ORNL) in developing the Next Generation Caustic-Side Solvent Extraction (NG-CSSX) process, referred to commonly as the Next Generation Solvent (NGS), under funding from the U.S. Department of Energy, Office of Environmental Management (DOE-EM), Office of Technology Innovation and Development. The primary product of this effort is a process solvent and preliminary flowsheet capable of meeting a target decontamination factor (DF) of 40,000 for worst-case Savannah River Site (SRS) waste with a concentration factor of 15 or higher in the 18-stage equipment configuration of the SRS Modular Caustic-Side Solvent Extraction Unit (MCU). In addition, the NG-CSSX process may be readily adapted for use in the SRS Salt Waste Processing Facility (SWPF) or in supplemental tank-waste treatment at Hanford upon appropriate solvent or flowsheet modifications. Efforts in FY 2010 focused on developing a solvent composition and process flowsheet for MCU implementation. In FY 2011 accomplishments at ORNL involved a wide array of chemical-development activities and testing up through single-stage hydraulic and mass-transfer tests in 5-cm centrifugal contactors. Under subcontract from ORNL, Argonne National Laboratory (ANL) designed a preliminary flowsheet using ORNL cesium distribution data, and Tennessee Technological University confirmed a chemical model for cesium distribution ratios (DCs) as a function of feed composition. Inter laboratory efforts were coordinated with complementary engineering tests carried out (and reported separately) by personnel at Savannah River National Laboratory (SRNL) and Savannah River Remediation (SRR) with helpful advice by Parsons Engineering and General Atomics on aspects of possible SWPF implementation.

  6. Solvent use and psychiatric comorbidity.

    PubMed

    Dinwiddie, S H; Reich, T; Cloninger, C R

    1990-12-01

    From a family study of 286 alcoholics, 157 felons, 60 control subjects, and 1640 of their relatives, 130 solvent users were retrospectively identified. Risk for diagnosis of antisocial personality disorder was significantly elevated for all solvent users. Relatives, though not probands, were more likely to receive diagnoses of alcoholism and secondary depression, but this relationship appeared to be mediated by the presence of antisocial personality disorder. Solvent users were not at increased risk for primary depression or other psychiatric illnesses. Subjects reporting any solvent use also had significantly increased risk of suicidal ideation and suicide attempt compared to non-users, with half of the solvent users reporting suicidal ideation and 30% reporting a history of suicide attempt. However, risk for suicidal ideation and suicide attempt among solvent users appeared to covary with presence of antisocial personality disorder, alcoholism, and secondary depression rather than being specifically associated with solvent use. PMID:2289066

  7. Optimized coordinates in vibrational coupled cluster calculations

    NASA Astrophysics Data System (ADS)

    Thomsen, Bo; Yagi, Kiyoshi; Christiansen, Ove

    2014-04-01

    The use of variationally optimized coordinates, which minimize the vibrational self-consistent field (VSCF) ground state energy with respect to orthogonal transformations of the coordinates, has recently been shown to improve the convergence of vibrational configuration interaction (VCI) towards the exact full VCI [K. Yagi, M. Keeli, and S. Hirata, J. Chem. Phys. 137, 204118 (2012)]. The present paper proposes an incorporation of optimized coordinates into the vibrational coupled cluster (VCC), which has in the past been shown to outperform VCI in approximate calculations where similar restricted state spaces are employed in VCI and VCC. An embarrassingly parallel algorithm for variational optimization of coordinates for VSCF is implemented and the resulting coordinates and potentials are introduced into a VCC program. The performance of VCC in optimized coordinates (denoted oc-VCC) is examined through pilot applications to water, formaldehyde, and a series of water clusters (dimer, trimer, and hexamer) by comparing the calculated vibrational energy levels with those of the conventional VCC in normal coordinates and VCI in optimized coordinates. For water clusters, in particular, oc-VCC is found to gain orders of magnitude improvement in the accuracy, exemplifying that the combination of optimized coordinates localized to each monomer with the size-extensive VCC wave function provides a supreme description of systems consisting of weakly interacting sub-systems.

  8. Optimized coordinates in vibrational coupled cluster calculations

    SciTech Connect

    Thomsen, Bo; Christiansen, Ove; Yagi, Kiyoshi

    2014-04-21

    The use of variationally optimized coordinates, which minimize the vibrational self-consistent field (VSCF) ground state energy with respect to orthogonal transformations of the coordinates, has recently been shown to improve the convergence of vibrational configuration interaction (VCI) towards the exact full VCI [K. Yagi, M. Keçeli, and S. Hirata, J. Chem. Phys. 137, 204118 (2012)]. The present paper proposes an incorporation of optimized coordinates into the vibrational coupled cluster (VCC), which has in the past been shown to outperform VCI in approximate calculations where similar restricted state spaces are employed in VCI and VCC. An embarrassingly parallel algorithm for variational optimization of coordinates for VSCF is implemented and the resulting coordinates and potentials are introduced into a VCC program. The performance of VCC in optimized coordinates (denoted oc-VCC) is examined through pilot applications to water, formaldehyde, and a series of water clusters (dimer, trimer, and hexamer) by comparing the calculated vibrational energy levels with those of the conventional VCC in normal coordinates and VCI in optimized coordinates. For water clusters, in particular, oc-VCC is found to gain orders of magnitude improvement in the accuracy, exemplifying that the combination of optimized coordinates localized to each monomer with the size-extensive VCC wave function provides a supreme description of systems consisting of weakly interacting sub-systems.

  9. Occupational solvent exposure and cognition

    PubMed Central

    Sabbath, E.L.; Glymour, M.M.; Berr, C.; Singh-Manoux, A.; Zins, M.; Goldberg, M.

    2012-01-01

    Objective: Chronic occupational solvent exposure is associated with long-term cognitive deficits. Cognitive reserve may protect solvent-exposed workers from cognitive impairment. We tested whether the association between chronic solvent exposure and cognition varied by educational attainment, a proxy for cognitive reserve. Methods: Data were drawn from a prospective cohort of French national gas and electricity (GAZEL) employees (n = 4,134). Lifetime exposure to 4 solvent types (chlorinated solvents, petroleum solvents, benzene, and nonbenzene aromatic solvents) was assessed using a validated job-exposure matrix. Education was dichotomized at less than secondary school or below. Cognitive impairment was defined as scoring below the 25th percentile on the Digit Symbol Substitution Test at mean age 59 (SD 2.8; 88% of participants were retired at testing). Log-binomial regression was used to model risk ratios (RRs) for poor cognition as predicted by solvent exposure, stratified by education and adjusted for sociodemographic and behavioral factors. Results: Solvent exposure rates were higher among less-educated patients. Within this group, there was a dose-response relationship between lifetime exposure to each solvent type and RR for poor cognition (e.g., for high exposure to benzene, RR = 1.24, 95% confidence interval 1.091.41), with significant linear trends (p < 0.05) in 3 out of 4 solvent types. Recency of solvent exposure also predicted worse cognition among less-educated patients. Among those with secondary education or higher, there was no significant or near-significant relationship between any quantification of solvent exposure and cognition. Conclusions: Solvent exposure is associated with poor cognition only among less-educated individuals. Higher cognitive reserve in the more-educated group may explain this finding. PMID:22641403

  10. Solvent Fractionation of Lignin

    SciTech Connect

    Chatterjee, Sabornie; Saito, Tomonori

    2014-01-01

    Lignin is a highly abundant source of renewable carbon that can be considered as a valuable sustainable source of biobased materials. The major issues for the commercial production of value added high performance lignin products are lignin s physical and chemical heterogenities. To overcome these problems, a variety of procedures have been developed to produce pure lignin suitable for high performace applications such as lignin-derived carbon materials. However, most of the isolation procedures affect lignin s properties and structure. In this chapter, a short review of the effect of solvent fractionation on lignin s properties and structure is presented.

  11. Solvent effects on the resonance Raman and electronic absorption spectra of bacteriochlorophyll a cation radical

    SciTech Connect

    Misono, Yasuhito; Itoh, Koichi; Limanatara, Leenawaty; Koyama, Yasushi

    1996-02-08

    Resonance Raman and electronic absorption spectra of bacteriocholrophyll a cation radical (BChl a{sup .+}) were recorded in 14 different kinds of solvents. The frequency of the ring-breathing Raman band of BChl a{sup .+} was in the region of 1596-1599 cm{sup -1} in solvents forming the pentacoordinated state in neutral bacteriochlorophyll a (BChl a), while it was in the region of 1584-1588 cm{sup -1} in solvents forming the hexacoordinated state. BChl a{sup .+} exhibited a key absorption band in the regions 546-554 and 557-563 nm in the above penta- and hexa-coordinating solvents. Therefore, it has been concluded that the penta- and hexa-coordinated states are retained even after conversion of BChl a into BChl a{sup .+} (one-electron oxidization). Application of this rule to the case of 2-propanol solution showed transformation from the penta- to the hexa-coordinated state upon one-electron oxidation in this particular solution. The coordination states of BChl a{sup .+} could be correlated with the donor number(DN) and the Taft parameters, {Beta} and {pi}{sup *}, of the solvent: The hexacoordinated state was formed in solvents with DN >= 18 or {Beta} > 0.5 showing higher electron donating power, while the pentacoordinated state was formed in solvents with {pi}{sup *} > 0.65 showing higher dielectric stabilization. 27 refs., 8 figs., 3 tabs.

  12. 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

  13. Weakly relativistic plasma expansion

    NASA Astrophysics Data System (ADS)

    Fermous, Rachid; Djebli, Mourad

    2015-04-01

    Plasma expansion is an important physical process that takes place in laser interactions with solid targets. Within a self-similar model for the hydrodynamical multi-fluid equations, we investigated the expansion of both dense and under-dense plasmas. The weakly relativistic electrons are produced by ultra-intense laser pulses, while ions are supposed to be in a non-relativistic regime. Numerical investigations have shown that relativistic effects are important for under-dense plasma and are characterized by a finite ion front velocity. Dense plasma expansion is found to be governed mainly by quantum contributions in the fluid equations that originate from the degenerate pressure in addition to the nonlinear contributions from exchange and correlation potentials. The quantum degeneracy parameter profile provides clues to set the limit between under-dense and dense relativistic plasma expansions at a given density and temperature.

  14. Weakly relativistic plasma expansion

    SciTech Connect

    Fermous, Rachid Djebli, Mourad

    2015-04-15

    Plasma expansion is an important physical process that takes place in laser interactions with solid targets. Within a self-similar model for the hydrodynamical multi-fluid equations, we investigated the expansion of both dense and under-dense plasmas. The weakly relativistic electrons are produced by ultra-intense laser pulses, while ions are supposed to be in a non-relativistic regime. Numerical investigations have shown that relativistic effects are important for under-dense plasma and are characterized by a finite ion front velocity. Dense plasma expansion is found to be governed mainly by quantum contributions in the fluid equations that originate from the degenerate pressure in addition to the nonlinear contributions from exchange and correlation potentials. The quantum degeneracy parameter profile provides clues to set the limit between under-dense and dense relativistic plasma expansions at a given density and temperature.

  15. A thermodynamic study of selective solvation in solvent mixtures.

    PubMed

    Cabot, Rafel; Hunter, Christopher A

    2010-04-21

    Changes in the (31)P NMR chemical shift of tri-n-butylphosphine oxide have been measured as function of solvent composition in a number of binary solvent mixtures. The data were analysed using a model that separates the contributions of specific H-bond interactions with the first solvation shell and the non-specific effects of the bulk solvent on the chemical shift. This allowed measurement of equilibrium constants between differently solvated states of the probe and hence thermodynamic quantification of preferential solvation in the binary mixtures. The results are analysed in the context of the electrostatic solvent competition model, which assumes that solvent effects on intermolecular interactions can be interpreted based on the exchange of specific functional group contacts, with minimal involvement of the bulk solvent. The thermodynamic measurements of preferential solvation were used to determine the H-bond donor parameter alpha for cyclohexane, n-octane, n-dodecane, benzene, 1,4-dioxane, carbon tetrachloride, acetone, dichloromethane, dimethyl sulfoxide and chloroform. For solvents where the H-bond donor parameters have been measured as solutes in carbon tetrachloride solution, the H-bond donor parameters measured here for the same compounds as solvents are practically identical, i.e. solute and solvent H-bond parameters are directly interchangable. For alkanes, the experimental H-bond donor parameter is significantly larger than expected based on calculated molecular electrostatic potential surfaces. This might suggest an increase in the relative importance of van der Waals interactions when electrostatic effects are weak. PMID:20449502

  16. Dynamics of weakly aggregated colloidal particles.

    PubMed

    Kilfoil, Maria L; Pashkovski, Eugene E; Masters, James A; Weitz, D A

    2003-04-15

    We discuss the behaviour of the dynamics of colloidal particles with a weak attractive interparticle interaction that is induced through the addition of polymer to the solvent. We briefly review the description of their behaviour in terms of the jamming phase diagram, which parametrized the fluid-to-solid transition due to changes in volume fraction, attractive energy or applied stress. We focus on a discussion of ageing of the solid gels formed by these colloid-polymer mixtures. They exhibit a delayed collapse induced by gravity. The time evolution of the height of the sediment exhibits an unexpected scaling behaviour, suggesting a universal nature to this delayed collapse. We complement these measurements of the scaling of the collapse with microscopic investigations of the evolution of the structure of the network using confocal microscopy. These results provide new insight into the origin of this ageing behaviour. PMID:12871623

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

    SciTech Connect

    Delmau, Laetitia Helene; Moyer, Bruce A

    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.

  18. Generalized Born and Explicit Solvent Models for Free Energy Calculations in Organic Solvents: Cyclodextrin Dimerization.

    PubMed

    Zhang, Haiyang; Tan, Tianwei; van der Spoel, David

    2015-11-10

    Evaluation of solvation (binding) free energies with implicit solvent models in different dielectric environments for biological simulations as well as high throughput ligand screening remain challenging endeavors. In order to address how well implicit solvent models approximate explicit ones we examined four generalized Born models (GB(Still), GB(HCT), GB(OBC)I, and GB(OBC)II) for determining the dimerization free energy (ΔG(0)) of β-cyclodextrin monomers in 17 implicit solvents with dielectric constants (D) ranging from 5 to 80 and compared the results to previous free energy calculations with explicit solvents ( Zhang et al. J. Phys. Chem. B 2012 , 116 , 12684 - 12693 ). The comparison indicates that neglecting the environmental dependence of Born radii appears acceptable for such calculations involving cyclodextrin and that the GB(Still) and GB(OBC)I models yield a reasonable estimation of ΔG(0), although the details of binding are quite different from explicit solvents. Large discrepancies between implicit and explicit solvent models occur in high-dielectric media with strong hydrogen bond (HB) interruption properties. ΔG(0) with the GB models is shown to correlate strongly to 2(D-1)/(2D+1) (R(2) ∼ 0.90) in line with the Onsager reaction field ( Onsager J. Am. Chem. Soc. 1936 , 58 , 1486 - 1493 ) but to be very sensitive to D (D < 10) as well. Both high-dielectric environments where hydrogen bonds are of interest and low-dielectric media such as protein binding pockets and membrane interiors therefore need to be considered with caution in GB-based calculations. Finally, a literature analysis of Gibbs energy of solvation of small molecules in organic liquids shows that the Onsager relation does not hold for real molecules since the correlation between ΔG(0) and 2(D-1)/(2D+1) is low for most solutes. Interestingly, explicit solvent calculations of the solvation free energy ( Zhang et al. J. Chem. Inf. Model . 2015 , 55 , 1192 - 1201 ) reproduce the weak experimental correlations with 2(D-1)/(2D+1) very well. PMID:26574308

  19. Supercritical multicomponent solvent coal extraction

    NASA Technical Reports Server (NTRS)

    Corcoran, W. H.; Fong, W. S.; Pichaichanarong, P.; Chan, P. C. F.; Lawson, D. D. (Inventor)

    1983-01-01

    The yield of organic extract from the supercritical extraction of coal with larger diameter organic solvents such as toluene is increased by use of a minor amount of from 0.1 to 10% by weight of a second solvent such as methanol having a molecular diameter significantly smaller than the average pore diameter of the coal.

  20. Method for regenerating scale solvent

    SciTech Connect

    Morris, R.L.; Paul, J.M.

    1992-02-11

    This patent describes improvement in the method for removing alkaline earth sulfate scale by contacting the scale with an aqueous solvent having a pH of about 8 to abut 14 and comprising a chelating agent comprising a polyaminopolycarboxylic acid or salt of such an acid, and a synergist anion. The improvement comprises removing alkaline earth sulfate scale dissolved in the aqueous solvent by: acidifying the aqueous solvent containing dissolved scale sufficiently to generate free alkaline earth metal ions without forming an insoluble alkaline earth precipitate; mixing the aqueous solvent with a liquid hydrocarbonaceous membrane phase containing a soluble surfactant and an oil soluble emulsifier, the liquid membrane emulsion enveloped around droplets of an internal aqueous phase comprising an aqueous solution having a pH of from about 8 to about 14 and a chelating agent comprising a polyaminopolycarboxylic acid or a salt of such an acid, wherein the free alkaline earth ions transfer from the solvent into the hydrocarbonaceous membrane and into the internal aqueous phase where the ions are removed by the chelating agent; and recovering the aqueous solvent and increasing the pH of the aqueous solvent to a value of about 10 to about 14 to produce a regenerated aqueous solvent for reuse.

  1. Chemical reactivity: Inverse solvent design

    NASA Astrophysics Data System (ADS)

    Truhlar, Donald G.

    2013-11-01

    Choosing a solvent for a particular reaction is often a matter of personal preference or the result of limited screening. Now, a computational method allows identification of a solvent that will enhance the kinetics of a reaction prior to running a wet experiment.

  2. Processing Coordination Ambiguity

    ERIC Educational Resources Information Center

    Engelhardt, Paul E.; Ferreira, Fernanda

    2010-01-01

    We examined temporarily ambiguous coordination structures such as "put the butter in the bowl and the pan on the towel." Minimal Attachment predicts that the ambiguous noun phrase "the pan" will be interpreted as a noun-phrase coordination structure because it is syntactically simpler than clausal coordination. Constraint-based theories assume

  3. Analysis Coordinator Report

    NASA Technical Reports Server (NTRS)

    Nothnagel, A.

    2013-01-01

    We present the IVS analysis coordination issues of 2012. The IVS Analysis Coordinator is responsible for generating and disseminating the official IVS products. This requires consistency of the input data by strict adherence to models and conventions. The term of the current IVS Analysis Coordinator will end on February 28, 2013.

  4. Processing Coordination Ambiguity

    ERIC Educational Resources Information Center

    Engelhardt, Paul E.; Ferreira, Fernanda

    2010-01-01

    We examined temporarily ambiguous coordination structures such as "put the butter in the bowl and the pan on the towel." Minimal Attachment predicts that the ambiguous noun phrase "the pan" will be interpreted as a noun-phrase coordination structure because it is syntactically simpler than clausal coordination. Constraint-based theories assume…

  5. Solvent degradation products in nuclear fuel processing solvents

    SciTech Connect

    Shook, H.E. Jr.

    1988-06-01

    The Savannah River Plant uses a modified Purex process to recover enriched uranium and separate fission products. This process uses 7.5% tri-n-butyl phosphate (TBP) dissolved in normal paraffin hydrocarbons for the solvent extraction of a nitric acid solution containing the materials to be separated. Periodic problems in product decontamination result from solvent degradation. A study to improve process efficiency has identified certain solvent degradation products and suggested mitigation measures. Undecanoic acid, lauric acid, and tridecanoic acid were tentatively identified as diluent degradation products in recycle solvent. These long-chain organic acids affect phase separation and lead to low decontamination factors. Solid phase extraction (SPE) was used to concentrate the organic acids in solvent prior to analysis by high performance liquid chromatography (HPLC). SPE and HPLC methods were optimized in this work for analysis of decanoic acid, undecanoic acid, and lauric acid in solvent. Accelerated solvent degradation studies with 7.5% TBP in normal paraffin hydrocarbons showed that long-chain organic acids and long-chain alkyl butyl phosphoric acids are formed by reactions with nitric acid. Degradation of both tributyl phosphate and hydrocarbon can be minimized with purified normal paraffin replacing the standard grade presently used. 12 refs., 1 fig., 3 tabs.

  6. Solvent effect on palladium-catalyzed cross-coupling reactions and implications on the active catalytic species.

    PubMed

    Proutiere, Fabien; Schoenebeck, Franziska

    2011-08-22

    Suzuki coupling of the bifunctional substrate 1 using [Pd(2)(dba)(3)]/PtBu(3) gives selectivity for C-Cl in nonpolar solvents but for C-OTf in polar solvents. The results of computational and experimental studies suggest that the catalytically active species in polar solvents under conditions employing coordinating additives is inconsistent with monoligated [Pd(PtBu(3))]. Instead, the data are consistent with an anionic palladium complex as the active species. PMID:21751309

  7. 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...

  8. Movement Coordination during Conversation

    PubMed Central

    Latif, Nida; Barbosa, Adriano V.; Vatiokiotis-Bateson, Eric; Castelhano, Monica S.; Munhall, K. G.

    2014-01-01

    Behavioral coordination and synchrony contribute to a common biological mechanism that maintains communication, cooperation and bonding within many social species, such as primates and birds. Similarly, human language and social systems may also be attuned to coordination to facilitate communication and the formation of relationships. Gross similarities in movement patterns and convergence in the acoustic properties of speech have already been demonstrated between interacting individuals. In the present studies, we investigated how coordinated movements contribute to observers perception of affiliation (friends vs. strangers) between two conversing individuals. We used novel computational methods to quantify motor coordination and demonstrated that individuals familiar with each other coordinated their movements more frequently. Observers used coordination to judge affiliation between conversing pairs but only when the perceptual stimuli were restricted to head and face regions. These results suggest that observed movement coordination in humans might contribute to perceptual decisions based on availability of information to perceivers. PMID:25119189

  9. Solvent extraction of lubricating oils

    SciTech Connect

    Sequeira, A. Jr.

    1991-08-13

    This patent describes improvement in a process for solvent refining a hydrocarbon based lubricating oil stock containing aromatics and non-aromatics components with an extraction solvent wherein the lubricating oil stock is contacted with the extraction solvent in a first extraction zone at a first extraction temperature in the range of 100{degrees} F to 250{degrees} F and a solvent to oil dosage in the range of 75 to 500 vol % forming an aromatics-rich primary extract and an aromatics-lean primary raffinate of high viscosity index of at least 85. The improvement comprises: withdrawing and cooling the primary extract to a temperature 10{degrees} F to 120{degrees} F below the extraction temperature and admixing with 0.0 vol % to 10 vol % anti-solvent thereby forming a secondary extract and a secondary raffinate, passing the secondary raffinate to a second extraction zone wherein the secondary raffinate is contacted with the extraction solvent at a second extraction temperature in the range of 100{degrees} F to 250{degrees} F and solvent to oil dosage in the range of 75 to 500 vol %, to form an aromatics-lean tertiary raffinate phase of viscosity index 65 or greater.

  10. Weak values as interference phenomena

    NASA Astrophysics Data System (ADS)

    Dressel, Justin

    2015-03-01

    Weak values arise experimentally as conditioned averages of weak (noisy) observable measurements that minimally disturb an initial quantum state, and also as dynamical variables for reduced quantum state evolution even in the absence of measurement. These averages can exceed the eigenvalue range of the observable ostensibly being estimated, which has prompted considerable debate regarding their interpretation. Classical conditioned averages of noisy signals only show such anomalies if the quantity being measured is also disturbed prior to conditioning. This fact has recently been rediscovered, along with the question whether anomalous weak values are merely classical disturbance effects. Here we carefully review the role of the weak value as both a conditioned observable estimation and a dynamical variable, and clarify why classical disturbance models will be insufficient to explain the weak value unless they can also simulate other quantum interference phenomena.

  11. Swelling of lignites in organic solvents

    SciTech Connect

    R.G. Makitra; D.V. Bryk

    2008-10-15

    Data on the swelling of Turkish lignites can be summarized using linear multiparameter equations that take into account various properties of solvents. Factors responsible for the amounts of absorbed solvents are the basicity and cohesion energy density of the solvents.

  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. Acquired intolerance to organic solvents and results of vestibular testing

    SciTech Connect

    Gyntelberg, F.; Vesterhauge, S.; Fog, P.; Isager, H.; Zillstorff, K.

    1986-01-01

    Among 160 consecutive patients referred to the Clinic of Occupational Medicine, Rigshospitalet, for symptoms connected with exposure to organic solvents, 20 exhibited symptoms of acquired intolerance to minor amounts of organic solvents. Later, an additional 30 consecutive patients with symptoms of acquired intolerance were included, yielding a total of 43 men and 7 women. The characteristics of the clinical syndrome described are complaints of dizziness, nausea, and weakness after exposure to minimal solvent vapor concentrations. After having tolerated long-term occupational exposure to moderate or high air concentrations of various organic solvents, the patients became intolerant within a short period of time. Since dizziness was a frequent complaint, we tried to obtain a measure of the patients' complaints using vestibular tests. As a diagnostic test the combined vestibular tests had a sensitivity of 0.55 and a specificity of 0.87. No differences between patients with and without intolerance could be detected by the vestibular tests used. We conclude that acquired intolerance to organic solvents is a new but characteristic and easily recognizable syndrome, often with severe consequences for the patient's working ability.

  14. Self-similar solutions for weak shock reflection

    NASA Astrophysics Data System (ADS)

    Tesdall, Allen Mark

    We present numerical solutions of a two-dimensional Riemann problem for the unsteady transonic small disturbance equation that provides an asymptotic description of the Mach reflection of weak shock waves. We solve the equations in self-similar coordinates, and use local grid refinement near the triple point of the Mach reflection. The solutions contain a sequence of triple points and tiny supersonic patches immediately behind the leading triple point, formed by the reflection of weak shocks and expansion waves between the sonic line and the Mach shock.

  15. Solvent Polarity Tunes the Barrier Height for Twisted Intramolecular Charge Transfer in N-Pyrrolobenzonitrile (PBN).

    PubMed

    Bohnwagner, Mercedes V; Burghardt, Irene; Dreuw, Andreas

    2016-01-14

    4-(1H-pyrrol-1-yl)benzonitrile (PBN) is a typical intramolecular donor-acceptor (D/A) molecule that shows dual fluorescence in weakly polar environments. In this work the underlying photochemical reaction mechanism is investigated theoretically by using high-level ab initio methods including the recently implemented third order algebraic diagrammatic construction of the polarization propagator (ADC(3)). Solvation effects have been considered by using different sophisticated continuum model approaches. Our results conclusively explain all available experimental findings including the effects of excitation wavelength, temperature and solvent polarity. After photoexcitation in gas phase to the bright 2A (S2, ππ*) state, PBN relaxes on the 2A state surface until a conical intersection with the energetically close-lying dark 1B (S1, LE) state is reached. After passing this conical intersection PBN further relaxes on the LE state surface toward a minimum from which emission can occur. In polar environments this picture changes. Then the polar 2B (S3, CT) state is stabilized and an energy barrier along the twisting coordinate vanishes. As a consequence population of the twisted 2B state minimum becomes the dominating decay channel and red-shifted fluorescence occurs. PMID:26639634

  16. One-dimensional coordination polymers from hexanuclear manganese carboxylate clusters featuring a {Mn(II)4Mn(III)2(mu4-O)2} core and spacer linkers.

    PubMed

    Malaestean, Iurii L; Kravtsov, Victor Ch; Speldrich, Manfred; Dulcevscaia, Galina; Simonov, Yurii A; Lipkowski, Janusz; Ellern, Arkady; Baca, Svetlana G; Kgerler, Paul

    2010-09-01

    The bridging of hexanuclear mixed-valent carboxylate coordination clusters of the type [Mn(6)O(2)(O(2)CR)(10)] (R = CMe(3); CHMe(2)) featuring a {Mn(II)(4)Mn(III)(2)(mu(4)-O)(2)} core by geometrically rigid as well as flexible spacer ligands such as pyrazine (pyz), nicotinamide (na), or 1,2-bis(4-pyridyl)ethane (bpe) results exclusively in one-dimensional (1D) coordination polymers. The formation of {[Mn(6)O(2)(O(2)CCMe(3))(10)(Me(3)CCO(2)H)(EtOH)(na)] x EtOH x H(2)O}(n) (1), {[Mn(6)O(2)(O(2)CCHMe(2))(10)(pyz)(3)] x H(2)O}(n) (2), and {[Mn(6)O(2)(O(2)CCHMe(2))(10)(Me(2)CHCO(2)H)(EtOH)(bpe)] x Me(2)CHCO(2)H}(n) (3) illustrates a surprising preference of the interlinked {Mn(6)} units toward 1D coordination chains. In the solid-state, the observed chain propagation axes are either colinear (1 and 3) or perpendicular (2), whereby crystal packing is further influenced by solvent molecules. Magnetic properties of these network compounds can be rationalized based on that the magnetism of discrete [Mn(6)O(2)(O(2)CR)(10)]-type coordination clusters with all-antiferromagnetic intramolecular exchange and weak antiferromagnetic intercluster coupling in 1, 2, and 3 follows the expected exchange coupling strength of the employed spacer linkers. PMID:20681621

  17. The influence of organic sample solvents on the separation efficiency of basic compounds under strong cation exchange mode.

    PubMed

    Long, Zhen; Yu, Dongping; Liu, Yanfang; Du, Nana; Tao, Yanduo; Mei, Lijuan; Guo, Zhimou; Liang, Xinmiao

    2015-05-01

    This study investigated the influence of organic sample solvents on separation efficiency of basic compounds under strong cation exchange (SCX) mode. The mixtures of acidic aqueous solution and organic solvent such as acetonitrile, ethanol, methanol and dimethyl sulfoxide (DMSO) were tested as sample solvents. For later-eluting analytes, the increase of sample solvent elution strength was responsible for the decrease of separation efficiency. Thus, sample solvents with weak elution strength could provide high separation efficiencies. For earlier-eluting analytes, the retention of organic sample solvents was the main factor affecting separation efficiency. Weakly retained solvents could provide high separation efficiency. In addition, an optimized approach was proposed to reduce the effect of organic sample solvent, in which low ionic solvent was employed as initial mobile phase in the gradient. At last, the analysis of impurities in hydrophobic drug berberine was performed. The results showed that using acidic aqueous methanol as sample solvents could provide high separation efficiency and good resolution (R>1.5). PMID:25892072

  18. 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...

  19. RESIDUAL RISK ASSESSMENT: HALOGENATED SOLVENTS

    EPA Science Inventory

    This source category previously subjected to a technology-based standard will be examined to determine if health or ecological risks are significant enough to warrant further regulation for Halogenated Solvent Degreasing Facilities. These assessments utilize existing models and d...

  20. ON-SITE 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 low-emission vapor degreasing. The atmospheric and vacuum ...

  1. Experimental investigations of weak definite and weak indefinite noun phrases

    PubMed Central

    Klein, Natalie M.; Gegg-Harrison, Whitney M.; Carlson, Greg N.; Tanenhaus, Michael K.

    2013-01-01

    Definite noun phrases typically refer to entities that are uniquely identifiable in the speaker and addressee’s common ground. Some definite noun phrases (e.g. the hospital in Mary had to go the hospital and John did too) seem to violate this uniqueness constraint. We report six experiments that were motivated by the hypothesis that these “weak definite” interpretations arise in “incorporated” constructions. Experiments 1-3 compared nouns that seem to allow for a weak definite interpretation (e.g. hospital, bank, bus, radio) with those that do not (e.g. farm, concert, car, book). Experiments 1 and 2 used an instruction-following task and picture-judgment task, respectively, to demonstrate that a weak definite need not uniquely refer. In Experiment 3 participants imagined scenarios described by sentences such as The Federal Express driver had to go to the hospital/farm. The imagined scenarios following weak definite noun phrases were more likely to include conventional activities associated with the object, whereas following regular nouns, participants were more likely to imagine scenarios that included typical activities associated with the subject; similar effects were observed with weak indefinites. Experiment 4 found that object-related activities were reduced when the same subject and object were used with a verb that does not license weak definite interpretations. In Experiment 5, a science fiction story introduced an artificial lexicon for novel concepts. Novel nouns that shared conceptual properties with English weak definite nouns were more likely to allow weak reference in a judgment task. Experiment 6 demonstrated that familiarity for definite articles and anti- familiarity for indefinite articles applies to the activity associated with the noun, consistent with predictions made by the incorporation analysis. PMID:23685208

  2. Experimental investigations of weak definite and weak indefinite noun phrases.

    PubMed

    Klein, Natalie M; Gegg-Harrison, Whitney M; Carlson, Greg N; Tanenhaus, Michael K

    2013-08-01

    Definite noun phrases typically refer to entities that are uniquely identifiable in the speaker and addressee's common ground. Some definite noun phrases (e.g., the hospital in Mary had to go the hospital and John did too) seem to violate this uniqueness constraint. We report six experiments that were motivated by the hypothesis that these "weak definite" interpretations arise in "incorporated" constructions. Experiments 1-3 compared nouns that seem to allow for a weak definite interpretation (e.g., hospital, bank, bus, radio) with those that do not (e.g., farm, concert, car, book). Experiments 1 and 2 used an instruction-following task and picture-judgment task, respectively, to demonstrate that a weak definite need not uniquely refer. In Experiment 3 participants imagined scenarios described by sentences such as The Federal Express driver had to go to the hospital/farm. Scenarios following weak definite noun phrases were more likely to include conventional activities associated with the object, whereas following regular nouns, participants were more likely to imagine scenarios that included typical activities associated with the subject; similar effects were observed with weak indefinites. Experiment 4 found that object-related activities were reduced when the same subject and object were used with a verb that does not license weak definite interpretations. In Experiment 5, a science fiction story introduced an artificial lexicon for novel concepts. Novel nouns that shared conceptual properties with English weak definite nouns were more likely to allow weak reference in a judgment task. Experiment 6 demonstrated that familiarity for definite articles and anti-familiarity for indefinite articles applies to the activity associated with the noun, consistent with predictions made by the incorporation analysis. PMID:23685208

  3. Weak-shock reflection factors

    SciTech Connect

    Reichenbach, H.; Kuhl, A.L.

    1993-09-07

    The purpose of this paper is to compare reflection factors for weak shocks from various surfaces, and to focus attention on some unsolved questions. Three different cases are considered: square-wave planar shock reflection from wedges; square-wave planar shock reflection from cylinders; and spherical blast wave reflection from a planar surface. We restrict ourselves to weak shocks. Shocks with a Mach number of M{sub O} < 1.56 in air or with an overpressure of {Delta}{sub PI} < 25 psi (1.66 bar) under normal ambient conditions are called weak.

  4. Water as a solvent for life

    NASA Astrophysics Data System (ADS)

    Pohorille, Andrew

    2015-08-01

    “Follow the water” is our basic strategy in searching for life in the universe. The universality of water as the solvent for living systems is usually justified by arguing that water supports the rich organic chemistry that seeds life, but alternative chemistries are possible in other organic solvents. Here, other, essential criteria for life that have not been sufficiently considered so far, will be discussed.Life is based on non-covalent interactions. They might be either specific (enzyme-substrate interactions, selective ion transport) or nonspecific (lipid-lipid or lipid-protein interactions). Their strength needs to be properly tuned, and this is mediated by the solvent. If interactions are too weak, there might be undesired response to natural fluctuations of physical and chemical parameters. If they are too strong it could impede kinetics and energetics of cellular processes. Thus, the solvent must allow for balancing these interactions, which provides strong constraints for life.Water exhibits a remarkable trait that it promotes both solvophobic and solvophilic interactions. Solvophobic (hydrophobic in the case of water) interactions are necessary for self-organization of matter. They are responsible, among others, for the formation of membranes and protein folding. The diversity of structures supported by hydrophobic interactions is the hallmark of terrestrial life responsible for its diversity, evolution and the ability to survive environmental changes. Solvophilic interactions, in turn, are needed to ensure solubility of polar species. Water offers a large temperature domain of stable liquid and the characteristic hydrophobic effects are a consequence of the temperature insensitivity of essential properties of its liquid state. Water, however, might not be the only liquid with these properties. Properties of water and other pure liquids or their mixtures that have a high dielectric constant and simultaneously support self-organization will be compared. Properties that appear to be unfavorable to life (e.g. its chemical activity against polymerization reactions) will be discussed and the requirements for alternatives to water to support life in space will be summarized.

  5. Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

    SciTech Connect

    Schwerdtfeger, Christine A.; Soudackov, Alexander V.; Hammes-Schiffer, Sharon

    2014-01-21

    The development of efficient theoretical methods for describing electron transfer (ET) reactions in condensed phases is important for a variety of chemical and biological applications. Previously, dynamical dielectric continuum theory was used to derive Langevin equations for a single collective solvent coordinate describing ET in a polar solvent. In this theory, the parameters are directly related to the physical properties of the system and can be determined from experimental data or explicit molecular dynamics simulations. Herein, we combine these Langevin equations with surface hopping nonadiabatic dynamics methods to calculate the rate constants for thermal ET reactions in polar solvents for a wide range of electronic couplings and reaction free energies. Comparison of explicit and implicit solvent calculations illustrates that the mapping from explicit to implicit solvent models is valid even for solvents exhibiting complex relaxation behavior with multiple relaxation time scales and a short-time inertial response. The rate constants calculated for implicit solvent models with a single solvent relaxation time scale corresponding to water, acetonitrile, and methanol agree well with analytical theories in the Golden rule and solvent-controlled regimes, as well as in the intermediate regime. The implicit solvent models with two relaxation time scales are in qualitative agreement with the analytical theories but quantitatively overestimate the rate constants compared to these theories. Analysis of these simulations elucidates the importance of multiple relaxation time scales and the inertial component of the solvent response, as well as potential shortcomings of the analytical theories based on single time scale solvent relaxation models. This implicit solvent approach will enable the simulation of a wide range of ET reactions via the stochastic dynamics of a single collective solvent coordinate with parameters that are relevant to experimentally accessible systems.

  6. Outreach Coordination for the Plasma Sciences

    NASA Astrophysics Data System (ADS)

    Eastman, Timothy

    2001-04-01

    Outreach for the plasma sciences has adapted to multiple levels and venues for communicating the excitement and possibilities of the field. The internet and web are the most important new media for such public outreach. Nevertheless, a variety of outreach methods and coordination efforts will always be valuable because of their various strengths and weaknesses and the need to address a broad set of goals. This paper reviews ongoing coordination, education and public outreach efforts for the plasma sciences and their interrelation: internet-based web pages [e.g., plasmas.org], interactive tools [e.g., plasma dictionary at http://education-db.llnl.gov/plasma/], and newsgroups [sci.physics.plasma], articles and brochures, educational workshops, exhibits and coordination efforts such as the PlasmaNet [http://www.ias.unu.edu/networks/plasmanet/index.html] and the Coalition for Plasma Science [http://www.plasmacoalition.org].

  7. Weak interactions and presupernova evolution

    SciTech Connect

    Aufderheide, M.B. State Univ. of New York . 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.

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

    PubMed Central

    Lock, Edward A.; Zhang, Jing; Checkoway, Harvey

    2013-01-01

    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. PMID:23220449

  9. 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

  10. Small Weakly Universal Turing Machines

    NASA Astrophysics Data System (ADS)

    Neary, Turlough; Woods, Damien

    We give small universal Turing machines with state-symbol pairs of (6,2), (3,3) and (2,4). These machines are weakly universal, which means that they have an infinitely repeated word to the left of their input and another to the right. They simulate Rule 110 and are currently the smallest known weakly universal Turing machines. Despite their small size these machines are efficient polynomial time simulators of Turing machines.

  11. Solvent/Non-Solvent Sintering To Make Microsphere Scaffolds

    NASA Technical Reports Server (NTRS)

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

    2011-01-01

    A solvent/non-solvent sintering technique has been devised for joining polymeric microspheres to make porous matrices for use as drug-delivery devices or scaffolds that could be seeded with cells for growing tissues. Unlike traditional sintering at elevated temperature and pressure, this technique is practiced at room temperature and pressure and, therefore, does not cause thermal degradation of any drug, protein, or other biochemical with which the microspheres might be loaded to impart properties desired in a specific application. Also, properties of scaffolds made by this technique are more reproducible than are properties of comparable scaffolds made by traditional sintering. The technique involves the use of two miscible organic liquids: one that is and one that is not a solvent for the affected polymer. The polymeric microspheres are placed in a mold having the size and shape of the desired scaffold, then the solvent/non-solvent mixture is poured into the mold to fill the void volume between the microspheres, then the liquid mixture is allowed to evaporate. Some of the properties of the resulting scaffold can be tailored through choice of the proportions of the liquids and the diameter of the microspheres.

  12. Conserve Water: A Method for the Analysis of Solvent in Molecular Dynamics.

    PubMed

    Harrigan, Matthew P; Shukla, Diwakar; Pande, Vijay S

    2015-03-10

    Molecular dynamics with explicit solvent is favored for its ability to more correctly simulate aqueous biological processes and has become routine thanks to increasingly powerful computational resources. However, analysis techniques including Markov state models (MSMs) ignore solvent atoms and focus solely on solute coordinates despite solvent being implicated in myriad biological phenomena. We present a unified framework called "solvent-shells featurization" for including solvent degrees of freedom in analysis and show that this method produces better models. We apply this method to simulations of dewetting in the two-domain protein BphC to generate a predictive MSM and identify functional water molecules. Furthermore, the proposed methodology could be easily extended for building MSMs of any systems with indistinguishable components. PMID:26579759

  13. Precision metrology using weak measurements.

    PubMed

    Zhang, Lijian; Datta, Animesh; Walmsley, Ian A

    2015-05-29

    Weak values and measurements have been proposed as a means to achieve dramatic enhancements in metrology based on the greatly increased range of possible measurement outcomes. Unfortunately, the very large values of measurement outcomes occur with highly suppressed probabilities. This raises three vital questions in weak-measurement-based metrology. Namely, (Q1) Does postselection enhance the measurement precision? (Q2) Does weak measurement offer better precision than strong measurement? (Q3) Is it possible to beat the standard quantum limit or to achieve the Heisenberg limit with weak measurement using only classical resources? We analyze these questions for two prototypical, and generic, measurement protocols and show that while the answers to the first two questions are negative for both protocols, the answer to the last is affirmative for measurements with phase-space interactions, and negative for configuration space interactions. Our results, particularly the ability of weak measurements to perform at par with strong measurements in some cases, are instructive for the design of weak-measurement-based protocols for quantum metrology. PMID:26066422

  14. Precision Metrology Using Weak Measurements

    NASA Astrophysics Data System (ADS)

    Zhang, Lijian; Datta, Animesh; Walmsley, Ian A.

    2015-05-01

    Weak values and measurements have been proposed as a means to achieve dramatic enhancements in metrology based on the greatly increased range of possible measurement outcomes. Unfortunately, the very large values of measurement outcomes occur with highly suppressed probabilities. This raises three vital questions in weak-measurement-based metrology. Namely, (Q1) Does postselection enhance the measurement precision? (Q2) Does weak measurement offer better precision than strong measurement? (Q3) Is it possible to beat the standard quantum limit or to achieve the Heisenberg limit with weak measurement using only classical resources? We analyze these questions for two prototypical, and generic, measurement protocols and show that while the answers to the first two questions are negative for both protocols, the answer to the last is affirmative for measurements with phase-space interactions, and negative for configuration space interactions. Our results, particularly the ability of weak measurements to perform at par with strong measurements in some cases, are instructive for the design of weak-measurement-based protocols for quantum metrology.

  15. MOFs by solvent free high temperature synthesis exemplified by ?3[Eu 3(Tz ?) 6(Tz ?H) 2

    NASA Astrophysics Data System (ADS)

    Mller-Buschbaum, Klaus; Mokaddem, Yassin

    2008-04-01

    Solvent free synthesis methods of solid state chemistry can be utilized to synthesize MOFs (metal organic frameworks) and moreover render frameworks accessible that cannot be obtained from classic solvent reactions. Focusing on nitrogen coordinated rare earth compounds amides and nitriles can be successfully obtained from melts of the referring neutral N donor ligands. Exclusion of solvents prevents solvent co-coordination so that Ln-N-MOFs free of oxygen coordination become available. The success of this synthesis strategy is represented by the synthesis of ?3[Eu 3(Tz ?) 6(Tz ?H) 2], Tz ?H = 1 H-1,2,3-triazole, C 2N 3H 3, Tz ?- = 1,2,3-triazolate anion, the first 4f network of the aromatic N-heterocycle 1,2,3-triazole. The compound contains divalent europium and adopts a unique (12,4)-net.

  16. 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.

  17. Social Postural Coordination

    ERIC Educational Resources Information Center

    Varlet, Manuel; Marin, Ludovic; Lagarde, Julien; Bardy, Benoit G.

    2011-01-01

    The goal of the current study was to investigate whether a visual coupling between two people can produce spontaneous interpersonal postural coordination and change their intrapersonal postural coordination involved in the control of stance. We examined the front-to-back head displacements of participants and the angular motion of their hip and

  18. Team coordination dynamics.

    PubMed

    Gorman, Jamie C; Amazeen, Polemnia G; Cooke, Nancy J

    2010-07-01

    Team coordination consists of both the dynamics of team member interaction and the environmental dynamics to which a team is subjected. Focusing on dynamics, an approach is developed that contrasts with traditional aggregate-static concepts of team coordination as characterized by the shared mental model approach. A team coordination order parameter was developed to capture momentary fluctuations in coordination. Team coordination was observed in three-person uninhabited air vehicle teams across two experimental sessions. The dynamics of the order parameter were observed under changes of a team familiarity control parameter. Team members returned for the second session to either the same (Intact) or different (Mixed) team. 'Roadblock' perturbations, or novel changes in the task environment, were introduced in order to probe the stability of team coordination. Nonlinear dynamic methods revealed differences that a traditional approach did not: Intact and Mixed team coordination dynamics looked very different; Mixed teams were more stable than Intact teams and explored the space of solutions without the need for correction. Stability was positively correlated with the number of roadblock perturbations that were overcome successfully. The novel and non-intuitive contribution of a dynamical analysis was that Mixed teams, who did not have a long history working together, were more adaptive. Team coordination dynamics carries new implications for traditional problems such as training adaptive teams. PMID:20587302

  19. Social Postural Coordination

    ERIC Educational Resources Information Center

    Varlet, Manuel; Marin, Ludovic; Lagarde, Julien; Bardy, Benoit G.

    2011-01-01

    The goal of the current study was to investigate whether a visual coupling between two people can produce spontaneous interpersonal postural coordination and change their intrapersonal postural coordination involved in the control of stance. We examined the front-to-back head displacements of participants and the angular motion of their hip and…

  20. IVS Technology Coordinator Report

    NASA Technical Reports Server (NTRS)

    Whitney, Alan

    2013-01-01

    This report of the Technology Coordinator includes the following: 1) continued work to implement the new VLBI2010 system, 2) the 1st International VLBI Technology Workshop, 3) a VLBI Digital- Backend Intercomparison Workshop, 4) DiFX software correlator development for geodetic VLBI, 5) a review of progress towards global VLBI standards, and 6) a welcome to new IVS Technology Coordinator Bill Petrachenko.

  1. Coal liquefaction process with enhanced process solvent

    DOEpatents

    Givens, Edwin N.; Kang, Dohee

    1984-01-01

    In an improved coal liquefaction process, including a critical solvent deashing stage, high value product recovery is improved and enhanced process-derived solvent is provided by recycling second separator underflow in the critical solvent deashing stage to the coal slurry mix, for inclusion in the process solvent pool.

  2. Acid Base Titrations in Nonaqueous Solvents and Solvent Mixtures

    NASA Astrophysics Data System (ADS)

    Barcza, Lajos; Buvri-Barcza, gnes

    2003-07-01

    The acid base determination of different substances by nonaqueous titrations is highly preferred in pharmaceutical analyses since the method is quantitative, exact, and reproducible. The modern interpretation of the reactions in nonaqueous solvents started in the last century, but several inconsistencies and unsolved problems can be found in the literature. The acid base theories of Brnsted Lowry and Lewis as well as the so-called solvent theory are outlined first, then the promoting (and leveling) and the differentiating effects are discussed on the basis of the hydrogen-bond concept. Emphasis is put on the properties of formic acid and acetic anhydride since their importance is increasing.

  3. Dielectric anisotropy in polar solvents under external fields

    NASA Astrophysics Data System (ADS)

    Buyukdagli, Sahin

    2015-08-01

    We investigate dielectric saturation and increment in polar liquids under external fields. We couple a previously introduced dipolar solvent model to a uniform electric field and derive the electrostatic kernel of interacting dipoles. This procedure allows an unambiguous definition of the liquid dielectric permittivity embodying non-linear dielectric response and correlation effects. We find that the presence of the external field results in a dielectric anisotropy characterized by a two-component dielectric permittivity tensor. The increase of the electric field amplifies the permittivity component parallel to the field direction, i.e. dielectric increment is observed along the field. However, the perpendicular component is lowered below the physiological permittivity {{\\varepsilon}w}≈ 77 , indicating dielectric saturation perpendicular to the field. By comparison with Molecular Dynamics simulations from the literature, we show that the mean-field level dielectric response theory underestimates dielectric saturation. The inclusion of dipolar correlations at the weak-coupling level intensify the mean-field level dielectric saturation and improves the agreement with simulation data at weak electric fields. The correlation-corrected theory predicts as well the presence of a metastable configuration corresponding to the antiparallel alignment of dipoles with the field. This prediction can be verified by solvent-explicit simulations where solvent molecules are expected to be trapped transiently in this metastable state.

  4. Method of treating radioactively contaminated solvent waste

    SciTech Connect

    Jablonski, W.; Mallek, H.; Plum, W.

    1981-07-07

    A method of and apparatus for treating radioactively contaminated solvent waste are claimed. The solvent waste is supplied to material such as peat, vermiculite, diaton, etc. This material effects the distribution or dispersion of the solvent and absorbs the foreign substances found in the solvent waste. Air or an inert gas flows through the material in order to pick up the solvent portions which are volatile as a consequence of their vapor pressure. The thus formed gas mixture, which includes air or inert gas and solvent portions, is purified in a known manner by thermal, electrical, or catalytic combustion of the solvent portions.

  5. 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.

  6. 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.

  7. Solvent extraction of lubricating oils

    SciTech Connect

    Sequeira, A. Jr.

    1991-08-20

    This patent describes improvement in a process for solvent refining a hydrocarbon lubricating oil stock containing aromatic and non-aromatic components with an extraction solvent wherein the lubricating oil stock is contacted with the extraction solvent in a solvent extraction zone at an extraction temperature in the range of 100{degrees} F to 250{degrees} F and a solvent oil dosage in the range of 75 to 500 vol % thereby forming an aromatics-rich primary extract and an aromatics-lean primary raffinate. The improvement comprises: separating and cooling the primary extract to a temperature 10{degrees} F to 120{degrees} F below the extraction temperature and admixing with about 0.0 vol % to 10 vol % antisolvent in a separation zone thereby forming two phases consisting of a secondary extract phase richer in aromatics and a secondary raffinate phase leaner in aromatics; separating the secondary raffinate phase and in the absence of hydrogenation passing the secondary raffinate to a fluid catalytic cracking zone at cracking conditions thereby yielding a liquid fuel product.

  8. Solvent dependence of absorption and emission spectra of Ru(bpy)2(CN)2: experiment and explanation based on electronic structure theory.

    PubMed

    Fodor, Lajos; Lendvay, Gyrgy; Horvth, Attila

    2007-12-20

    Measurements in acidic media and time-dependent density functional theory and DeltaSCF calculations were performed for Ru(bpy)2(CN)2 in 11 solvents of varying polarity to determine the solvent's influence on the absorption and emission spectra of the complex. The solvent effect caused by both the polarizable continuum nature of the solvent (characterized by the polarizable conductor model), and by the coordination of the cyano groups of the complex by solvent molecules were investigated. Both the absorption and emission maxima show a strong blue shift as the solute-solvent interaction increases, the magnitude of which is in good linear correlation with Gutmann's acceptor number of the solvent. The calculations reproduce the location, shape, and shift of the experimental metal-to-ligand charge transfer bands. The solvent shift is shown to be in good correlation with the charge difference between the Ru atom and the bpy ligand, which in turn is closely related to the HOMO energy. The coordination of the solvent molecule to the cyano group causes a smaller blue shift than the polarizable continuum solvent. The specific solute-solvent interaction becomes dominant, however, when the pH in a protic solvent is small and the complex is protonated. PMID:18031024

  9. Noncommutativity in weakly curved background by canonical methods

    SciTech Connect

    Davidovic, Lj.; Sazdovic, B.

    2011-03-15

    Using the canonical method, we investigate the Dp-brane world-volume noncommutativity in a weakly curved background. The term 'weakly curved' means that, in the leading order, the source of nonflatness is an infinitesimally small Kalb-Ramond field B{sub {mu}{nu}}, linear in coordinate, while the Ricci tensor does not contribute, being an infinitesimal of the second order. On the solution of boundary conditions, we find a simple expression for the space-time coordinates in terms of the effective coordinates and momenta. This basic relation helped us to prove that noncommutativity appears only on the world sheet boundary. The noncommutativity parameter has a standard form, but with the infinitesimally small and coordinate-dependent antisymmetric tensor B{sub {mu}{nu}}. This result coincides with that obtained on the group manifolds in the limit of the large level n of the current algebra. After quantization, the algebra of the functions on the Dp-brane world volume is represented with the Kontsevich star product instead of the Moyal one in the flat background.

  10. Weakness

    MedlinePLUS

    ... many different body systems, such as the following: METABOLIC Addison disease Hyperparathyroidism Low sodium or potassium Thyrotoxicosis BRAIN/NERVOUS SYSTEM (NEUROLOGIC) Amyotrophic lateral sclerosis (ALS) Bell palsy Cerebral ...

  11. Weak Selection and Protein Evolution

    PubMed Central

    Akashi, Hiroshi; Osada, Naoki; Ohta, Tomoko

    2012-01-01

    The nearly neutral theory of molecular evolution proposes that many features of genomes arise from the interaction of three weak evolutionary forces: mutation, genetic drift, and natural selection acting at its limit of efficacy. Such forces generally have little impact on allele frequencies within populations from generation to generation but can have substantial effects on long-term evolution. The evolutionary dynamics of weakly selected mutations are highly sensitive to population size, and near neutrality was initially proposed as an adjustment to the neutral theory to account for general patterns in available protein and DNA variation data. Here, we review the motivation for the nearly neutral theory, discuss the structure of the model and its predictions, and evaluate current empirical support for interactions among weak evolutionary forces in protein evolution. Near neutrality may be a prevalent mode of evolution across a range of functional categories of mutations and taxa. However, multiple evolutionary mechanisms (including adaptive evolution, linked selection, changes in fitness-effect distributions, and weak selection) can often explain the same patterns of genome variation. Strong parameter sensitivity remains a limitation of the nearly neutral model, and we discuss concave fitness functions as a plausible underlying basis for weak selection. PMID:22964835

  12. Quantum discord with weak measurements

    SciTech Connect

    Singh, Uttam Pati, Arun Kumar

    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.

  13. On weak lensing shape noise

    NASA Astrophysics Data System (ADS)

    Niemi, Sami-Matias; Kitching, Thomas D.; Cropper, Mark

    2015-12-01

    One of the most powerful techniques to study the dark sector of the Universe is weak gravitational lensing. In practice, to infer the reduced shear, weak lensing measures galaxy shapes, which are the consequence of both the intrinsic ellipticity of the sources and of the integrated gravitational lensing effect along the line of sight. Hence, a very large number of galaxies is required in order to average over their individual properties and to isolate the weak lensing cosmic shear signal. If this `shape noise' can be reduced, significant advances in the power of a weak lensing surveys can be expected. This paper describes a general method for extracting the probability distributions of parameters from catalogues of data using Voronoi cells, which has several applications, and has synergies with Bayesian hierarchical modelling approaches. This allows us to construct a probability distribution for the variance of the intrinsic ellipticity as a function of galaxy property using only photometric data, allowing a reduction of shape noise. As a proof of concept the method is applied to the CFHTLenS survey data. We use this approach to investigate trends of galaxy properties in the data and apply this to the case of weak lensing power spectra.

  14. Solvent-regenerated activated carbon

    SciTech Connect

    McLaughlin, H. )

    1988-07-01

    This report summarizes the results of a University/Industry research project, sponsored by the New York State Energy Research and Development Authority and Fluids Design Corporation. The research project studied the solvent regeneration of activated carbon. Activate carbon was used to remove trace organics from aqueous streams, then regenerated by desorbing the adsorbates with organic solvents. The project included a survey of the potential applications in New York State industries, fundamental research on the adsorption/desorption phenomena, and design of a full-scale process. The economics of the full-scale process were evaluated and compared to alternate available technologies. The result of this work is a versatile process with attractive economics. A wide range of adsorbates and solvents were found to be acceptable for this process. The design methodologies are developed and the techniques for evaluating a new application are delineated. 13 refs., 12 figs., 4 tabs.

  15. Solvent reorganization of electron transitions in viscous solvents

    SciTech Connect

    Ghorai, Pradip K.; Matyushov, Dmitry V.

    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.

  16. Weak values in continuous weak measurements of qubits

    NASA Astrophysics Data System (ADS)

    Qin, Lupei; Liang, Pengfei; Li, Xin-Qi

    2015-07-01

    For continuous weak measurements of qubits, we obtain exact expressions for weak values (WVs) from the postselection restricted average of measurement outputs, by using both the quantum-trajectory equation (QTE) and the quantum Bayesian approach. The former is applicable to short-time weak measurement, while the latter can relax the measurement strength to finite. We find that even in the "very" weak limit the result can be essentially different from the one originally proposed by Aharonov, Albert, and Vaidman (AAV), in the sense that our result incorporates nonperturbative correction which could be important when the AAV WV is large. Within the Bayesian framework, we obtain also elegant expressions for finite measurement strength and find that the amplifier's noise in quantum measurement has no effect on the WVs. In particular, we obtain very useful results for homodyne measurement in a circuit-QED system, which allows for measuring the real and imaginary parts of the AAV WV by simply tuning the phase of the local oscillator. This advantage can be exploited as an efficient state-tomography technique.

  17. Exxon donor solvent liquefaction process

    NASA Astrophysics Data System (ADS)

    Neavel, R. C.

    1981-03-01

    The Exxon donor solvent (EDS) coal liquefaction system is a direct liquefaction procedure. Coal is chemically reacted and dissolved in a recycle solvent that is hydrogenated between passes to the liquefaction reactor. More than 2.6 barrels of a synthetic crude boiling below 1000 F are produced per ton of dry, high volatile coal feed. Other ranks of coal can be effectively liquefied. The process development has proceeded to a 250 ton/day pilot plant stage that went into operation in June 1980. The presentation addresses the chemical reactions and process conditions that result in ease of operability and flexibility of the EDS process.

  18. Automated Solvent Seaming of Large Polyimide Membranes

    NASA Technical Reports Server (NTRS)

    Rood, Robert; Moore, James D.; Talley, Chris; Gierow, Paul A.

    2006-01-01

    A solvent-based welding process enables the joining of precise, cast polyimide membranes at their edges to form larger precise membranes. The process creates a homogeneous, optical-quality seam between abutting membranes, with no overlap and with only a very localized area of figure disturbance. The seam retains 90 percent of the strength of the parent material. The process was developed for original use in the fabrication of wide-aperture membrane optics, with areal densities of less than 1 kg/m2, for lightweight telescopes, solar concentrators, antennas, and the like to be deployed in outer space. The process is just as well applicable to the fabrication of large precise polyimide membranes for flat or inflatable solar concentrators and antenna reflectors for terrestrial applications. The process is applicable to cast membranes made of CP1 (or equivalent) polyimide. The process begins with the precise fitting together and fixturing of two membrane segments. The seam is formed by applying a metered amount of a doped solution of the same polyimide along the abutting edges of the membrane segments. After the solution has been applied, the fixtured films are allowed to dry and are then cured by convective heating. The weld material is the same as the parent material, so that what is formed is a homogeneous, strong joint that is almost indistinguishable from the parent material. The success of the process is highly dependent on formulation of the seaming solution from the correct proportion of the polyimide in a suitable solvent. In addition, the formation of reliable seams depends on the deposition of a precise amount of the seaming solution along the seam line. To ensure the required precision, deposition is performed by use of an automated apparatus comprising a modified commercially available, large-format, ink-jet print head on an automated positioning table. The printing head jets the seaming solution into the seam area at a rate controlled in coordination with the movement of the positioning table.

  19. Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent Models.

    PubMed

    Cerezo, Javier; Avila Ferrer, Francisco J; Prampolini, Giacomo; Santoro, Fabrizio

    2015-12-01

    We present a protocol to estimate the solvent-induced broadening of electronic spectra based on a model that explicitly takes into account the environment embedding the solute. Starting from a classical approximation of the solvent contribution to the spectrum, the broadening arises from the spread of the excitation energies due to the fluctuation of the solvent coordinates, and it is represented as a Gaussian line shape that convolutes the vibronic spectrum of the solute. The latter is computed in harmonic approximation at room temperature with a time-dependent approach. The proposed protocol for the computation of spectral broadening exploits molecular dynamics (MD) simulations performed on the solute-solvent system, keeping the solute degrees of freedom frozen, followed by the computation of the excitation properties with a quantum mechanics/molecular mechanics (QM/MM) approach. The factors that might influence each step of the protocol are analyzed in detail, including the selection of the empirical force field (FF) adopted in the MD simulations and the QM/MM partition of the system to compute the excitation energies. The procedure is applied to a family of coumarin dyes, and the results are compared with experiments and with the predictions of a very recent work (Cerezo et al., Phys. Chem. Chem. Phys. 2015, 17, 11401-11411), where an implicit model was adopted for the solvent. The final spectra of the considered coumarins were obtained without including ad hoc phenomenological parameters and indicate that the broadenings computed with explicit and implicit models both follow the experimental trend, increasing as the polarity change from the initial to the final state increases. More in detail, the implicit model provides larger estimations of the broadening that are closer to the experimental evidence, while explicit models appear to better capture relative differences arising from different solvents or different solutes. Possible inaccuracies of the adopted FF that may lead to the observed underestimation are analyzed in detail. PMID:26605552

  20. Compass Coordinate System

    NASA Astrophysics Data System (ADS)

    Wei, Ziqing; Liu, Guangming; Wu, Fumei

    2013-04-01

    This presentation addresses the definition and realization of the Compass Coordinate System, which is utilized by the BeiDou/Compass satellite navigation system. The definition follows the criteria described by the IERS Technical Note No.21. The reference ellipsoid used is the GRS80 ellipsoid except that the IERS recommended value of 3986004.418´108m3s-2 is adopted for the Earth's gravitational constant. The realization has been done in such a way that the system is closely aligned to the ITRF 2008. The relationship between the Compass Coordinate System and the China Geodetic Coordinate System 2000 (CGCS 2000) is also outlined in the presentation.

  1. Solvent-Dependent Pyranopterin Cyclization in Molybdenum Cofactor Model Complexes.

    PubMed

    Williams, Benjamin R; Gisewhite, Douglas; Kalinsky, Anna; Esmail, Alisha; Burgmayer, Sharon J Nieter

    2015-09-01

    The conserved pterin dithiolene ligand that coordinates molybdenum (Mo) in the cofactor (Moco) of mononuclear Mo enzymes can exist in both a tricyclic pyranopterin dithiolene form and as a bicyclic pterin-dithiolene form as observed in protein crystal structures of several bacterial molybdoenzymes. Interconversion between the tricyclic and bicyclic forms via pyran scission and cyclization has been hypothesized to play a role in the catalytic mechanism of Moco. Therefore, understanding the interconversion between the tricyclic and bicyclic forms, a type of ring-chain tautomerism, is an important aspect of study to understand its role in catalysis. In this study, equilibrium constants (K(eq)) as well as enthalpy, entropy, and free energy values are obtained for pyran ring tautomerism exhibited by two Moco model complexes, namely, (Et4N)[Tp*Mo(O)(S2BMOPP)] (1) and (Et4N)[Tp*Mo(O)(S2PEOPP)] (2), as a solvent-dependent equilibrium process. Keq values obtained from (1)H NMR data in seven deuterated solvents show a correlation between solvent polarity and tautomer form, where solvents with higher polarity parameters favor the pyran form. PMID:25942001

  2. Theory of complicated liquids. Investigation of liquids, solvents and solvent effects with modern theoretical methods

    NASA Astrophysics Data System (ADS)

    Kirchner, Barbara

    2007-03-01

    It is the aim of this work to elucidate the usefulness and feasibility of the first-principles approach and to extend it to the regime of liquid molecular substances of complex structure. Physical and thermodynamic properties of complicated liquids are investigated by means of Car-Parrinello molecular dynamics (CPMD) and also with static quantum chemical methods. The connection between the dynamic and static approach is given by the quantum cluster equilibrium (QCE) theory. Since the QCE theory is not yet well established, a new implementation in the MD post-processing program P EACEMAKER is presented. It can be shown that it is by far more important to include cooperative effects rather than to concentrate the effort on the inclusion of weak dispersion forces not present in current density functionals. Traditionally, investigations of complicated liquids were also undertaken with the tools of simple liquids, because for some problems the size of the system does not allow for a more accurate description. Although linear-scaling techniques are simplifications from the point of view of quantum chemistry, they might be severe improvements when compared to traditional molecular dynamics simulations. For the interpretation of the liquid state the introduction of local properties is inevitable. New methods are presented for the calculation of local dipole moments and for the estimation of hydrogen bond energies in quantum mechanically nondecomposable systems. The latter also allows for the detection of hydrogen bonds in simulations through a wavefunction-based criterion instead of one which is solely grounded on the geometric structure of the atomic nuclei involved. The article then discusses prominent liquids which show properties that are not yet understood. Another part of the work analyzes the effect of solvent molecules on solutes and their reactions in the solvent. Finaly, neoteric solvents, such as ionic liquids are discussed.

  3. 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.

  4. Cosmology and the weak interaction

    SciTech Connect

    Schramm, D.N. ):)

    1989-12-01

    The weak interaction plays a critical role in modern Big Bang cosmology. This review will emphasize two of its most publicized cosmological connections: Big Bang nucleosynthesis and Dark Matter. The first of these is connected to the cosmological prediction of Neutrino Flavours, N{sub {nu}} {approximately} 3 which is now being confirmed at SLC and LEP. The second is interrelated to the whole problem of galaxy and structure formation in the universe. This review will demonstrate the role of the weak interaction both for dark matter candidates and for the problem of generating seeds to form structure. 87 refs., 3 figs., 5 tabs.

  5. 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.

  6. Weakly-bridged dimeric diorganotin(IV) compounds derived from pyruvic acid hydrazone Schiff base ligands: Synthesis, characterization and crystal structures

    NASA Astrophysics Data System (ADS)

    Hong, Min; Yin, Han-Dong; Cui, Ji-Chun

    2011-03-01

    We report the synthesis of four diorganotin(IV) compounds of Schiff base pyruvic acid hydrazone derivatives formulated as [R 2SnLY] 2, where L 1 is 2-SC 4H 3CON 2C(CH 3)CO 2 with Y = CH 3CH 2CH 2CH 2OH, R = n-Bu ( 1); L 2 is C 6H 5CON 2C(CH 3)CO 2 with Y = CH 3CH 2OH, R = p-F-Bz ( 2); L 3 is 2-HOC 6H 4CON 2C(CH 3)CO 2 with Y dbnd H 2O, R = p-CN -Bz ( 3); and L 4 is 4-NO 2-C 6H 4CON 2C(CH 3)CO 2 with Y dbnd CH 3CH 2OH, R = Bz ( 4). The structures of all compounds have been established by a combination of single-crystal X-ray diffraction analysis, 1H and 119Sn NMR spectroscopy, IR spectroscopy, and elemental analysis. Studies reveal that four ligands present the same coordination mode with tin center, which all present tridentate ONO donor Schiff bases and coordinate to the tin center in an enolic form. In compounds 1- 4, each tin atom is seven-coordinated and exhibits a distorted pentagonal bipyramid with a planar SnO 4N unit and two apical alkyl carbon atoms, thus forming a weakly-bridged dimeric molecule. Additionally, the distance of Sn⋯O bridge in each compound is obviously affected by the choice of different alkyl groups and coordination solvent molecules, which fluctuates in the range of 2.571(5)-2.839(4) . Furthermore, the supramolecular structure analysis show that there are two types of supramolecular infrastructures, 1D chain or 2D network, which are formed by intermolecular O-HN or C-H⋯X (X = O, N or F) hydrogen bonds.

  7. A carbohydrate-anion recognition system in aprotic solvents.

    PubMed

    Ren, Bo; Dong, Hai; Ramström, Olof

    2014-05-01

    A carbohydrate-anion recognition system in nonpolar solvents is reported, in which complexes form at the B-faces of β-D-pyranosides with H1-, H3-, and H5-cis patterns similar to carbohydrate-π interactions. The complexation effect was evaluated for a range of carbohydrate structures; it resulted in either 1:1 carbohydrate-anion complexes, or 1:2 complex formation depending on the protection pattern of the carbohydrate. The interaction was also evaluated with different anions and solvents. In both cases it resulted in significant binding differences. The results indicate that complexation originates from van der Waals interactions or weak CH⋅⋅⋅A(-) hydrogen bonds between the binding partners and is related to electron-withdrawing groups of the carbohydrates as well as increased hydrogen-bond-accepting capability of the anions. PMID:24616327

  8. A CarbohydrateAnion Recognition System in Aprotic Solvents

    PubMed Central

    Ren, Bo; Dong, Hai; Ramstrm, Olof

    2014-01-01

    A carbohydrateanion recognition system in nonpolar solvents is reported, in which complexes form at the B-faces of ?-d-pyranosides with H1-, H3-, and H5-cis patterns similar to carbohydrate? interactions. The complexation effect was evaluated for a range of carbohydrate structures; it resulted in either 1:1 carbohydrateanion complexes, or 1:2 complex formation depending on the protection pattern of the carbohydrate. The interaction was also evaluated with different anions and solvents. In both cases it resulted in significant binding differences. The results indicate that complexation originates from van der Waals interactions or weak CH???A? hydrogen bonds between the binding partners and is related to electron-withdrawing groups of the carbohydrates as well as increased hydrogen-bond-accepting capability of the anions. PMID:24616327

  9. Phase behavior and second osmotic virial coefficient for competitive polymer solvation in mixed solvent solutions.

    PubMed

    Dudowicz, Jacek; Freed, Karl F; Douglas, Jack F

    2015-11-21

    We apply our recently developed generalized Flory-Huggins (FH) type theory for the competitive solvation of polymers by two mixed solvents to explain general trends in the variation of phase boundaries and solvent quality (quantified by the second osmotic virial coefficient B2) with solvent composition. The complexity of the theoretically predicted miscibility patterns for these ternary mixtures arises from the competitive association between the polymer and the solvents and from the interplay of these associative interactions with the weak van der Waals interactions between all components of the mixture. The main focus here lies in determining the influence of the free energy parameters for polymer-solvent association (solvation) and the effective FH interaction parameters {???} (driving phase separation) on the phase boundaries (specifically the spinodals), the second osmotic virial coefficient B2, and the relation between the positions of the spinodal curves and the theta temperatures at which B2 vanishes. Our classification of the predicted miscibility patterns is relevant to numerous applications of ternary polymer solutions in industrial formulations and the use of mixed solvent systems for polymer characterization, such as chromatographic separation where mixed solvents are commonly employed. A favorable comparison of B2 with experimental data for poly(methyl methacrylate)/acetonitrile/methanol (or 1-propanol) solutions only partially supports the validity of our theoretical predictions due to the lack of enough experimental data and the neglect of the self and mutual association of the solvents. PMID:26590552

  10. Phase behavior and second osmotic virial coefficient for competitive polymer solvation in mixed solvent solutions

    NASA Astrophysics Data System (ADS)

    Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.

    2015-11-01

    We apply our recently developed generalized Flory-Huggins (FH) type theory for the competitive solvation of polymers by two mixed solvents to explain general trends in the variation of phase boundaries and solvent quality (quantified by the second osmotic virial coefficient B 2 ) with solvent composition. The complexity of the theoretically predicted miscibility patterns for these ternary mixtures arises from the competitive association between the polymer and the solvents and from the interplay of these associative interactions with the weak van der Waals interactions between all components of the mixture. The main focus here lies in determining the influence of the free energy parameters for polymer-solvent association (solvation) and the effective FH interaction parameters {???} (driving phase separation) on the phase boundaries (specifically the spinodals), the second osmotic virial coefficient B 2 , and the relation between the positions of the spinodal curves and the theta temperatures at which B 2 vanishes. Our classification of the predicted miscibility patterns is relevant to numerous applications of ternary polymer solutions in industrial formulations and the use of mixed solvent systems for polymer characterization, such as chromatographic separation where mixed solvents are commonly employed. A favorable comparison of B 2 with experimental data for poly(methyl methacrylate)/acetonitrile/methanol (or 1-propanol) solutions only partially supports the validity of our theoretical predictions due to the lack of enough experimental data and the neglect of the self and mutual association of the solvents.

  11. A flexible polymer chain in a critical solvent: Coil or globule?

    NASA Astrophysics Data System (ADS)

    Budkov, Yu. A.; Kolesnikov, A. L.; Georgi, N.; Kiselev, M. G.

    2015-02-01

    We study the behavior of a flexible polymer chain in the presence of a low-molecular weight solvent in the vicinity of a liquid-gas critical point within the framework of a self-consistent field theory. The total free energy of the dilute polymer solution is expressed as a function of the radius of gyration of the polymer and the average solvent number density within the gyration volume at the level of the mean-field approximation. Varying the strength of attraction between polymer and solvent we show that two qualitatively different regimes occur at the liquid-gas critical point. In case of weak polymer-solvent interactions the polymer chain is in a globular state. On the contrary, in case of strong polymer-solvent interactions the polymer chain attains an expanded conformation. We discuss the influence of the critical solvent density fluctuations on the polymer conformation. The reported effect could be used to excert control on the polymer conformation by changing the thermodynamic state of the solvent. It could also be helpful to estimate the solvent density within the gyration volume of the polymer for drug delivery and molecular imprinting applications.

  12. Theoretical study of chlorophyll a hydrates formation in aqueous organic solvents.

    PubMed

    Ben Fredj, Arij; Ruiz-Lpez, Manuel F

    2010-01-14

    A theoretical analysis of chlorophyll a (Chla) hydration processes in aqueous organic solvents has been carried out by means of quantum chemistry calculations. A detailed knowledge of the thermodynamics of these processes is fundamental in order to better understand the organization of chlorophyll molecules in vivo, specifically the structure of chlorophyll pairs in photosystems I and II. In the present work, we assumed a Chla model in which the phytyl chain is replaced by a methyl group. Calculations were performed at the B3LYP/6-31G(d) level corrected for basis set superposition errors and dispersion interaction energy. This computational scheme was previously shown to provide data close to MP2/6-311++(2d,2p) results. Solvents effects were taken into account using either continuum (for nonpolar solvents) or discrete-continuum (for polar coordinating solvents) methods. In the latter case, we first examined the structure of Chla in rigorously dry solutions. Two types of solvents were characterized according to Mg-atom coordination: In type I solvents (acetone, acetonitrile, DMSO), Mg exhibits five-coordination, whereas in type II solvents (THF, pyridine), Mg exhibits six-coordination. Hydration processes are quite dependent on solvent nature. In nonpolar or low-polarity solvents such as cyclohexane or chloroform, hydration is always exothermic and exergonic, despite a large entropy term that strongly opposes hydration. In polar solvents of type II, hydration is quite unfavorable, and essentially no hydrates are expected in these media, except perhaps at very large water concentrations (although, in such a case, the medium cannot be simply described as an organic solvent). In polar solvents of type I, the situation is intermediate, and dihydration is favorable in some cases (acetone, acetonitrile) and unfavorable in others (DMSO). It is interesting to note that first hydration processes in coordinating solvents (of either type I or type II), where a water molecule must displace a solvent molecule coordinated to Mg, exhibit values of DeltaH > 0 and DeltaS > 0, in sharp contrast to first hydration processes in nonpolar media. The present results represent the first theoretical attempt to rationalize the large amount of experimental data on hydration and aggregation of Chla in aqueous organic media that have been accumulated over the past four decades. The data stress, in particular, the key role of Chla dihydrates, a point that has been the object of intense debate in the literature. Clearly, dihydrates are found to be more stable than monohydrates owing to a particular structure in which cooperative interactions occur between the water molecules and Chla. The calculations also explain the irregular behavior observed for Chla in aqueous THF or pyridine: In these media, Chla remains basically unhydrated because the Chla-solvent adducts are stabilized by strong dispersion interactions. PMID:20020703

  13. Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?

    PubMed

    Clark, Timothy; Murray, Jane S; Lane, Pat; Politzer, Peter

    2008-08-01

    We have carried out B3PW91 and MP2-FC computational studies of dimethyl sulfoxide, (CH(3))(2)SO, and dimethyl sulfone, (CH(3))(2)SO(2). The objective was to establish quantitatively the basis for their high polarities and boiling points, and their strong solvent powers for a variety of solutes. Natural bond order analyses show that the sulfur-oxygen linkages are not double bonds, as widely believed, but rather are coordinate covalent single S(+)-->O(-) bonds. The calculated electrostatic potentials on the molecular surfaces reveal several strongly positive and negative sites (the former including sigma-holes on the sulfurs) through which a variety of simultaneous intermolecular electrostatic interactions can occur. A series of examples is given. In terms of these features the striking properties of dimethyl sulfoxide and dimethyl sulfone, their large dipole moments and dielectric constants, their high boiling points and why they are such good solvents, can readily be understood. PMID:18458968

  14. Nuclear spin hyperpolarization of the solvent using signal amplification by reversible exchange (SABRE)

    NASA Astrophysics Data System (ADS)

    Moreno, Karlos X.; Nasr, Khaled; Milne, Mark; Sherry, A. Dean; Goux, Warren J.

    2015-08-01

    Here we report the polarization of the solvent OH protons by SABRE using standard iridium-based catalysts under slightly acidic conditions. Solvent polarization was observed in the presence of a variety of structurally similar N-donor substrates while no solvent enhancement was observed in the absence of substrate or para-hydrogen (p-H2). Solvent polarization was sensitive to the polarizing field and catalyst:substrate ratio in a manner similar to that of substrate protons. SABRE experiments with pyridine-d5 suggest a mechanism where hyperpolarization is transferred from the free substrate to the solvent by chemical exchange while measured hyperpolarization decay times suggest a complimentary mechanism which occurs by direct coordination of the solvent to the catalytic complex. We found the solvent hyperpolarization to decay nearly 3 times more slowly than its characteristic spin-lattice relaxation time suggesting that the hyperpolarized state of the solvent may be sufficiently long lived (?20 s) to hyperpolarize biomolecules having exchangeable protons. This route may offer future opportunities for SABRE to impact metabolic imaging.

  15. Developmental coordination disorder

    MedlinePLUS

    Physical education and perceptual motor training (combining movement with tasks that require thinking, like math or reading) are the best ways to treat coordination disorder. Using a computer to ... Encouraging physical activity is important to prevent obesity.

  16. Understanding social motor coordination.

    PubMed

    Schmidt, R C; Fitzpatrick, Paula; Caron, Robert; Mergeche, Joanna

    2011-10-01

    Recently there has been much interest in social coordination of motor movements, or as it is referred to by some researchers, joint action. This paper reviews the cognitive perspective's common coding/mirror neuron theory of joint action, describes some of its limitations and then presents the behavioral dynamics perspective as an alternative way of understanding social motor coordination. In particular, behavioral dynamics' ability to explain the temporal coordination of interacting individuals is detailed. Two experiments are then described that demonstrate how dynamical processes of synchronization are apparent in the coordination underlying everyday joint actions such as martial art exercises, hand-clapping games, and conversations. The import of this evidence is that emergent dynamic patterns such as synchronization are the behavioral order that any neural substrate supporting joint action (e.g., mirror systems) would have to sustain. PMID:20817320

  17. Organic Solvent Effects in Biomass Conversion Reactions.

    PubMed

    Shuai, Li; Luterbacher, Jeremy

    2016-01-01

    Transforming lignocellulosic biomass into fuels and chemicals has been intensely studied in recent years. A large amount of work has been dedicated to finding suitable solvent systems, which can improve the transformation of biomass into value-added chemicals. These efforts have been undertaken based on numerous research results that have shown that organic solvents can improve both conversion and selectivity of biomass to platform molecules. We present an overview of these organic solvent effects, which are harnessed in biomass conversion processes, including conversion of biomass to sugars, conversion of sugars to furanic compounds, and production of lignin monomers. A special emphasis is placed on comparing the solvent effects on conversion and product selectivity in water with those in organic solvents while discussing the origins of the differences that arise. We have categorized results as benefiting from two major types of effects: solvent effects on solubility of biomass components including cellulose and lignin and solvent effects on chemical thermodynamics including those affecting reactants, intermediates, products, and/or catalysts. Finally, the challenges of using organic solvents in industrial processes are discussed from the perspective of solvent cost, solvent stability, and solvent safety. We suggest that a holistic view of solvent effects, the mechanistic elucidation of these effects, and the careful consideration of the challenges associated with solvent use could assist researchers in choosing and designing improved solvent systems for targeted biomass conversion processes. PMID:26676907

  18. Organic solvent desorption from two tegafur polymorphs.

    PubMed

    Bobrovs, Raitis; Acti?, Andris

    2013-11-30

    Desorption behavior of 8 different solvents from ? and ? tegafur (5-fluoro-1-(tetrahydro-2-furyl)uracil) has been studied in this work. Solvent desorption from samples stored at 95% and 50% relative solvent vapor pressure was studied in isothermal conditions at 30 C. The results of this study demonstrated that: solvent desorption rate did not differ significantly for both phases; solvent desorption in all cases occurred faster from samples with the largest particle size; and solvent desorption in most cases occurred in two steps. Structure differences and their surface properties were not of great importance on the solvent desorption rates because the main factor affecting desorption rate was sample particle size and sample morphology. Inspection of the structure packing showed that solvent desorption rate and amount of solvent adsorbed were mainly affected by surface molecule arrangement and ability to form short contacts between solvent molecule electron donor groups and freely accessible tegafur tetrahydrofuran group hydrogens, as well as between solvents molecule proton donor groups and fluorouracil ring carbonyl and fluoro groups. Solvent desorption rates of acetone, acetonitrile, ethyl acetate and tetrahydrofuran multilayers from ? and ? tegafur were approximately 30 times higher than those of solvent monolayers. Scanning electron micrographs showed that sample storage in solvent vapor atmosphere promotes small tegafur particles recrystallization to larger particles. PMID:24060368

  19. Color-weak compensation using local affine isometry based on discrimination threshold matching.

    PubMed

    Mochizuki, Rika; Kojima, Takanori; Lenz, Reiner; Chao, Jinhui

    2015-11-01

    We develop algorithms for color-weak compensation and color-weak simulation based on Riemannian geometry models of color spaces. The objective function introduced measures the match of color discrimination thresholds of average normal observers and a color-weak observer. The developed matching process makes use of local affine maps between color spaces of color-normal and color-weak observers. The method can be used to generate displays of images that provide color-normal and color-weak observers with a similar color difference experience. It can also be used to simulate the perception of a color-weak observer for color-normal observers. We also introduce a new database of measurements of color discrimination threshold data for color-normal and color-weak observers obtained at different lightness levels in CIELUV space. The compensation methods include compensations of chromaticity using local affine maps between chromaticity planes of color-normal and color-weak observers, and one-dimensional (1D) compensation on lightness. We describe how to determine correspondences between the origins of local coordinates in color spaces of color-normal and color-weak observers using a neighborhood expansion method. After matching the origins of the two coordinate systems, a local affine map is estimated by solving a nonlinear equation, or singular-value-decomposition (SVD). We apply the methods to natural images and evaluate their performance using the semantic differential (SD) method. PMID:26560924

  20. Luminescent lanthanide coordination polymers

    SciTech Connect

    Ma, L.; Evans, O.R.; Foxman, B.M.; Lin, W.

    1999-12-13

    One-dimensional lanthanide coordination polymers with the formula Ln(isonicotinate){sub 3}(H{sub 2}O){sub 2} (Ln = Ce, Pr, Nd, Sm, Eu, Tb; 1a-f) were synthesized by treating nitrate or perchlorate salts of Ln(III) with 4-pyridinecarboxaldehyde under hydro(solvo)thermal conditions. Single-crystal and powder X-ray diffraction studies indicate that these lanthanide coordination polymers adopt two different structures. While Ce(III), Pr(III), and Nd(III) complexes adopt a chain structure with alternating Ln-(carboxylate){sub 2}-Ln and Ln-(carboxylate){sub 4}-Ln linkages, Sm(III), Eu(III), and Tb(III) complexes have a doubly carboxylate-bridged infinite-chain structure with one chelating carboxylate group on each metal center. In both structures, the lanthanide centers also bind to two water molecules to yield an eight-coordinate, square antiprismatic geometry. The pyridine nitrogen atoms of the isonicotinate groups do not coordinate to the metal centers in these lanthanide(III) complexes; instead, they direct the formation of Ln(III) coordination polymers via hydrogen bonding with coordinated water molecules. Photoluminescence measurements show that Tb(isonicotinate){sub 3}(H{sub 2}O){sub 2} is highly emissive at room temperature with a quantum yield of {approximately}90%. These results indicate that highly luminescent lanthanide coordination polymers can be assembled using a combination of coordination and hydrogen bonds. Crystal data for 1a: monoclinic space group P2{sub 1}/c, a = 9.712(2) {angstrom}, b = 19.833(4) {angstrom}, c = 11.616(2) {angstrom}, {beta} = 111.89(3){degree}, Z = 4. Crystal data for 1f: monoclinic space group C2/c, a = 20.253(4) {angstrom}, b = 11.584(2) {angstrom}, c = 9.839(2) {angstrom}, {beta} = 115.64(3){degree}, Z = 8.

  1. 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...

  2. Improved Purex solvent scrubbing methods

    SciTech Connect

    Mailen, J.C.; Tallent, O.K.

    1984-01-01

    Studies of hydrazine and hydroxylamine salts as solvent scrubbing agents that can be decomposed into gases are summarized. Results from testing of countercurrent scrubbers and solid sorber columns that produce lesser amounts of permanent salts are reported. The status of studies of the acid-degradation of paraffin diluent and the options for removal of long-chain organic acids is given.

  3. On Weak-BCC-Algebras

    PubMed Central

    Thomys, Janus; Zhang, Xiaohong

    2013-01-01

    We describe weak-BCC-algebras (also called BZ-algebras) in which the condition (x?y)?z = (x?z)?y is satisfied only in the case when elements x, y belong to the same branch. We also characterize ideals, nilradicals, and nilpotent elements of such algebras. PMID:24311983

  4. 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

  5. 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

  6. N-{Delta} weak transition

    SciTech Connect

    Graczyk, Krzysztof M.

    2011-11-23

    A short review of the Rein-Sehgal and isobar models is presented. The attention is focused on the nucleon-{Delta}(1232) weak transition form-factors. The results of the recent re-analyses of the ANL and BNL bubble chamber neutrino-deuteron scattering data are discussed.

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

    SciTech Connect

    Lock, Edward A.; Zhang, Jing; Checkoway, Harvey

    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.

  8. Micro practices of coordination based on complex adaptive systems: user needs and strategies for coordinating public health in Denmark

    PubMed Central

    Wittrup, Inge; Burau, Viola

    2015-01-01

    Introduction Many highly formalised approaches to coordination poorly fit public health and recent studies call for coordination based on complex adaptive systems. Our contribution is two-fold. Empirically, we focus on public health, and theoretically we build on the patient perspective and treat coordination as a process of contingent, two-level negotiations of user needs. Theory and Methods The paper draws on the concept of user needs-based coordination and sees coordination as a process, whereby needs emerging from the life world of the user are made amenable to the health system through negotiations. The analysis is based on an explorative case study of a health promotion initiative in Denmark. It adopts an anthropological qualitative approach and uses a range of qualitative data. Results The analysis identifies four strategies of coordination: the coordinator focusing on the individual user or on relations with other professionals; and the manager coaching the coordinator or providing structural support. Crucially, the coordination strategies by management remain weak as they do not directly relate to specific user needs. Discussion In process of bottom-up negotiations user needs become blurred and this is especially a challenge for management. The study therefore calls for an increased focus on the level nature of negotiations to bridge the gap that currently weakens coordination strategies by management. PMID:26528097

  9. 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.

  10. Structure modulation of manganese coordination polymers consisting of 1,4-naphthalene dicarboxylate and 1,10-phenanthroline.

    PubMed

    Lou, Yongbing; Wang, Jingjing; Tao, Yinhua; Chen, Jinxi; Mishima, Akio; Ohba, Masaaki

    2014-06-14

    Three new manganese coordination polymers, {[Mn2(1,4-NDC)2(phen)2](H2O)}n (1), [Mn2(1,4-NDC)2(phen)(H2O)]n (2) and {[Mn4(1,4-NDC)4(phen)4](DMF)2}n (3) (1,4-H2NDC = 1,4-naphthalene dicarboxylic acid; phen = 1,10-phenanthroline; DMF = N,N-dimethylformamide), have been synthesized solvo/hydrothermally. 1,4-NDC(2-) ligands adopt different coordination modes under different solvents and concentrations which promotes different crystal structure formation. X-ray crystal structural data reveal that compounds 1, 2 and 3 crystallize in monoclinic space groups C2/c, P21/c and C2/c, respectively. Compound 1 has Mn2 dimers connected by 1,4-NDC(2-) linkers, packing into a 2D structure in a grid pattern. Compound 2 has a three-dimensional (3D) structure which is constructed by Mn2 dimers and 1,4-NDC(2-) linkers. Each MnO4N2 node of compound 3 is linked to another by 1,4-NDC(2-) ligands to form a two-dimensional (2D) structure. Variable-temperature magnetic susceptibilities of compounds 1-3 exhibit overall weak antiferromagnetic coupling between the adjacent Mn(II) ions. PMID:24756312

  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; Pflger, 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. Weak values and weak coupling maximizing the output of weak measurements

    SciTech Connect

    Di Lorenzo, Antonio

    2014-06-15

    In a weak measurement, the average output ?o? of a probe that measures an observable A{sup -hat} of a quantum system undergoing both a preparation in a state ?{sub i} and a postselection in a state E{sub f} is, to a good approximation, a function of the weak value A{sub w}=Tr[E{sub f}A{sup -hat} ?{sub i}]/Tr[E{sub f}?{sub i}], a complex number. For a fixed coupling ?, when the overlap Tr[E{sub f}?{sub i}] is very small, A{sub w} diverges, but ?o? stays finite, often tending to zero for symmetry reasons. This paper answers the questions: what is the weak value that maximizes the output for a fixed coupling? What is the coupling that maximizes the output for a fixed weak value? We derive equations for the optimal values of A{sub w} and ?, and provide the solutions. The results are independent of the dimensionality of the system, and they apply to a probe having a Hilbert space of arbitrary dimension. Using the SchrdingerRobertson uncertainty relation, we demonstrate that, in an important case, the amplification ?o? cannot exceed the initial uncertainty ?{sub o} in the observable o{sup -hat}, we provide an upper limit for the more general case, and a strategy to obtain ?o???{sub o}. - Highlights: We have provided a general framework to find the extremal values of a weak measurement. We have derived the location of the extremal values in terms of preparation and postselection. We have devised a maximization strategy going beyond the limit of the SchrdingerRobertson relation.

  13. The weak scale from BBN

    NASA Astrophysics Data System (ADS)

    Hall, Lawrence J.; Pinner, David; Ruderman, Joshua T.

    2014-12-01

    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, 5), 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.

  14. Tomography and weak lensing statistics

    SciTech Connect

    Munshi, Dipak; Coles, Peter; Kilbinger, Martin E-mail: peter.coles@astro.cf.ac.uk

    2014-04-01

    We provide generic predictions for the lower order cumulants of weak lensing maps, and their correlators for tomographic bins as well as in three dimensions (3D). Using small-angle approximation, we derive the corresponding one- and two-point probability distribution function for the tomographic maps from different bins and for 3D convergence maps. The modelling of weak lensing statistics is obtained by adopting a detailed prescription for the underlying density contrast that involves hierarchal ansatz and lognormal distribution. We study the dependence of our results on cosmological parameters and source distributions corresponding to the realistic surveys such as LSST and DES. We briefly outline how photometric redshift information can be incorporated in our results. We also show how topological properties of convergence maps can be quantified using our results.

  15. Wash solvent reuse in paint production

    SciTech Connect

    Parsons, A.B.; Heater, K.J.; Olfenbuttel, R.F.

    1994-04-01

    The project evaluated solvent used to clean paint manufacture equipment for its utility in production of subsequent batches of solvent-borne paint. Reusing wash solvent would reduce the amount of solvent disposed of as waste. The evaluation of this wash-solvent recovery technology was conducted by Battelle Memorial Institute for the Pollution Prevention Research Branch of the U.S. Environmental Protection Agency. The evaluation was conducted with the cooperation and assistance of Vanex Color, Inc. The product quality, waste reduction/pollution prevention, and economic impacts of this technology change, as it has been implemented by Vanex, were examined. Two batches of a solvent-borne alkyd house paint were prepared at Vanex--one batch made with 100%-new solvent and the other with 30%-wash solvent--and sampled for laboratory analysis at Battelle.

  16. A Triphasic Sorting System: Coordination Cages in Ionic Liquids.

    PubMed

    Grommet, Angela B; Bolliger, Jeanne L; Browne, Colm; Nitschke, Jonathan R

    2015-12-01

    Host-guest chemistry is usually carried out in either water or organic solvents. To investigate the utility of alternative solvents, three different coordination cages were dissolved in neat ionic liquids. By using (19) F NMR spectroscopy to monitor the presence of free and bound guest molecules, all three cages were demonstrated to be stable and capable of encapsulating guests in ionic solution. Different cages were found to preferentially dissolve in different phases, allowing for the design of a triphasic sorting system. Within this system, three coordination cages, namely Fe4 L6 2, Fe8 L12 3, and Fe4 L4 4, each segregated into a distinct layer. Upon the addition of a mixture of three different guests, each cage (in each separate layer) selectively bound its preferred guest. PMID:26494225

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

    SciTech Connect

    Galeao, A. P.; Barbero, C.; De Conti, C.; Krmpotic, F.

    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.

  18. Coordination for Plasma Science and Technology

    NASA Astrophysics Data System (ADS)

    Eastman, Timothy

    1997-11-01

    There are multiple levels and venues for communicating the excitement and possibilities of plasma science and technology to a broader audience. The internet and web are the most important new media for such public outreach. Nevertheless, a plurality of methods will always be needed because of the various strengths and weaknesses of each venue. Similarly, a plurality of coordination efforts is needed to adequately address recognized education and public outreach needs. I will describe ongoing coordination, education and public outreach efforts for the plasma sciences and their interrelation; internet-based web pages (e.g., see plasma homepage) and newsgroup, articles and brochures, educational workshops, exhibits and, among others, a new coalition for all plasma science and technology.

  19. Metastable postural coordination dynamics.

    PubMed

    James, Eric G

    2013-08-26

    The present study examined the coordination dynamics of the head and center of mass (COM) using accelerometry in quiet 1 and 2 leg stance with and without vision. The root mean square jerk of effectors was greater in 1 leg stance and without vision, and was greater for the head in 2 leg stance and greater at the COM for 1 leg stance. The coordination of the COM and head was more variable in 1 leg stance with vision than in the other stance and vision combinations. Both grouped and individual participant data showed metastable coordination dynamics with the presence of ghost attractors on both axes of motion that varied with the task. The findings indicated that stance and visual information conditions acted as control parameters, with increments in task difficulty increasing relative phase variability until a bifurcation in the metastable dynamics occurred in 1 leg stance without vision. PMID:23769730

  20. Is Water a Universal Solvent for Life?

    NASA Technical Reports Server (NTRS)

    Pohorill, Andrew

    2012-01-01

    There are strong reasons to believe that the laws, principles and constraints of physics and chemistry are universal. It is much less clear how this universality translates into our understanding of the origins of life. Conventionally, discussions of this topic focus on chemistry that must be sufficiently rich to seed life. Although this is clearly a prerequisite for the emergence of living systems, I propose to focus instead on self-organization of matter into functional structures capable of reproduction, evolution and responding to environmental changes. In biology, most essential functions are largely mediated by noncovalent interactions (interactions that do not involve making or breaking chemical bonds). Forming chemical bonds is only a small part of what living systems do. There are specific implications of this point of view for universality. I will concentrate on one of these implications. Strength of non-covalent interactions must be properly tuned. If they were too weak, the system would exhibit undesired, uncontrolled response to natural fluctuations of physical and chemical parameters. If they were too strong kinetics of biological processes would be slow and energetics costly. This balance, however, is not a natural property of complex chemical systems. Instead, it has to be achieved with the aid of an appropriate solvent for life. In particular, potential solvents for life must be characterized by a high dielectric constant to ensure solubility of polar species and sufficient flexibility of biological structures stabilized by electrostatic interactions. Among these solvents, water exhibits a remarkable trait that it also promotes solvophobic (hydrophobic) interactions between non-polar species, typically manifested by a tendency of these species to aggregate and minimize their contacts with the aqueous solvent. Hydrophobic interactions are responsible, at least in part, for many self-organization phenomena in biological systems, such as the formation of cellular boundary structures or protein folding. Strengths of electrostatic and hydrophobic interactions are similar and can be balanced over a wide range of temperatures, which considerably increases the repertoire of interactions that can be used to modulate biological functions. Some properties of water, e.g. its chemical activity against polymerization reactions, are considered as unfavorable to life. In actuality, this might be a favorable trait because life requires a balance between constructive and destructive processes. For example, molecules synthesized in response to specific conditions must be degraded once these conditions change. Otherwise regulation of biological processes would be virtually impossible. Water might not be the only liquid with favorable properties for supporting life. It has been proposed that formamide, which might be present elsewhere in the universe in sufficient quantities to warrant interest, could be a potential alternative to water for the origin of life. However, this will remain highly hypothetical until it is demonstrated in further studies on its physical, chemical and biological properties it is capable of mediating self-organization of matter and providing proper balance between different types of non-covalent interactions.

  1. 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.

  2. Solvent Extraction of Furfural From Biomass

    NASA Technical Reports Server (NTRS)

    Humphrey, M. F.

    1984-01-01

    Solvent-extraction method reduces energy required to remove furfural produced during acid hydrolysis of biomass. Acid hydrolysis performed in vessel containing both solvents and reacting ingredients. With intimate contact between solvents and aqueous hydrolyis liqour, furfural removed form liquor almost as fast as it forms.

  3. Firing of pulverized solvent refined coal

    DOEpatents

    Derbidge, T. Craig (Sunnyvale, CA); Mulholland, James A. (Chapel Hill, NC); Foster, Edward P. (Macungie, PA)

    1986-01-01

    An air-purged burner for the firing of pulverized solvent refined coal is constructed and operated such that the solvent refined coal can be fired without the coking thereof on the burner components. The air-purged burner is designed for the firing of pulverized solvent refined coal in a tangentially fired boiler.

  4. Solvent effects on the resonance Raman spectra of bacteriochlorophyll a cation radical

    NASA Astrophysics Data System (ADS)

    Misono, Yasuhito; Nishizawa, Ei-ichi; Limantara, Leenawaty; Koyama, Yasushi; Itoh, Koichi

    1995-04-01

    Resonance Raman (RR) spectra were measured for the cation radical of bacteriochlorophyll a in acetone, methanol, dichloromethane and mixed solvents of acetone and methanol. The ring-breathing (C a-C m stretching) frequency of the radical (abbreviated as vr+) was observed at 1601 cm -1 in acetone (forming a penta-coordinated monomer), at 1587 cm -1 in a methanol (forming a hexa-coordinated monomer) and at 1600 cm -1 in dichloromethane (forming a penta-coordinated aggregate). The RR spectrum of the radical in dichloromethane is almost identical to the transient RR spectrum ascribed to 'the aggregated T 1 species of Bchl a' formed in the particular solvent by Nishizawa, Limantara, Nanjou, Nagae, Kakuno and Koyama, indicating that their interpretation needs to be revised.

  5. On projective coordinate spaces

    NASA Astrophysics Data System (ADS)

    Ćiftçi, Süleyman; Erdoǧan, Fatma Özen

    2015-09-01

    In the present study, an (n+1)-dimensional module over the local ring K = Mmm(ℝ) is constructed. Further, an n- dimensional projective coordinate space over this module is constructed by the help of equivalence classes. The points and lines of this space are determined and the points are classified. Finally, for a 3-dimensional projective coordinate space, the incidence matrix for a line that goes through the given points and also all points of a line given with the incidence matrix are found by the use of Maple commands.

  6. 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.

  7. Effect of the Solvent Temperatures on Dynamics of Serine Protease Proteinase K.

    PubMed

    Sang, Peng; Yang, Qiong; Du, Xing; Yang, Nan; Yang, Li-Quan; Ji, Xing-Lai; Fu, Yun-Xin; Meng, Zhao-Hui; Liu, Shu-Qun

    2016-01-01

    To obtain detailed information about the effect of the solvent temperatures on protein dynamics, multiple long molecular dynamics (MD) simulations of serine protease proteinase K with the solute and solvent coupled to different temperatures (either 300 or 180 K) have been performed. Comparative analyses demonstrate that the internal flexibility and mobility of proteinase K are strongly dependent on the solvent temperatures but weakly on the protein temperatures. The constructed free energy landscapes (FELs) at the high solvent temperatures exhibit a more rugged surface, broader spanning range, and higher minimum free energy level than do those at the low solvent temperatures. Comparison between the dynamic hydrogen bond (HB) numbers reveals that the high solvent temperatures intensify the competitive HB interactions between water molecules and protein surface atoms, and this in turn exacerbates the competitive HB interactions between protein internal atoms, thus enhancing the conformational flexibility and facilitating the collective motions of the protein. A refined FEL model was proposed to explain the role of the solvent mobility in facilitating the cascade amplification of microscopic motions of atoms and atomic groups into the global collective motions of the protein. PMID:26907253

  8. Effect of the Solvent Temperatures on Dynamics of Serine Protease Proteinase K

    PubMed Central

    Sang, Peng; Yang, Qiong; Du, Xing; Yang, Nan; Yang, Li-Quan; Ji, Xing-Lai; Fu, Yun-Xin; Meng, Zhao-Hui; Liu, Shu-Qun

    2016-01-01

    To obtain detailed information about the effect of the solvent temperatures on protein dynamics, multiple long molecular dynamics (MD) simulations of serine protease proteinase K with the solute and solvent coupled to different temperatures (either 300 or 180 K) have been performed. Comparative analyses demonstrate that the internal flexibility and mobility of proteinase K are strongly dependent on the solvent temperatures but weakly on the protein temperatures. The constructed free energy landscapes (FELs) at the high solvent temperatures exhibit a more rugged surface, broader spanning range, and higher minimum free energy level than do those at the low solvent temperatures. Comparison between the dynamic hydrogen bond (HB) numbers reveals that the high solvent temperatures intensify the competitive HB interactions between water molecules and protein surface atoms, and this in turn exacerbates the competitive HB interactions between protein internal atoms, thus enhancing the conformational flexibility and facilitating the collective motions of the protein. A refined FEL model was proposed to explain the role of the solvent mobility in facilitating the cascade amplification of microscopic motions of atoms and atomic groups into the global collective motions of the protein. PMID:26907253

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

    DOEpatents

    Bohnert, George W.; Hand, Thomas E.; DeLaurentiis, Gary M.

    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.

  10. Block coordination copolymers

    DOEpatents

    Koh, Kyoung Moo; Wong-Foy, Antek G; Matzger, Adam J; Benin, Annabelle I; Willis, Richard R

    2012-11-13

    The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

  11. Block coordination copolymers

    DOEpatents

    Koh, Kyoung Moo; Wong-Foy, Antek G; Matzger, Adam J; Benin, Annabelle I; Willis, Richard R

    2014-11-11

    The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

  12. [Civilian-military coordination].

    PubMed

    de Montravel, G

    2002-01-01

    Current humanitarian emergencies create complex, mutidimensional situations that stimulate simultaneous responses from a wide variety of sources including governments, non-governmental organizations (NGO), United Nations agencies, and private individuals. As a result, it has become essential to establish a coherent framework in which each actor can contribute promptly and effectively to the overall effort. This is the role of the United Nations Office for the Coordination of Humanitarian Affairs. Regardless of the circumstances and level of coordination, cooperation and collaboration between humanitarian and military personnel, it is necessary to bear in mind their objectives. The purpose of humanitarian action is to reduce human suffering. The purpose of military intervention is to stop warfare. The author of this article will discuss the three major obstacles to civilian-military coordination (strategic, tactical, and operational). Operations cannot be conducted smoothly and differences cannot be ironed out without mutual respect between the two parties, an explicit definition of their respective duties and responsibilities, a clear understanding of their cultural differences, and the presence of an organization and facilities for coordination and arbitrage by a neutral referee. PMID:12534190

  13. Profiling Computing Coordinators.

    ERIC Educational Resources Information Center

    Edwards, Sigrid; Morton, Allan

    The people responsible for managing school computing resources in Australia have become known as Computing Coordinators. To date there has been no large systematic study of the role, responsibilities and characteristics of this position. This paper represents a first attempt to provide information on the functions and attributes of the Computing

  14. Origins of Coordinate Searching.

    ERIC Educational Resources Information Center

    Kilgour, Frederick G.

    1997-01-01

    Reviews the origins of post-coordinate searching and emphasizes that the focal point should be on the searcher, not on the item being indexed. Highlights include the history of the term information retrieval; edge notched punch cards; the "peek-a-boo" system; the Uniterm system; and using computers to search for information. (LRW)

  15. Block coordination copolymers

    SciTech Connect

    Koh, Kyoung Moo; Wong-Foy, Antek G.; Matzger, Adam J.; Benin, Annabelle I.; Willis, Richard R.

    2012-12-04

    The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

  16. 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.

  17. 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.

  18. Tagged-weak {pi} method

    SciTech Connect

    Margaryan, A.; Hashimoto, O.; Kakoyan, V.; Knyazyan, S.; Tang, L.

    2011-02-15

    A new 'tagged-weak {pi} method' is proposed for determination of electromagnetic transition probabilities B(E2) and B(M1) of the hypernuclear states with lifetimes of {approx}10{sup -10} s. With this method, we are planning to measure B(E2) and B(M1) for light hypernuclei at JLab. The results of Monte Carlo simulations for the case of E2(5/2{sup +}, 3/2{sup +} {yields} 1/2{sup +}) transitions in {sub {Lambda}}{sup 7}He hypernuclei are presented.

  19. Electromagnetic weak turbulence theory revisited

    SciTech Connect

    Yoon, P. H.; Ziebell, L. F.; Gaelzer, R.; Pavan, J.

    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.

  20. Solution structures of ferrihaem in some dipolar aprotic solvents and their binary aqueous mixtures

    PubMed Central

    Brown, S. B.; Lantzke, I. R.

    1969-01-01

    1. Conductivity and u.v. and visible spectroscopic techniques were used to investigate the solution structure of the prosthetic group of the ferric haemoproteins (ferrihaem) in dimethyl sulphoxide, NN-dimethylacetamide, NN-dimethylformamide and sulpholane, and certain of their aqueous mixtures. 2. In neutral or acid dimethyl sulphoxide, chlorohaemin is monomeric and completely dissociated into Cl?ion and a ferrihaem species with dimethyl sulphoxide molecules in the fifth and sixth co-ordination positions on iron. 3. In neutral NN-dimethylacetamide and NN-dimethylformamide chlorohaemin is monomeric but is largely undissociated, giving different spectra from that of chlorohaemin in dimethyl sulphoxide. On acidification, dissociation occurs and the dimethyl sulphoxide type of spectrum results. 4. Studies in a fourth solvent, sulpholane, indicate that solvent co-ordinating power (ligand strength) rather than bulk dielectric constant is responsible for dissociation of chlorohaemin. 5. In neutral dimethyl sulphoxidewater mixtures chlorohaemin remains monomeric and completely dissociated, and spectra are independent of mixture composition, except at high water concentrations, when precipitation occurs. In alkaline dimethyl sulphoxidewater mixtures, where the complete solvent mixture range is accessible, ferrihaem is polymeric (probably dimeric) and spectra are dependent on solvent composition. A quantitative analysis indicates that the spectral changes are due to replacement by water of one molecule of co-ordinated dimethyl sulphoxide per ferrihaem aggregate, and do not involve a two-molecule replacement as has been suggested for the alkaline pyridinewater system. PMID:5378383

  1. The thermodynamics of solvent exchange.

    PubMed

    Schellman, J A

    1994-08-01

    A model for solvation in mixed solvents, which was developed for the free energy and preferential interaction [J. A. Schellman (1987), Biopolymers, Vol. 26, pp. 549-559; (1990), Biophysical Chemistry, Vol. 37, pp. 121-140; (1993), Biophysical Chemistry, Vol. 45, pp. 273-279], is extended in this paper to cover the thermal properties: enthalpy, entropy, and heat capacity. An important result is that the enthalpy of solvation H(ex)2 responds directly to the fraction of site occupation. This differs from the free energy G(ex)2 and preferential interaction gamma 32, which are measures of the excess binding above a random distribution of solvent molecules. In other words, the enthalpy is governed by K while G(ex)2 and gamma 32 are governed by (K-1) where K is the equilibrium constant on a mole fraction scale [Schellman (1987)]. The solvation heat capacity Cpex2 consists of two term: (1) the intrinsic heat capacity of species in solution with no change in composition, and (2) a term that accounts for the change in composition that accompanies solvent exchange. Binding to biological macromolecules is heterogeneous but experimentalists must use binding isotherms that assume the homogeneity of sites. Equations are developed for the interpretation of the experimental parameters (number of sites nexp, equilibrium constant Kexp, and enthalpy, delta hexp), when homogeneous formulas are applied to the heterogeneous case. It is shown that the experimental parameters for the occupation and enthalpy are simple functions of the moments of the distribution of equilibrium constants over the sites. In general, nexp is greater than the true number of sites and Kexp is greater than the average of the equilibrium constants. The free energy and preferential interaction can be fit to a homogeneous formula, but the parameters of the curve are not easily represented in terms of the moments of distributions over the sites. The strengths and deficiencies of this type of thermodynamic model are discussed. PMID:8075384

  2. Atomistic simulation based prediction of the solvent effect on the molecular mobility and glass transition of poly (methyl methacrylate)

    NASA Astrophysics Data System (ADS)

    Mishra, Shawn; Keten, Sinan

    2013-01-01

    We present an investigation of the retained solvent effect on the glass transition temperature (Tg) of poly(methyl methacrylate) (PMMA) through all-atom molecular dynamics simulations. Addition of a weakly interactive solvent, tetrahydrofuran (THF), causes a depression of the PMMA Tg that can be identified through an analysis of the mean squared displacement of the polymer chains from atomistic trajectories. Our results are in very good agreement with an atomistically informed theoretical model based on free volume theory and demonstrate the applicability of molecular simulation to discern solvent effects on polymer thermomechanical behavior in silico.

  3. Assembly of Cerium(III) 2,2?-Bipyridine-5,5?-dicarboxylate-based MetalOrganic Frameworks by Solvent Tuning

    SciTech Connect

    Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kgerler, Paul

    2014-07-02

    Two cerium(III) 2,2?-bipyridine-5,5?-dicarboxylate-based 3D coordination networks highlight the ability of CeIII ions to adopt different coordination environments upon subtle changes to the reaction conditions, producing metal?organic frameworks that integrate varying crystal solvent contents.

  4. SOLVENT EXTRACTION PROCESS FOR PLUTONIUM

    DOEpatents

    Seaborg, G.T.

    1959-04-14

    The separation of plutonium from aqueous inorganic acid solutions by the use of a water immiscible organic extractant liquid is described. The plutonium must be in the oxidized state, and the solvents covered by the patent include nitromethane, nitroethane, nitropropane, and nitrobenzene. The use of a salting out agents such as ammonium nitrate in the case of an aqueous nitric acid solution is advantageous. After contacting the aqueous solution with the organic extractant, the resulting extract and raffinate phases are separated. The plutonium may be recovered by any suitable method.

  5. Solvent refined coal (SRC) process

    SciTech Connect

    Not Available

    1980-12-01

    This report summarizes the progress of the Solvent Refined Coal (SRC) project by The Pittsburg and Midway Coal Mining Co. at the SRC Pilot Plant in Fort Lewis, Washington and the Gulf Science and Technology Company Process Development Unit (P-99) in Harmarville, Pennsylvania, for the Department of Energy during the month of October, 1980. The Fort Lewis Pilot Plant was shut down the entire month of October, 1980 for inspection and maintenance. PDU P-99 completed two runs during October investigating potential start-up modes for the Demonstration Plant.

  6. Variation and decomposition of the partial molar volume of small gas molecules in different organic solvents derived from molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Klhn, Marco; Martin, Alistair; Cheong, Daniel W.; Garland, Marc V.

    2013-12-01

    The partial molar volumes, bar V_i, of the gas solutes H2, CO, and CO2, solvated in acetone, methanol, heptane, and diethylether are determined computationally in the limit of infinite dilution and standard conditions. Solutions are described with molecular dynamics simulations in combination with the OPLS-aa force field for solvents and customized force field for solutes. bar V_i is determined with the direct method, while the composition of bar V_i is studied with Kirkwood-Buff integrals (KBIs). Subsequently, the amount of unoccupied space and size of pre-formed cavities in pure solvents is determined. Additionally, the shape of individual solvent cages is analyzed. Calculated bar V_i deviate only 3.4 cm3 mol-1 (7.1%) from experimental literature values. Experimental bar V_i variations across solutions are reproduced qualitatively and also quantitatively in most cases. The KBI analysis identifies differences in solute induced solvent reorganization in the immediate vicinity of H2 (<0.7 nm) and solvent reorganization up to the third solvation shell of CO and CO2 (<1.6 nm) as the origin of bar V_i variations. In all solutions, larger bar V_i are found in solvents that exhibit weak internal interactions, low cohesive energy density and large compressibility. Weak internal interactions facilitate solvent displacement by thermal solute movement, which enhances the size of solvent cages and thus bar V_i. Additionally, attractive electrostatic interactions of CO2 and the solvents, which do not depend on internal solvent interactions only, partially reversed the bar V_i trends observed in H2 and CO solutions where electrostatic interactions with the solvents are absent. More empty space and larger pre-formed cavities are found in solvents with weak internal interactions, however, no evidence is found that solutes in any considered solvent are accommodated in pre-formed cavities. Individual solvent cages are found to be elongated in the negative direction of solute movement. This wake behind the moving solute is more pronounced in case of mobile H2 and in solvents with weaker internal interactions. However, deviations from a spherical solvent cage shape do not influence solute-solvent radial distribution functions after averaging over all solvent cage orientations and hence do not change bar V_i. Overall, the applied methodology reproduces bar V_i and its variations reliably and the used bar V_i decompositions identify the underlying reasons behind observed bar V_i variations.

  7. FT-Raman spectroscopy study of solvent-in-salt electrolytes

    NASA Astrophysics Data System (ADS)

    Liumin, Suo; Fang, Zheng; Yong-Sheng, Hu; Liquan, Chen

    2016-01-01

    Cationanion interaction with different ratios of salt to solvent is investigated by FT-Raman spectroscopy. The fitting result of the CNC bending vibration manifests that the cationanion coordination structure changes tremendously with the variation of salt concentration. It is well known that lithium-ion transport in ultrahigh salt concentration electrolyte is dramatically different from that in dilute electrolyte, due to high viscosity and strong cationanion interaction. In ultrahigh salt concentrated solvent-in-salt electrolyte (SIS-7#), we found, on one hand, that the cation and anion in the solution mainly formed cationanion pairs with a high Li+ coordination number (? 1), including intimate ion pairs (20.1%) and aggregated ion pairs (79.9%), which not only cause low total ionic conductivity but also cause a high lithium transference number (0.73). A possible lithium transport mechanism is proposed: in solvent-in-salt electrolytes, lithium ions direct movement presumably depends on Li-ion exchange between aggregated ion pairs and solvent molecules, which repeats a dissolving and re-complexing process between different oxygen groups of solvent molecules. Project supported by the National Basic Research Program of China (Grant No. 2014CB932300), the National Natural Science Foundation of China (Grant Nos. 51222210, 51472268, and 11234013), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA09010300).

  8. Colorimetric Humidity and Solvent Recognition Based on a Cation-Exchange Clay Mineral Incorporating Nickel(II)-Chelate Complexes.

    PubMed

    Hosokawa, Hitoshi; Mochida, Tomoyuki

    2015-12-01

    Solvatochromic nickel(II) complexes with diketonato and diamine ligands were incorporated into a saponite clay by ion exchange, and their colorimetric humidity- and solvent-recognition properties were investigated. These powders exhibit color change from red to blue-green depending on humidity, and the detection range can be controlled by modifying the metal complex. The humidity response takes advantage of the humidity-dependent water content in clay and the coordination of water molecules to the metal complex in equilibrium. The addition of organic solvents to the powders causes a color change to occur, varying from red to blue-green depending on the donor number of the solvent, thereby enabling solvent recognition. In the clay, the affinity of less sterically hindered complexes to water or solvent molecules is decreased compared with that in solution because the cationic complexes interact with the anionic layers in the clay. Incorporating diethylene glycol into the materials produced thermochromic powders. PMID:26542108

  9. Shared Activity Coordination

    NASA Technical Reports Server (NTRS)

    Clement, Bradley J.; Barrett, Anthony C.

    2003-01-01

    Interacting agents that interleave planning and execution must reach consensus on their commitments to each other. In domains where agents have varying degrees of interaction and different constraints on communication and computation, agents will require different coordination protocols in order to efficiently reach consensus in real time. We briefly describe a largely unexplored class of real-time, distributed planning problems (inspired by interacting spacecraft missions), new challenges they pose, and a general approach to solving the problems. These problems involve self-interested agents that have infrequent communication but collaborate on joint activities. We describe a Shared Activity Coordination (SHAC) framework that provides a decentralized algorithm for negotiating the scheduling of shared activities in a dynamic environment, a soft, real-time approach to reaching consensus during execution with limited communication, and a foundation for customizing protocols for negotiating planner interactions. We apply SHAC to a realistic simulation of interacting Mars missions and illustrate the simplicity of protocol development.

  10. Coerced coordination, not cooperation.

    PubMed

    Soler, Montserrat; Lenfesty, Hillary L

    2016-01-01

    Norenzayan et al. propose that Big God (BG) religions are large-group cooperative enterprises that promote internal harmony and higher fertility, resulting in "mutually beneficial exchanges" for those involved. We examine the possible distributions of costs and benefits within BG religions and propose that they are, instead, successful coordinating mechanisms that rely on intragroup competition and exploitation between the classes and sexes. PMID:26948742

  11. Rational solvent selection for cooling crystallizations

    SciTech Connect

    Nass, K.K. . 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.

  12. 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.

  13. Coordinating Shared Activities

    NASA Technical Reports Server (NTRS)

    Clement, Bradley

    2004-01-01

    Shared Activity Coordination (ShAC) is a computer program for planning and scheduling the activities of an autonomous team of interacting spacecraft and exploratory robots. ShAC could also be adapted to such terrestrial uses as helping multiple factory managers work toward competing goals while sharing such common resources as floor space, raw materials, and transports. ShAC iteratively invokes the Continuous Activity Scheduling Planning Execution and Replanning (CASPER) program to replan and propagate changes to other planning programs in an effort to resolve conflicts. A domain-expert specifies which activities and parameters thereof are shared and reports the expected conditions and effects of these activities on the environment. By specifying these conditions and effects differently for each planning program, the domain-expert subprogram defines roles that each spacecraft plays in a coordinated activity. The domain-expert subprogram also specifies which planning program has scheduling control over each shared activity. ShAC enables sharing of information, consensus over the scheduling of collaborative activities, and distributed conflict resolution. As the other planning programs incorporate new goals and alter their schedules in the changing environment, ShAC continually coordinates to respond to unexpected events.

  14. Asphaltene aggregation in organic solvents.

    PubMed

    Oh, Kyeongseok; Ring, Terry A; Deo, Milind D

    2004-03-01

    Asphaltenic solids formed in the Rangely field in the course of a carbon dioxide flood and heptane insolubles in the oil from the same field were used in this study. Four different solvents were used to dissolve the asphaltenes. Near-infrared (NIR) spectroscopy was used to determine the onset of asphaltene precipitation by heptane titration. When the onset values were plotted versus asphaltene concentrations, distinct break points (called critical aggregation concentrations (CAC) in this paper) were observed. CACs for the field asphaltenes dissolved in toluene, trichloroethylene, tetrahydrofuran, and pyridine occurred at concentrations of 3.0, 3.7, 5.0, and 8.2 g/l, respectively. CACs are observed at similar concentrations as critical micelle concentrations (CMC) for the asphaltenes in the solvents employed and can be interpreted to be the points at which rates of asphaltene aggregations change. CMC values of asphaltenes determined from surface tension measurements (in pyridine and TCE) were slightly higher than the CAC values measured by NIR onset measurements. The CAC for heptane-insoluble asphaltenes in toluene was 3.1 g/l. Thermal gravimetric analysis (TGA) and elemental compositions of the two asphaltenes showed that the H/C ratio of the heptane-insoluble asphaltenes was higher and molecular weight (measured by vapor pressure osmometry) was lower. PMID:14757097

  15. Solvent Reorganization Energy and Electronic Coupling for Intramolecular Electron Transfer in Biphenyl-Acceptor Anion Radicals

    NASA Astrophysics Data System (ADS)

    Wang, Jing-bo; Ma, Jian-yi; Li, Xiang-yuan; He, Fu-cheng; Fu, Ke-xiang

    2008-02-01

    A novel algorithm was designed and implemented to realize the numerical calculation of the solvent reorganization energy for electron transfer reactions, on the basis of nonequilibrium solvation theory and the dielectric polarizable continuum model. Applying the procedure to the well-investigated intramolecular electron transfer in biphenyl-androstane-naphthyl and biphenyl-androstane-phenanthryl systems, the numerical results of solvent reorganization energy were determined to be around 60 kJ/mol, in good agreement with experimental data. Koopman's theorem was adopted for the calculation of the electron transfer coupling element, associated with the linear reaction coordinate approximation. The values for this quantity obtained are acceptable when compared with experimental results.

  16. Organic ferromagnetism of Tc=6.7 K driven by evaporation of crystal solvent

    NASA Astrophysics Data System (ADS)

    Fujita, W.; Awaga, K.

    2002-05-01

    The crystals of the organic cation radical salt, BBDTA (benzo[1,2-d:4,5-d ']bis[1,3,2]dithiazole)GaCl 4CH 3CN, was found to consist of a ladder-type structure of BBDTA, coordinated by the crystal solvent, CH 3CN. While this material exhibited diamagnetic properties, removal of the crystal solvent resulted in a drastic change from diamagnetic to paramagnetic, probably caused by a packing modification of the BBDTA molecules. The desolvated form made bulk, ferromagnetic ordering at 6.7 K. This finding has superseded the highest Curie temperature of organic ferromagnets based on ferromagnetic interactions, <2 K.

  17. Weak D in the Tunisian population

    PubMed Central

    Ouchari, Mouna; Romdhane, Houda; Chakroun, Taher; Abdelkefi, Saida; Houissa, Batoul; Hmida, Slama; Yacoub, Saloua Jemni

    2015-01-01

    Background More than 90 weak D types have been discovered to date. As there are no published data on the frequencies of weak D types in the Tunisian population, the aim of this study was to determine the composition of weak D alleles in our population. Material and methods Blood samples from 1777 D+ and 223 D? blood donors were tested for markers 809G, 1154C, 8G, 602G, 667G, 446A, and 885T relative to translation start codon by polymerase chain reaction with sequence-specific primers to estimate the frequencies of weak D type 1, weak D type 2, weak D type 3, weak D type 4, weak D type 5 and weak D type 11 in our population. Twenty-three samples with positive reactions were re-evaluated by DNA sequencing of RHD exons 110 and adjacent intronic sequences. Results Among the D+ donor cohort, weak D type 4 was the most prevalent allele (n=33, 1.2%) followed by weak D type 2 (n=6, 0.17%), weak D type 1 (n=4, 0.11%), and weak D type 5 (n=1, 0.28%) and weak D type 11 (n=1, 0.28%). RHD sequencing identified a weak D type 4.0 allele in all 19 samples tested. Among the D? pool, comprising 223 samples, we detected one sample with weak D type 4.0 associated with a C+c+E?e+ phenotype which had been missed by routine serological methods. Discussion Weak D type 4.0 appears to be the most prevalent weak D in our population. However, all samples must be sequenced in order to determine the exact subtype of weak D type 4, since weak D type 4.2 has considerable clinical importance, being associated with anti-D alloimmunisation. One case of weak D type 4 associated with dCe in trans had been missed by serology, so quality control of serological tests should be developed in our country. PMID:25369614

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

    SciTech Connect

    Tang Qun; Liu Shuxia; Liang Dadong; Ma Fengji; Ren Guojian; Wei Feng; Yang Yuan; Li Congcong

    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.

  19. Solvent Signal is a NMR Concentration Reference

    PubMed Central

    Mo, Huaping; Raftery, Daniel

    2009-01-01

    We propose that the NMR solvent signal be utilized as a universal concentration reference because most solvents can be observed by NMR, and solvent concentrations can be readily calculated or determined independently. In particular, a highly protonated solvent such as water can serve as a primary concentration standard for its stability, availability and ease of observation. The potential issues of radiation damping associated with a strong NMR signal can be alleviated by small pulse angle excitations. The solvent signal then can be detected by the NMR receiver with the same efficiency as a dilute analyte. We demonstrated that the analyte's proton concentration can be accurately determined from 4 ?M to more than 100 M, referenced by solvent (water) protons of concentrations more than 10 M. The proposed method is robust and indifferent to probe tuning, and does not require any additional concentration standard. PMID:19007190

  20. 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.

  1. Reducing systematic error in weak lensing cluster surveys

    SciTech Connect

    Utsumi, Yousuke; Miyazaki, Satoshi; Hamana, Takashi; Geller, Margaret J.; Kurtz, Michael J.; Fabricant, Daniel G.; Dell'Antonio, Ian P.; Oguri, Masamune

    2014-05-10

    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 deg{sup 2}. 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 deg{sup 2}, where we expect ?2000 peaks based on our Subaru fields.

  2. 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.

  3. 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.

  4. 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.

  5. Accelerated solvent extraction for natural products isolation.

    PubMed

    Mottaleb, Mohammad A; Sarker, Satyajit D

    2012-01-01

    Accelerated solvent extraction (ASE()), first introduced in 1995, is an automated rapid extraction technique that utilizes common solvents at elevated temperature and pressure, and thereby increases the efficiency of extraction of organic compounds from solid and semisolid matrices. ASE() allows extractions for sample sizes 1-100 g in minutes, reduces solvent uses dramatically, and can be applied to a wide range of matrices, including natural products. PMID:22367894

  6. Non-representative Quantum Mechanical Weak Values

    NASA Astrophysics Data System (ADS)

    Svensson, B. E. Y.

    2015-12-01

    The operational definition of a weak value for a quantum mechanical system involves the limit of the weak measurement strength tending to zero. I study how this limit compares to the situation for the undisturbed (no weak measurement) system. Under certain conditions, which I investigate, this limit is discontinuous in the sense that it does not merge smoothly to the Hilbert space description of the undisturbed system. Hence, in these discontinuous cases, the weak value does not represent the undisturbed system. As a result, conclusions drawn from such weak values regarding the properties of the studied system cannot be upheld. Examples are given.

  7. STUDY OF SOLVENT AND CATALYST INTERACTIONS IN DIRECT COAL LIQUEFACTION

    SciTech Connect

    Michael T. Klein

    2000-01-01

    There are several aspects of the Direct Coal Liquefaction process which are not fully understood and which if better understood might lead to improved yields and conversions. Among these questions are the roles of the catalyst and the solvent. While the solvent is known to act by transfer of hydrogen atoms to the free radicals formed by thermal breakdown of the coal in an uncatalyzed system, in the presence of a solid catalyst as is now currently practiced, the yields and conversions are higher than in an uncatalyzed system. The role of the catalyst in this case is not completely understood. DOE has funded many projects to produce ultrafine and more active catalysts in the expectation that better contact between catalyst and coal might result. This approach has met with limited success probably because mass transfer between two solids in a fluid medium i.e. the catalyst and the coal, is very poor. It is to develop an understanding of the role of the catalyst and solvent in Direct Liquefaction that this project was initiated. Specifically it was of interest to know whether direct contact between the coal and the catalyst was important. By separating the solid catalyst in a stainless steel basket permeable to the solvent but not the coal in the liquefaction reactor, it was shown that the catalyst still maintains a catalytic effect on the liquefaction process. There is apparently transfer of hydrogen atoms from the catalyst through the basket wall to the coal via the solvent. Strong hydrogen donor solvents appear to be more effective in this respect than weak hydrogen donors. It therefore appears that intimate contact between catalyst and coal is not a requirement, and that the role of the catalyst may be to restore the hydrogen donor strength to the solvent as the reaction proceeds. A range of solvents of varying hydrogen donor strength was investigated. Because of the extensive use of thermogravimetric analysis in this laboratory in was noted that the peak temperature for volatile evolution from coal was a reliable measure of coal rank. Because of this observation, a wide variety of coals of a wide range of ranks was investigated. It was shown in this work that measuring the peak temperature for volatile evolution was quite a precise indicator of rank and correlated closely wit the rank values obtained by measuring vitrinite reflectance, a more difficult measurement to make. This prompted the desire to know the composition of the volatile materials evolved as a function of coal rank. This was then measured by coupling a TGA to a mass spectrometer using laser activation and photoionization detection TG-PI-MS. The predominant species in volatiles of low rank coal turned out to be phenols with some alkenes. As the rank increases, the relative amount of alkenes and aromatic hydrocarbons increases and the oxygenated species decrease. It was shown that these volatiles were actually pyrolitic products and not volatilization products of coal. Solvent extraction experiments coupled with TG-PI-MS indicates that the low oiling and more extractable material are essentially similar in chemical types to the non-extractable portions but apparently higher molecular weight and therefor less extractable.

  8. Screening of TODGA/TBP/OK solvent mixtures for the grouped extraction of actinides

    NASA Astrophysics Data System (ADS)

    Brown, Jamie; Carrott, Michael J.; Fox, O. Danny; Maher, Chris J.; Mason, Chris; McLachlan, Fiona; Sarsfield, Mark J.; Taylor, Robin J.; Woodhead, Dave A.

    2010-03-01

    The solvent combination N,N,N'N'- tetraoctyl diglycolamide (TODGA)/tributyl phosphate (TBP)/odourless kerosene (OK) is examined as a potential solvent system for a Grouped Actinide Extraction (GANEX) process to separate all of the actinides from fission products when reprocessing spent nuclear fuel. A series of solvent extraction batch experiments were performed with a range of TODGA/TBP/OK solvent combinations to assess the sensitivity of distribution values for a number of key elements towards [TBP] (0 1.1M), [TODGA] (0.1-0.4M), [HNO3] (0.1-5M) and heavy metal loading ([U] 0-200g/l). There is little impact on DAm or DEu across the solvent range and no influence from U loading. Excellent DNp values (> 10) are observed, increasing with increasing [TODGA], with [TBP] having little influence. Such high DNp values may obviate the need for preconditioning of dissolved fuel feeds to control Np routing. High DTc values are found even at 5M HNO3, therefore Tc is expected to remain in the solvent phase. Both Pu(III) and Pu(IV) are readily extracted with DPu(III) > DPu(IV). Uranium is extracted by both TBP and TODGA and TBP is shown to effectively compete with TODGA for uranium coordination sites. Third phase formation occurs at high [U] loading and [HNO3] but is suppressed by increasing [TBP].

  9. Organic solvent use in enterprises in Japan.

    PubMed

    Nagasawa, Yasuhiro; Ukai, Hirohiko; Okamoto, Satoru; Samoto, Hajime; Itoh, Kenji; Moriguchi, Jiro; Sakuragi, Sonoko; Ohashi, Fumiko; Takada, Shiro; Kawakami, Tetsuya; Ikeda, Masayuki

    2011-01-01

    This study was initiated to elucidate possible changes in types of organic solvents (to be called solvents in short) used in enterprises in Japan through comparison of current solvent types with historical data since 1983. To investigate current situation in solvent use in enterprises, surveys were conducted during one year of 2009 to 2010. In total, workroom air samples in 1,497 unit workplaces with solvent use were analyzed in accordance with regulatory requirements. Typical use pattern of solvents was as mixtures, accounting for >70% of cases. Adhesives spreading (followed by adhesion) was relatively common in small-scale enterprises, whereas printing and painting work was more common in middle-scale ones, and solvent use for testing and research purpose was basically in large-scaled enterprises. Through-out printing, painting, surface coating and adhesive application, toluene was most common (being detected in 49 to 82% of workplaces depending on work types), whereas isopropyl alcohol was most common (49%) in degreasing, cleaning and wiping workplaces. Other commonly used solvents were methyl alcohol, ethyl acetate and acetone (33 to 37%). Comparison with historical data in Japan and literature-retrieved data outside of Japan all agreed with the observation that toluene is the most commonly used solvent. Application of trichloroethylene and 1,1,1-trichloroethane, once common in 1980s, has ceased to exist in recent years. PMID:21697614

  10. 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.

  11. Process for hydrogenating coal and coal solvents

    DOEpatents

    Tarrer, Arthur R.; Shridharani, Ketan G.

    1983-01-01

    A novel process is described for the hydrogenation of coal by the hydrogenation of a solvent for the coal in which the hydrogenation of the coal solvent is conducted in the presence of a solvent hydrogenation catalyst of increased activity, wherein the hydrogenation catalyst is produced by reacting ferric oxide with hydrogen sulfide at a temperature range of 260.degree. C. to 315.degree. C. in an inert atmosphere to produce an iron sulfide hydrogenation catalyst for the solvent. Optimally, the reaction temperature is 275.degree. C. Alternately, the reaction can be conducted in a hydrogen atmosphere at 350.degree. C.

  12. Solvent recovery system provides timely compliance solution

    SciTech Connect

    1996-11-01

    Hoechst Celanese Corp. (Coventry, Rhode Island) faced the challenge of meeting an Environmental Protection Agency (EPA) deadline for solvent recovery within one year. The company also had to ensure that a new solvent recovery system would satisfy Rhode Island state requirements. An initial search for the required technology was fruitless. Finally, MG Industries (Saint Charles, Missouri), an industrial gas supplier, was chosen for the job. Using CRYOSOLV, as the waste stream cools in the cryogenic condenser (heat exchanger), the solvents condense at temperatures below the dewpoint. The recovered solvent can be recycled into the process, while clean gas is vented to the atmosphere.

  13. Multipole Structure and Coordinate Systems

    ERIC Educational Resources Information Center

    Burko, Lior M.

    2007-01-01

    Multipole expansions depend on the coordinate system, so that coefficients of multipole moments can be set equal to zero by an appropriate choice of coordinates. Therefore, it is meaningless to say that a physical system has a nonvanishing quadrupole moment, say, without specifying which coordinate system is used. (Except if this moment is the

  14. EMS Course Coordinator's Implementation Guide.

    ERIC Educational Resources Information Center

    Cockrum, Jim

    This handbook is intended to clarify the responsibilities of an instructor-coordinator responsible for coordinating an emergency medical services (EMS) training program and to describe many of the materials now available for use in coordinating EMS training. Addressed in the individual chapters of the guide are the nature and scope of the

  15. Multipole Structure and Coordinate Systems

    ERIC Educational Resources Information Center

    Burko, Lior M.

    2007-01-01

    Multipole expansions depend on the coordinate system, so that coefficients of multipole moments can be set equal to zero by an appropriate choice of coordinates. Therefore, it is meaningless to say that a physical system has a nonvanishing quadrupole moment, say, without specifying which coordinate system is used. (Except if this moment is the…

  16. Work Coordination Engine

    NASA Technical Reports Server (NTRS)

    Zendejas, Silvino; Bui, Tung; Bui, Bach; Malhotra, Shantanu; Chen, Fannie; Kim, Rachel; Allen, Christopher; Luong, Ivy; Chang, George; Sadaqathulla, Syed

    2009-01-01

    The Work Coordination Engine (WCE) is a Java application integrated into the Service Management Database (SMDB), which coordinates the dispatching and monitoring of a work order system. WCE de-queues work orders from SMDB and orchestrates the dispatching of work to a registered set of software worker applications distributed over a set of local, or remote, heterogeneous computing systems. WCE monitors the execution of work orders once dispatched, and accepts the results of the work order by storing to the SMDB persistent store. The software leverages the use of a relational database, Java Messaging System (JMS), and Web Services using Simple Object Access Protocol (SOAP) technologies to implement an efficient work-order dispatching mechanism capable of coordinating the work of multiple computer servers on various platforms working concurrently on different, or similar, types of data or algorithmic processing. Existing (legacy) applications can be wrapped with a proxy object so that no changes to the application are needed to make them available for integration into the work order system as "workers." WCE automatically reschedules work orders that fail to be executed by one server to a different server if available. From initiation to completion, the system manages the execution state of work orders and workers via a well-defined set of events, states, and actions. It allows for configurable work-order execution timeouts by work-order type. This innovation eliminates a current processing bottleneck by providing a highly scalable, distributed work-order system used to quickly generate products needed by the Deep Space Network (DSN) to support space flight operations. WCE is driven by asynchronous messages delivered via JMS indicating the availability of new work or workers. It runs completely unattended in support of the lights-out operations concept in the DSN.

  17. Green Solvents for Precision Cleaning

    NASA Technical Reports Server (NTRS)

    Grandelli, Heather; Maloney, Phillip; DeVor, Robert; Surma, Jan; Hintze, Paul

    2013-01-01

    Aerospace machinery used in liquid oxygen (LOX) fuel systems must be precision cleaned to achieve a very low level of non-volatile residue (< 1 mg0.1 m2), especially flammable residue. Traditionally chlorofluorocarbons (CFCs) have been used in the precision cleaning of LOX systems, specifically CFC 113 (C2Cl3F3). CFCs have been known to cause the depletion of ozone and in 1987, were banned by the Montreal Protocol due to health, safety and environmental concerns. This has now led to the development of new processes in the precision cleaning of aerospace components. An ideal solvent-replacement is non-flammable, environmentally benign, non-corrosive, inexpensive, effective and evaporates completely, leaving no residue. Highlighted is a green precision cleaning process, which is contaminant removal using supercritical carbon dioxide as the environmentally benign solvent. In this process, the contaminant is dissolved in carbon dioxide, and the parts are recovered at the end of the cleaning process completely dry and ready for use. Typical contaminants of aerospace components include hydrocarbon greases, hydraulic fluids, silicone fluids and greases, fluorocarbon fluids and greases and fingerprint oil. Metallic aerospace components range from small nuts and bolts to much larger parts, such as butterfly valves 18 in diameter. A fluorinated grease, Krytox, is investigated as a model contaminant in these preliminary studies, and aluminum coupons are employed as a model aerospace component. Preliminary studies are presented in which the experimental parameters are optimized for removal of Krytox from aluminum coupons in a stirred-batch process. The experimental conditions investigated are temperature, pressure, exposure time and impeller speed. Temperatures of 308 - 423 K, pressures in the range of 8.3 - 41.4 MPa, exposure times between 5 - 60 min and impeller speeds of 0 - 1000 rpm were investigated. Preliminary results showed up to 86 cleaning efficiency with the moderate processing conditions of 323 K, 13.8 MPa, 30 min and 750 rpm.

  18. Single polymer chains in poor solvent: Using the bond fluctuation method with explicit solvent

    NASA Astrophysics Data System (ADS)

    Jentzsch, Christoph; Werner, Marco; Sommer, Jens-Uwe

    2013-03-01

    We use the bond fluctuation model with explicit solvent to study single polymer chains under poor solvent conditions. Static and dynamic properties of the bond fluctuation model with explicit solvent are compared with the implicit solvent model, and the Θ-temperatures are determined for both solvent models. We show that even in the very poor solvent regime, dynamics is not frozen for the explicit solvent model. We investigate some aspects of the structure of a single collapsed globule and show that rather large chain lengths are necessary to reach the scaling regime of a dense sphere. The force-extension curve of a single polymer chain under poor solvent conditions in the fixed end-to-end distance ensemble is analyzed. We find that the transition of the tadpole conformation to the stretched chain conformation is rather smooth because of fluctuation effects, which is in agreement with recent experimental results.

  19. 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.

  20. Weak percolation on multiplex networks

    NASA Astrophysics Data System (ADS)

    Baxter, Gareth J.; Dorogovtsev, Sergey N.; Mendes, Jos F. F.; Cellai, Davide

    2014-04-01

    Bootstrap percolation is a simple but nontrivial model. It has applications in many areas of science and has been explored on random networks for several decades. In single-layer (simplex) networks, it has been recently observed that bootstrap percolation, which is defined as an incremental process, can be seen as the opposite of pruning percolation, where nodes are removed according to a connectivity rule. Here we propose models of both bootstrap and pruning percolation for multiplex networks. We collectively refer to these two models with the concept of "weak" percolation, to distinguish them from the somewhat classical concept of ordinary ("strong") percolation. While the two models coincide in simplex networks, we show that they decouple when considering multiplexes, giving rise to a wealth of critical phenomena. Our bootstrap model constitutes the simplest example of a contagion process on a multiplex network and has potential applications in critical infrastructure recovery and information security. Moreover, we show that our pruning percolation model may provide a way to diagnose missing layers in a multiplex network. Finally, our analytical approach allows us to calculate critical behavior and characterize critical clusters.

  1. Weakly Interacting Disordered Electron Systems

    NASA Astrophysics Data System (ADS)

    Ekuma, C. E.; Terletska, H.; Yang, S.; Tam, K.-M.; Vidhyadhiraja, N. S.; Moreno, J.; Jarrell, M.

    2015-03-01

    We report on the interplay of interactions and disorder within the typical medium dynamical cluster approximation using the Anderson-Hubbard model. By the systematical incorporation of non-local spatial correlations and the diagonal disorder on an equal footing, we study the initial effects of electron interactions (U) in one (1D), two (2D), and three (3D) dimensions. Treating the interacting non-local cluster self-energy (?c(SOPT) [ cal G ~ ] (i , j ? i)) up to ?U2 order in the perturbation expansion, we obtain the ground-state phase diagram in 3D for the disorder induced paramagnetic metal to insulator transition in the presence of weak interactions. We find that the critical disorder strength (Wc), required to localize all states, increases with increasing U; implying that the metallic phase is stabilized by interactions. In 2D, our results agree with previous findings on the destruction of the insulating phase by U, while in 1D, we find strong competition between both phases. This work is supported by the NSF EPSCoR EPS-1003897. Supercomputer support is provided by LONI and HPC@LSU.

  2. Weakly Supervised Human Fixations Prediction.

    PubMed

    Zhang, Luming; Li, Xuelong; Nie, Liqiang; Yang, Yi; Xia, Yingjie

    2016-01-01

    Automatically predicting human eye fixations is a useful technique that can facilitate many multimedia applications, e.g., image retrieval, action recognition, and photo retargeting. Conventional approaches are frustrated by two drawbacks. First, psychophysical experiments show that an object-level interpretation of scenes influences eye movements significantly. Most of the existing saliency models rely on object detectors, and therefore, only a few prespecified categories can be discovered. Second, the relative displacement of objects influences their saliency remarkably, but current models cannot describe them explicitly. To solve these problems, this paper proposes weakly supervised fixations prediction, which leverages image labels to improve accuracy of human fixations prediction. The proposed model hierarchically discovers objects as well as their spatial configurations. Starting from the raw image pixels, we sample superpixels in an image, thereby seamless object descriptors termed object-level graphlets (oGLs) are generated by random walking on the superpixel mosaic. Then, a manifold embedding algorithm is proposed to encode image labels into oGLs, and the response map of each prespecified object is computed accordingly. On the basis of the object-level response map, we propose spatial-level graphlets (sGLs) to model the relative positions among objects. Afterward, eye tracking data is employed to integrate these sGLs for predicting human eye fixations. Thorough experiment results demonstrate the advantage of the proposed method over the state-of-the-art. PMID:26168451

  3. A Universe without Weak Interactions

    SciTech Connect

    Harnik, Roni; Kribs, Graham D.; Perez, Gilad

    2006-04-07

    A universe without weak interactions is constructed that undergoes big-bang nucleosynthesis, matter domination, structure formation, and star formation. The stars in this universe are able to burn for billions of years, synthesize elements up to iron, and undergo supernova explosions, dispersing heavy elements into the interstellar medium. These definitive claims are supported by a detailed analysis where this hypothetical ''Weakless Universe'' is matched to our Universe by simultaneously adjusting Standard Model and cosmological parameters. For instance, chemistry and nuclear physics are essentially unchanged. The apparent habitability of the Weakless Universe suggests that the anthropic principle does not determine the scale of electroweak breaking, or even require that it be smaller than the Planck scale, so long as technically natural parameters may be suitably adjusted. Whether the multi-parameter adjustment is realized or probable is dependent on the ultraviolet completion, such as the string landscape. Considering a similar analysis for the cosmological constant, however, we argue that no adjustments of other parameters are able to allow the cosmological constant to raise up even remotely close to the Planck scale while obtaining macroscopic structure. The fine-tuning problems associated with the electroweak breaking scale and the cosmological constant therefore appear to be qualitatively different from the perspective of obtaining a habitable universe.

  4. A thermobaric instability of Lagrangian vertical coordinate ocean models

    NASA Astrophysics Data System (ADS)

    Hallberg, Robert

    Lagrangian- (and isopycnic-) vertical coordinate ocean models are subject to an exponentially growing numerical instability in weakly stratified regions when thermobaricity is not accurately compensated. Inaccurate compensation for compressibility in the pressure gradient terms leads to pressure gradient truncation errors (due to the vertical discretization) that can drive the Lagrangian coordinate surfaces to reinforce these errors. It is possible to avoid this instability while using the full non-linear equation of state for seawater by using an optimal alternate discretization of the pressure gradient terms and extracting a slowly spatially varying reference compressibility that approximates the compressibility of the ocean's mean state.

  5. Conformal Fermi Coordinates

    NASA Astrophysics Data System (ADS)

    Dai, Liang; Pajer, Enrico; Schmidt, Fabian

    2015-11-01

    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.

  6. Continual coordination of shared activities

    NASA Technical Reports Server (NTRS)

    Clement, B. J.; Barrett, A.

    2002-01-01

    Interacting agents that interleave planning and execution must reach consensus on their commitments to each other. For domains with varying degrees of interaction and different constraints on communication and computation, agents will require different coordination protocols in order to efficiently achieve their goals. ShAC (Shared Activity Coordination) is a framework for designing coordination protocols and an algorithm for continually coordinating agents using these protocols during execution. We show how a variety of protocols can be constructed using this framework and describe how ShAC coordinates two rovers and an orbiter in a simulated Mars scenario.

  7. Solvation effects in complex-forming reactions. I. The effect of solvents on complex formation between seleno and thioanisoles and iodine

    SciTech Connect

    Safin, D.Kh.; Chmutova, G.A.; Solomonov, B.N.

    1986-02-10

    The enthalpies of solution of seleno- and thioanisoles in a large group of solvents, the constants and enthalpies of complex formation between both compounds and iodine, and the spectral characteristics of the complexes in the same solvents were measured and analyzed. In chemically inert solvents there are fairly clear relationships between the spectral and thermodynamic characteristics of the obtained Mulliken-type complexes, both groups of CTC (charge-transfer complex) parameters, and the universal intermolecular interaction functions of the solvent; a series of the characteristics of the complex were analyzed in relation to the behavior of the reagents. Such correlations are not observed in coordinating solvents, but the directions of the change in the enthalpies of complex formation with variation of the solvents can be predicted.

  8. Price schedules coordination for electricity pool markets

    NASA Astrophysics Data System (ADS)

    Legbedji, Alexis Motto

    2002-04-01

    We consider the optimal coordination of a class of mathematical programs with equilibrium constraints, which is formally interpreted as a resource-allocation problem. Many decomposition techniques were proposed to circumvent the difficulty of solving large systems with limited computer resources. The considerable improvement in computer architecture has allowed the solution of large-scale problems with increasing speed. Consequently, interest in decomposition techniques has waned. Nonetheless, there is an important class of applications for which decomposition techniques will still be relevant, among others, distributed systems---the Internet, perhaps, being the most conspicuous example---and competitive economic systems. Conceptually, a competitive economic system is a collection of agents that have similar or different objectives while sharing the same system resources. In theory, constructing a large-scale mathematical program and solving it centrally, using currently available computing power can optimize such systems of agents. In practice, however, because agents are self-interested and not willing to reveal some sensitive corporate data, one cannot solve these kinds of coordination problems by simply maximizing the sum of agent's objective functions with respect to their constraints. An iterative price decomposition or Lagrangian dual method is considered best suited because it can operate with limited information. A price-directed strategy, however, can only work successfully when coordinating or equilibrium prices exist, which is not generally the case when a weak duality is unavoidable. Showing when such prices exist and how to compute them is the main subject of this thesis. Among our results, we show that, if the Lagrangian function of a primal program is additively separable, price schedules coordination may be attained. The prices are Lagrange multipliers, and are also the decision variables of a dual program. In addition, we propose a new form of augmented or nonlinear pricing, which is an example of the use of penalty functions in mathematical programming. Applications are drawn from mathematical programming problems of the form arising in electric power system scheduling under competition.

  9. Recombination, Solvation and Reaction of CN Radicals Following Ultraviolet Photolysis of ICN in Organic Solvents.

    PubMed

    Coulter, Philip; Grubb, Michael P; Koyama, Daisuke; Sazanovich, Igor V; Greetham, Gregory M; Orr-Ewing, Andrew J

    2015-12-31

    The fates of CN radicals produced by ultraviolet (UV) photolysis of ICN in various organic solvents have been examined by transient electronic and vibrational absorption spectroscopy (TEAS and TVAS). Near-UV and visible bands in the TEAS measurement enable direct observation of the CN radicals and their complexes with the solvent molecules. Complementary TVAS measurements probe the products of CN-radical reactions. Geminate recombination to form ICN and INC is a minor pathway on the 150 fs -1300 ps time scales of our experiments in the chosen organic solvents; nonetheless, large infrared transition dipole moments permit direct observation of INC that is vibrationally excited in the C≡N stretching mode. The time constants for INC vibrational cooling range from 30 ps in tetrahydrofuran (THF) to 1400 ps in more weakly interacting solvents such as chloroform. The major channel for CN removal in the organic solvents is reaction with solvent molecules, as revealed by depletion of solvent absorption bands and growth of product bands in the TVA spectra. HCN is a reaction product of hydrogen atom abstraction in most of the photoexcited solutions, and forms with vibrational excitation in both the C-H and C≡N stretching modes. The vibrational cooling rate of the C≡N stretch in HCN depends on the solvent, and follows the same trend as the cooling rate of the C≡N stretch in INC. However, in acetonitrile solution an additional reaction pathway produces C3H3N2(•) radicals, which release HCN on a much longer time scale. PMID:26634787

  10. 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.

  11. 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.

  12. 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 ...

  13. 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.

  14. Pneumatic conveying of pulverized solvent refined coal

    DOEpatents

    Lennon, Dennis R. (Allentown, PA)

    1984-11-06

    A method for pneumatically conveying solvent refined coal to a burner under conditions of dilute phase pneumatic flow so as to prevent saltation of the solvent refined coal in the transport line by maintaining the transport fluid velocity above approximately 95 ft/sec.

  15. REMEDIATION OF CONTAMINATED SOILS BY SOLVENT FLUSHING

    EPA Science Inventory

    Solvent flushing is a potential technique for remediating a waste disposal/spill site contaminated with organic chemicals. his technique involves the injection of a solvent mixture (e.g., water plus alcohols) that enhances contaminant solubility, reduces the retardation factor, a...

  16. Supercritical-Multiple-Solvent Extraction From Coal

    NASA Technical Reports Server (NTRS)

    Corcoran, W.; Fong, W.; Pichaichanarong, P.; Chan, P.; Lawson, D.

    1983-01-01

    Large and small molecules dissolve different constituents. Experimental apparatus used to test supercritical extraction of hydrogen rich compounds from coal in various organic solvents. In decreasing order of importance, relevant process parameters were found to be temperature, solvent type, pressure, and residence time.

  17. Improved Supercritical-Solvent Extraction of Coal

    NASA Technical Reports Server (NTRS)

    Compton, L.

    1982-01-01

    Raw coal upgraded by supercritical-solvent extraction system that uses two materials instead of one. System achieved extraction yields of 20 to 49 weight percent. Single-solvent yields are about 25 weight percent. Experimental results show extraction yields may be timedependent. Observed decreases in weight of coal agreed well with increases in ash content of residue.

  18. SOLVENT-FREE ORGANIC SYNTHESES USING MICROWAVES

    EPA Science Inventory

    The latest results on microwave-expedited solvent-free approach as applied to the assembly of organic molecules will be presented. The salient features of this expeditious methodology such as solvent conservation and ease of manipulation etc. will be described in the context of r...

  19. Remediating pesticide contaminated soils using solvent extraction

    SciTech Connect

    Sahle-Demessie, E.; Meckes, M.C.; Richardson, T.L.

    1996-12-31

    Bench-scale solvent extraction studies were performed on soil samples obtained from a Superfund site contaminated with high levels of p,p{prime}-DDT, p,p{prime}-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 decrease pesticide levels in the soil by more than 99% and reduce the volume of material requiring further treatment by 25 times or more. The high solubility of the pesticides in methanol resulted in rapid extraction rates, with the system reaching quasi-equilibrium state in 30 minutes. The extraction efficiency was influenced by the number of extraction stages, the solvent-to-soil ratio, and the soil moisture content. Various methods were investigated to regenerate and recycle the solvent. Evaporation and solvent stripping are low cost and reliable methods for removing high pesticide concentrations from the solvent. For low concentrations, GAC adsorption may be used. Precipitating and filtering pesticides by adding water to the methanol/pesticide solution was not successful when tested with soil extracts. 26 refs., 10 figs., 6 tabs.

  20. 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...

  1. SAFETY OF ORGANIC SOLVENTS IN WASTE TANKS

    SciTech Connect

    Van Tuyl, H. H.

    1983-08-01

    This report addresses flash points and flammability limits of flammable gases found in waste tanks, primarily hydrocarbon mixtures derived from waste solvents. The effect of vapor pressure is discussed. Particular attention is given to Purex solvent. The pertinent facts are then applied to the safety of the waste tanks of concern.

  2. 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...

  3. 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...

  4. 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...

  5. REMEDIATION OF CONTAMINATED SOILS BY SOLVENT FLUSHING

    EPA Science Inventory

    Solvent flushing is a potential technique for remediating a waste disposal/spill site contaminated with organic chemicals. This technique involves the injection of a solvent mixture (e.g., water plus alcohols) that enhances contaminant solubility, reduces the retardation factor, ...

  6. 7 CFR 624.5 - Coordination.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... coordinate assistance. In this situation, NRCS will assume the lead, provide assistance, and coordinate work..., provide assistance and coordinate work with the appropriate State office of emergency preparedness...

  7. 7 CFR 624.5 - Coordination.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... coordinate assistance. In this situation, NRCS will assume the lead, provide assistance, and coordinate work..., provide assistance and coordinate work with the appropriate State office of emergency preparedness...

  8. Characterization of Nanoparticles by Solvent Infrared Spectroscopy.

    PubMed

    Kiefer, Johannes; Grabow, Janet; Kurland, Heinz-Dieter; Müller, Frank A

    2015-12-15

    The characterization of the surface chemistry of nanoparticles using infrared spectroscopy of adsorbed solvents is proposed. In conventional IR spectroscopy of nanomaterials the capability of characterizing the chemistry of the surface is limited. To overcome these limitations, we record IR spectra of different solvents inside a fixed bed of the nanopowder to be tested. Using water and different alcohols as solvents enables the characterization of the nanomaterial's surface chemistry via the molecular interactions affecting the hydrogen-bonding network in the solvent. Different ceramic nanopowders (titania, two different iron oxides, and iron oxide nanocrystallites embedded in a closed silica matrix) are studied using water, ethanol, and n-butanol as solvents. The OH stretching region of the IR spectra reveals characteristic differences in the surface chemistry of the nanoparticles. The proposed method is fast and straightforward, and hence, it can be a versatile tool for rapid screening. PMID:26593634

  9. Toxic hepatitis in occupational exposure to solvents

    PubMed Central

    Malaguarnera, Giulia; Cataudella, Emanuela; Giordano, Maria; Nunnari, Giuseppe; Chisari, Giuseppe; Malaguarnera, Mariano

    2012-01-01

    The liver is the main organ responsible for the metabolism of drugs and toxic chemicals, and so is the primary target organ for many organic solvents. Work activities with hepatotoxins exposures are numerous and, moreover, organic solvents are used in various industrial processes. Organic solvents used in different industrial processes may be associated with hepatotoxicity. Several factors contribute to liver toxicity; among these are: species differences, nutritional condition, genetic factors, interaction with medications in use, alcohol abuse and interaction, and age. This review addresses the mechanisms of hepatotoxicity. The main pathogenic mechanisms responsible for functional and organic damage caused by solvents are: inflammation, dysfunction of cytochrome P450, mitochondrial dysfunction and oxidative stress. The health impact of exposure to solvents in the workplace remains an interesting and worrying question for professional health work. PMID:22719183

  10. Network Coordinator Report

    NASA Technical Reports Server (NTRS)

    Himwich, Ed; Strand, Richard

    2013-01-01

    This report includes an assessment of the network performance in terms of lost observing time for the 2012 calendar year. Overall, the observing time loss was about 12.3%, which is in-line with previous years. A table of relative incidence of problems with various subsystems is presented. The most significant identified causes of loss were electronics rack problems (accounting for about 21.8% of losses), antenna reliability (18.1%), RFI (11.8%), and receiver problems (11.7%). About 14.2% of the losses occurred for unknown reasons. New antennas are under development in the USA, Germany, and Spain. There are plans for new telescopes in Norway and Sweden. Other activities of the Network Coordinator are summarized.

  11. Classical field approach to quantum weak measurements.

    PubMed

    Dressel, Justin; Bliokh, Konstantin Y; Nori, Franco

    2014-03-21

    By generalizing the quantum weak measurement protocol to the case of quantum fields, we show that weak measurements probe an effective classical background field that describes the average field configuration in the spacetime region between pre- and postselection boundary conditions. The classical field is itself a weak value of the corresponding quantum field operator and satisfies equations of motion that extremize an effective action. Weak measurements perturb this effective action, producing measurable changes to the classical field dynamics. As such, weakly measured effects always correspond to an effective classical field. This general result explains why these effects appear to be robust for pre- and postselected ensembles, and why they can also be measured using classical field techniques that are not weak for individual excitations of the field. PMID:24702338

  12. Coordinating Group report

    SciTech Connect

    Not Available

    1994-01-01

    In December 1992, western governors and four federal agencies established a Federal Advisory Committee to Develop On-site Innovative Technologies for Environmental Restoration and Waste Management (the DOIT Committee). The purpose of the Committee is to advise the federal government on ways to improve waste cleanup technology development and the cleanup of federal sites in the West. The Committee directed in January 1993 that information be collected from a wide range of potential stakeholders and that innovative technology candidate projects be identified, organized, set in motion, and evaluated to test new partnerships, regulatory approaches, and technologies which will lead to improve site cleanup. Five working groups were organized, one to develop broad project selection and evaluation criteria and four to focus on specific contaminant problems. A Coordinating Group comprised of working group spokesmen and federal and state representatives, was set up to plan and organize the routine functioning of these working groups. The working groups were charged with defining particular contaminant problems; identifying shortcomings in technology development, stakeholder involvement, regulatory review, and commercialization which impede the resolution of these problems; and identifying candidate sites or technologies which could serve as regional innovative demonstration projects to test new approaches to overcome the shortcomings. This report from the Coordinating Group to the DOIT Committee highlights the key findings and opportunities uncovered by these fact-finding working groups. It provides a basis from which recommendations from the DOIT Committee to the federal government can be made. It also includes observations from two public roundtables, one on commercialization and another on regulatory and institutional barriers impeding technology development and cleanup.

  13. Weak Hopf algebras corresponding to Cartan matrices

    NASA Astrophysics Data System (ADS)

    Yang, Shilin

    2005-07-01

    We replace the group of grouplike elements of the quantized enveloping algebra Uq(g) of a finite dimensional semisimple Lie algebra g by some regular monoid and get the weak Hopf algebra wqd(g). It is a subclass of weak Hopf algebras but not Hopf algebras. Then we devote to constructing a basis of wqd(g) and determine the group of weak Hopf algebra automorphisms of wqd(g) when q is not a root of unity.

  14. Spin effects in the weak interaction

    SciTech Connect

    Freedman, S.J. Chicago Univ., IL . Dept. of Physics Chicago Univ., IL . Enrico Fermi Inst.)

    1990-01-01

    Modern experiments investigating the beta decay of the neutron and light nuclei are still providing important constraints on the theory of the weak interaction. Beta decay experiments are yielding more precise values for allowed and induced weak coupling constants and putting constraints on possible extensions to the standard electroweak model. Here we emphasize the implications of recent experiments to pin down the strengths of the weak vector and axial vector couplings of the nucleon.

  15. Synthesis, structure and spectroscopic properties of two new trinuclear nickel(II) clusters possessing solvent effect

    NASA Astrophysics Data System (ADS)

    Dong, Wen-Kui; Chen, Xiao; Sun, Yin-Xia; Yang, Yu-Hua; Zhao, Li; Xu, Li; Yu, Tian-Zhi

    2009-10-01

    Two solvent-induced trinuclear nickel(II) clusters, [{NiL(CH 3OH)} 2(OAc) 2Ni]2CH 3OH ( I) and [{NiL(C 2H 5OH)} 2(OAc) 2Ni]2C 2H 5OH ( II), have been synthesized by the reaction of a new Salen-type bisoxime chelating ligand of 5,5'-di( N, N'-diethylamino)-2,2'-[(1,3-propylene)dioxybis(nitrilomethylidyne)]diphenol (H 2L) with nickel(II) acetate tetrahydrate in different solvents. Clusters I and II were characterized by elemental analyses, IR spectra, UV-vis absorption spectra, TG-DTA and X-ray diffraction methods. In clusters I (or II), there are two ligand moieties (which provide N 2O 2 donors), two acetate ions, two coordinated methanol (or ethanol) molecules and two crystallizing methanol (or ethanol) molecules, which result in the formation of three slightly distorted octahedral geometries around Ni(II) ions. Interestingly, nickel(II) ions in the structures of clusters I and II are all six-coordinated geometry, but clusters I and II are grown up in different solvent. Right because of this, solvent effect cause to their different crystal structures.

  16. PARIS II: Computer Aided Solvent Design for Pollution Prevention

    EPA Science Inventory

    This product is a summary of U.S. EPA researchers' work developing the solvent substitution software tool PARIS II (Program for Assisting the Replacement of Industrial Solvents, version 2.0). PARIS II finds less toxic solvents or solvent mixtures to replace more toxic solvents co...

  17. 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.

  18. Solvent fermentations of pulp streams and their constituents

    SciTech Connect

    Griffith, W.L.; Compere, A.L.

    1984-01-01

    A number of industrial solvents, including C/sub 2/ to C/sub 5/ mono- and di-hydric alcohols and corresponding ketones, can be made by bacterial fermentation of pulp streams and their constituent carbohydrates. Most of these fermentations are reported to have been performed by members of the genus Clostridium, obligate gram positive anaerobic bacilli, although some, generally dihydric alcohol fermentations, are performed by Klebsiella. Solvents fermentations have been used historically since 1916, with periods of concentrated industrial development coinciding with major wars. Historically, the fermentation feedstocks have varied to include most of the common grains, vegetables, fruits, and nuts; however, the bacterial strains used for these fermentations are able to metabolize the materials found in pulping streams ranging from weak acid sulfite liquor to wood hydrolyzate to cellulose. It appears that these organisms will be likely to find use as fermentation agents for various wood and pulp streams with appropriate strain and bioprocess development. Methods for selecting and maintaining cultures are discussed.

  19. 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

  20. Solvent effects in polyelectrolyte adsorption: Computer simulations with explicit and implicit solvent

    NASA Astrophysics Data System (ADS)

    Reddy, Govardhan; Yethiraj, Arun

    2010-02-01

    The adsorption of strongly charged polyelectrolyte chains to an oppositely charged planar surface is studied using computer simulation. In addition to an explicit solvent model, two implicit solvent models are considered: one where the solvent induces an implicit Lennard-Jones (ILJ) interaction between polymer sites and one where the solvent induces a many body interaction that depends on the solvent accessible surface area (SASA) of the monomers. Molecular and Brownian dynamics simulations are reported for the explicit and implicit solvent models, respectively. All three models give similar results for the adsorption of the chains in good solvent. The electrostatic attraction between the surface and the polymers is not sufficient to drive the strong adsorption that is seen in experiments. In poor solvents, the models give different results for the adsorption excess and the mechanism for polyelectrolyte adsorption. With explicit solvent, thick adsorbed layers are formed at both charged and neutral surfaces. With the SASA model, adsorbed layers are formed on the charged but not on the neutral surface. With the ILJ model, adsorbed layers are not formed on any surfaces. The results show that the solvent plays a dominant role in the adsorption of polyelectrolytes under poor solvent conditions and that many-body solvent effects have a qualitative effect on the adsorption characteristics and mechanism. In particular, SASA and depletion effects could possibly play an important role; the former can be incorporated in the SASA model, but the latter cannot. The results suggest that accurate computational models for polymer adsorption under poor solvent conditions must incorporate the solvent explicitly.

  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. 78 FR 73819 - Forest Resource Coordinating Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-09

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of...-18, 2013 meeting of the Forest Resource Coordinating Committee due to the Government partial shutdown... INFORMATION CONTACT: Maya Solomon, Forest Resource Coordinating Committee Program Coordinator; by phone...

  3. Fault zone fabric and fault weakness.

    PubMed

    Collettini, Cristiano; Niemeijer, Andr; Viti, Cecilia; Marone, Chris

    2009-12-17

    Geological and geophysical evidence suggests that some crustal faults are weak compared to laboratory measurements of frictional strength. Explanations for fault weakness include the presence of weak minerals, high fluid pressures within the fault core and dynamic processes such as normal stress reduction, acoustic fluidization or extreme weakening at high slip velocity. Dynamic weakening mechanisms can explain some observations; however, creep and aseismic slip are thought to occur on weak faults, and quasi-static weakening mechanisms are required to initiate frictional slip on mis-oriented faults, at high angles to the tectonic stress field. Moreover, the maintenance of high fluid pressures requires specialized conditions and weak mineral phases are not present in sufficient abundance to satisfy weak fault models, so weak faults remain largely unexplained. Here we provide laboratory evidence for a brittle, frictional weakening mechanism based on common fault zone fabrics. We report on the frictional strength of intact fault rocks sheared in their in situ geometry. Samples with well-developed foliation are extremely weak compared to their powdered equivalents. Micro- and nano-structural studies show that frictional sliding occurs along very fine-grained foliations composed of phyllosilicates (talc and smectite). When the same rocks are powdered, frictional strength is high, consistent with cataclastic processes. Our data show that fault weakness can occur in cases where weak mineral phases constitute only a small percentage of the total fault rock and that low friction results from slip on a network of weak phyllosilicate-rich surfaces that define the rock fabric. The widespread documentation of foliated fault rocks along mature faults in different tectonic settings and from many different protoliths suggests that this mechanism could be a viable explanation for fault weakening in the brittle crust. PMID:20016599

  4. Environmental Impacts on Nuclear Reprocessing Solvents

    NASA Astrophysics Data System (ADS)

    Gillens, A. R.; Fessenden, J. E.

    2009-12-01

    Nuclear tests have been employed ever since the first nuclear explosion in Alamogordo, NM during the mid-1940s. Nuclear weapons pose a threat to civil society and result in extensive biological (medical) damages. For this reason, treaties banning nuclear tests and weapons have been employed since the 1960s to cease proliferation of weapons. However, as nuclear tests continue in secrecy and actinides, such as plutonium and uranium, are eligible for theft, nuclear forensics is needed to prevent weapons proliferation. In this study, solvents [tributyl phosphate (TBP), dodecane, decanol] used in reprocessing spent nuclear fuel are analyzed using an isotope ratio mass spectrometer, which provides indisputable evidence in identifying the operation in which solvents were used. Solvent samples are observed under variable conditions in the laboratory for different time periods. It is assumed that their carbon isotope values (δ13C) will become more positive (shift heavy) with time. It is found that the solvents are hygroscopic. TBP leaves the most robust signature compared to the other solvents studied and the isotope values for all solvents under all conditions become more positive with time. This study serves as primary research in understanding how solvents behave under variable conditions in the laboratory and how this could be translated to the environment in fate and transport studies.

  5. Auditory dysfunction associated with solvent exposure

    PubMed Central

    2013-01-01

    Background A number of studies have demonstrated that solvents may induce auditory dysfunction. However, there is still little knowledge regarding the main signs and symptoms of solvent-induced hearing loss (SIHL). The aim of this research was to investigate the association between solvent exposure and adverse effects on peripheral and central auditory functioning with a comprehensive audiological test battery. Methods Seventy-two solvent-exposed workers and 72 non-exposed workers were selected to participate in the study. The test battery comprised pure-tone audiometry (PTA), transient evoked otoacoustic emissions (TEOAE), Random Gap Detection (RGD) and Hearing-in-Noise test (HINT). Results Solvent-exposed subjects presented with poorer mean test results than non-exposed subjects. A bivariate and multivariate linear regression model analysis was performed. One model for each auditory outcome (PTA, TEOAE, RGD and HINT) was independently constructed. For all of the models solvent exposure was significantly associated with the auditory outcome. Age also appeared significantly associated with some auditory outcomes. Conclusions This study provides further evidence of the possible adverse effect of solvents on the peripheral and central auditory functioning. A discussion of these effects and the utility of selected hearing tests to assess SIHL is addressed. PMID:23324255

  6. 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

  7. 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.

  8. Effect of solvent characteristics on coal liquefaction

    SciTech Connect

    Huang, He; Wang, Shaojie; Wang, Keyu; Klein, M.T.; Calkins, W.H.

    1996-12-31

    It has been known for a long time that the characteristics of the liquefaction solvent has a profound effect on direct coal liquefaction. The amount of hydrogen consumed during the liquefaction process, the degree and quantity of retrograde reactions that occur, and the quality of the liquid products are all influenced by the process solvent. A number of analytical approaches have been developed to determine the important characteristics of the solvent for coal liquefaction. The hydrogen donor ability has clearly been important. However, such other characteristics of a liquefaction solvent as solubility parameter, content and type of higher aromatic hydrocarbons, and phenolic content have also been found to be significant. Finseth et al. have shown that the bulk of the hydrogen consumed from an uncatalyzed donor solvent liquefaction above 400{degrees}C is consumed in gas generation, heteroatom removal and hydrogenolysis of the coal matrix. Wilson et al. have also shown that the major role of hydrogen in uncatalyzed liquefaction is consumed by alkyl fission and hydrogenolysis reactions and not with hydrogenating aromatic rings. McMillan et al. have postulated that a radical hydrogen transfer process along with donor solvent capping of thermally produced radicals from the coal as possible processes involved with the hydroaromatic donor solvents in coal liquefaction. With the development of a short contact time batch reactor (SCTBR), determining the influence of the processing solvent on the liquefaction rates, conversion profiles and the quality of the liquid product at a particular time became possible. The influence of type of solvent, combined with other effects, such as gas atmosphere (i.e., in hydrogen and in nitrogen) and catalyst, on the coal liquefaction is reported in this paper.

  9. Early Intervention Service Coordination Models and Service Coordinator Practices

    ERIC Educational Resources Information Center

    Dunst, Carl J.; Bruder, Mary Beth

    2006-01-01

    The relationship between three different service coordinator models (dedicated and independent, dedicated but not independent, and blended) and the use of nine different service coordinator practices was examined in a study of families of infants and toddlers enrolled in the IDEA Part C early intervention program. Results showed that service

  10. 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...

  11. 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.

  12. Coal liquefaction with coal tar solvent

    SciTech Connect

    Gir, S.; Rhodes, D.E.

    1986-12-16

    A method is described of liquefying coal, comprising: mixing solid coal with a process solvent comprising coal tar material which has been at least partially hydrogenated under conditions which selectively hydrogenate aromatic coal tar components to hydroaromatics and which preserve the integrity of organonitrogen coal tar components, to produce a coal-solvent slurry; treating the coal-solvent slurry under coal-liquefying conditions in a liquefaction zone to produce a solution containing coal liquefaction products; and recovering coal liquefaction products from the solution.

  13. 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.

  14. 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.

  15. 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.

  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. Firing of pulverized solvent refined coal

    DOEpatents

    Lennon, Dennis R. (Allentown, PA); Snedden, Richard B. (McKeesport, PA); Foster, Edward P. (Macungie, PA); Bellas, George T. (Library, PA)

    1990-05-15

    A burner for the firing of pulverized solvent refined coal is constructed and operated such that the solvent refined coal can be fired successfully without any performance limitations and without the coking of the solvent refined coal on the burner components. The burner is provided with a tangential inlet of primary air and pulverized fuel, a vaned diffusion swirler for the mixture of primary air and fuel, a center water-cooled conical diffuser shielding the incoming fuel from the heat radiation from the flame and deflecting the primary air and fuel steam into the secondary air, and a watercooled annulus located between the primary air and secondary air flows.

  18. 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.

  19. CP Violation, Neutral Currents, and Weak Equivalence

    DOE R&D Accomplishments Database

    Fitch, V. L.

    1972-03-23

    Within the past few months two excellent summaries of the state of our knowledge of the weak interactions have been presented. Correspondingly, we will not attempt a comprehensive review but instead concentrate this discussion on the status of CP violation, the question of the neutral currents, and the weak equivalence principle.

  20. Staggering towards a calculation of weak amplitudes

    SciTech Connect

    Sharpe, S.R.

    1988-09-01

    An explanation is given of the methods required to calculate hadronic matrix elements of the weak Hamiltonians using lattice QCD with staggered fermions. New results are presented for the 1-loop perturbative mixing of the weak interaction operators. New numerical techniques designed for staggered fermions are described. A preliminary result for the kaon B parameter is presented. 24 refs., 3 figs.

  1. Ulysses: UVCS Coordinated Observations

    NASA Technical Reports Server (NTRS)

    Suess, S. T.; Poletto, G.; Corti, G.; Simnett, G.; Noci, G.; Romoli, M.; Kohl, J.; Goldstein, B.

    1998-01-01

    We present results from coordinated observations in which instruments on Solar and Heliospheric Observatory (SOHO) and Ulysses were used to measure the density and flow speed of plasma at the Sun and to again measure the same properties of essentially the same plasma in the solar wind. Plasma was sampled by Ultraviolet Coronagraph Spectrometer (UVCS) at 3.5 and 4.5 solar radii and by Ulysses/SWOOPS at 5 AU. Data were acquired during a nearly 2 week period in May-June 1997 at a latitude of 9-10 degrees north of the equator, on the east limb and, hence, in the streamer belt and the source location of slow wind. Density and outflow speed are compared, in order to check for preservation of the near Sun characteristics in the interplanetary medium. By chance, Ulysses was at the very northern edge of the visible streamer belt. Nevertheless, no evidence of fast wind, or mixing with fast wind coming from the northern polar coronal hole, was evident at Ulysses. The morphology of the streamer belt was similar at the beginning and end of the observation period, but was markedly different during the middle of the period. A corresponding change in density (but not flow speed) was noted at Ulysses.

  2. [University training for coordinators].

    PubMed

    Gotti, G

    2006-01-01

    We need an adequate quality level of information between the building design and manufacturing process for Health and Safety in the work site. A fully-developed communication system is needed, for H&S Coordinators, in order to integrate alphanumerical and graphical protocols. The Aim is: (1) to organise information on the building process, keeping communications in function of everyone's needs; (2) to carry out an audit process ensuring that all levels of contractors personnel are implementing the Project of Health and Safety Management Plan effectively; (3) To make all that with a Program Interface relatively simple. The synergy between Safety Manager and Designers generates a system output integrating all sorts of alphanumerical, graphical information and prescriptions. This system output has several targets: (1) to integrate Design and H&S in a specific Data-Base; (2) to define the preconditions of the work phases; (3) to develop the Work Program of Enterprise in function of the Health and Safety Plan in compliance with the contractor site-specific plan; (4) to develop a program process for the audit; (5) to review the contractor's Project for H & S; (6) to manage responsibility; (7) to keep corrective action. PMID:16718930

  3. Distribution of solvent molecules around apolar side-chains in protein crystals.

    PubMed

    Walshaw, J; Goodfellow, J M

    1993-05-20

    We have analysed the distribution of solvent sites within 5.0 A of the apolar side-chains alanine, valine, leucine, isoleucine and phenylalanine based on experimental data from 24 high-resolution protein structures. Clustering of solvent molecules into specific regions can be seen superimposed on a broad background of sites. The non-random nature of these distributions is confirmed by quantitative analysis of the solvent sites according to a spherical polar (r, theta and phi) co-ordinate system with the apolar atom of interest at the centre. One of the general features of these solvent sites is that they peak at around 4.0 A from an apolar protein carbon atom. Preferences in orientation (theta and phi) are also seen in the solvent distributions especially around the alanine CB atom and the phenylalanine ring. Most (around 75%) of the solvent sites around apolar groups are also within hydrogen bonding distance of protein (main chain) polar groups which leads to a distribution dependent on the local secondary structure. The remaining 25% of solvent sites are referred to as "non-polar" water molecules and their crystallographic temperature factors are higher than average by between 15% to 28%. For alanine and phenylalanine there are enough data to show that water molecules not within hydrogen bonding distance of protein polar atoms also cluster into specific regions. However, the main conclusion appears to be that the hydrophobic hydration in protein crystals is correlated with hydration of polar groups and thus depends on the local environment as well as on the stereochemistry of the apolar atoms. PMID:8510154

  4. Nonlinear response of a linear chain to weak driving

    NASA Astrophysics Data System (ADS)

    Hennig, D.; Mulhern, C.; Burbanks, A. D.; Schimansky-Geier, L.

    2014-01-01

    We study the escape of a chain of coupled units over the barrier of a metastable potential. It is demonstrated that a very weak external driving field with a suitably chosen frequency suffices to accomplish speedy escape. The latter requires passage through a transition state, the formation of which is triggered by permanent feeding of energy from a phonon background into humps of localized energy and elastic interaction of the arising breather solutions. In fact, cooperativity between the units of the chain entailing coordinated energy transfer is shown to be crucial for enhancing the rate of escape in an extremely effective and low-energy cost way where the effects of entropic localization and breather coalescence conspire.

  5. Origin of weak magnetism in compounds with cubic laves structure.

    PubMed

    Torun, E; Janner, A; de Groot, R A

    2016-02-17

    The origin of the weak itinerant magnetism in materials such as TiBe2 and ZrZn2 is investigated. The huge peak in the density of states at the Fermi energy is attributed to a special symmetry of the C15 structure: no crystal field splitting of the d levels occurs in the case of coordination by spherical ligands. Crystal field splitting is also investigated for the f orbitals in C15 structures such as PuZn2 and ThMg2. It is observed that the situation in f levels is more complicated than the d levels because the characteristics of the crystal field splitting for f levels does not only depend on the the local point symmetry of the compounds. PMID:26795899

  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. Implicit solvent methods for free energy estimation

    PubMed Central

    Decherchi, Sergio; Masetti, Matteo; Vyalov, Ivan; Rocchia, Walter

    2014-01-01

    Solvation is a fundamental contribution in many biological processes and especially in molecular binding. Its estimation can be performed by means of several computational approaches. The aim of this review is to give an overview of existing theories and methods to estimate solvent effects giving a specific focus on the category of implicit solvent models and their use in Molecular Dynamics. In many of these models, the solvent is considered as a continuum homogenous medium, while the solute can be represented at the atomic detail and at different levels of theory. Despite their degree of approximation, implicit methods are still widely employed due to their trade-off between accuracy and efficiency. Their derivation is rooted in the statistical mechanics and integral equations disciplines, some of the related details being provided here. Finally, methods that combine implicit solvent models and molecular dynamics simulation, are briefly described. PMID:25193298

  8. Wetting of polymers by their solvents.

    PubMed

    Lequeux, François; Talini, Laurence; Verneuil, Emilie; Delannoy, Guillaume; Valois, Pauline

    2016-02-01

    We review the studies on the wetting of soluble polymeric substrates by their solvents, both in the literature and conducted in our group in the past decade. When a droplet of solvent spreads on a soluble polymer layer, its wetting angle can strongly vary with the contact line velocity even at capillary numbers smaller than unity, in contrast to non-soluble substrates. The solvent content in the polymer is a key parameter for the spreading dynamics; that content is set by the initial conditions, but also by the transfers occurring from the droplet to the polymer layer during spreading. We focus on hydrophilic amorphous polymers that are glassy at room temperature, and we discuss the consequences on wetting of the very large changes in the polymer physical properties induced by solvent sorption. We finally present new results on polymers of varying molar masses, and show how they open new perspectives for a better understanding of powder dissolution. PMID:26920515

  9. 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...

  10. "Solvent Effects" in 1H NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Cavaleiro, Jose A. S.

    1987-01-01

    Describes a simple undergraduate experiment in chemistry dealing with the "solvent effects" in nuclear magnetic resonance (NMR) spectroscopy. Stresses the importance of having students learn NMR spectroscopy as a tool in analytical chemistry. (TW)

  11. Volatile Solvent Use among Western Australian Adolescents.

    ERIC Educational Resources Information Center

    Carroll, Annemaree; Houghton, Stephen; Odgers, Peta

    1998-01-01

    Semistructured interviews were conducted with 40 adolescents who reported inhaling volatile solvents. All were aware of the short-term health risks involved in use, and most reported experiencing ill effects. Offers suggestions for intervention. (Author/GCP)

  12. Modelling the effect of solvents on carbohydrates

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Carbohydrates are polar molecules and their conformational and anomeric equilibrium can be strongly influenced by solvents. This review provides examples of studies addressing different issues of glycochemistry, such as anomeric equilibrium, conformational changes in rings, modelling of inter-residu...

  13. 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...

  14. Innovative Technologies for Chlorinated Solvent Remediation

    NASA Astrophysics Data System (ADS)

    Pennell, Kurt D.; Cpiro, 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

  15. [Shoe factory workers, solvents and health].

    PubMed

    Fo, Vito; Martinotti, Irene

    2012-01-01

    Exposure to organic solvents in footwear manufacturing industry came from the glues used adhering the shoe parts to each other. Benzene was the first solvent used in shoe factories until the evidence of its capacity to cause leukaemia. Then, the demonstration that exposure to n-hexane was related to distal polyneuropathy limited the use of this substance. After that, results of neurotoxicological studies conducted on workers exposed to different mixtures of organic solvents make necessary prevention measure directed to a progressive reduction of air dispersion of these chemicals. Today exposure to solvents in workplaces is regulated by health based exposure limit values that should warranty absence of central nervous system effects. One of the most important rules of occupational medicine is verify that these exposure levels are really health protective also for workers with increased susceptibility. PMID:22697025

  16. SOLVENT-FREE ORGANIC SYNTHESES USING MICROWAVES

    EPA Science Inventory

    An expeditious solvent-free approach for organic synthesis is described which involves simple exposure of neat reactants to microwave (MW) irradiation. A variety of cleavage, condensation, cyclization, oxidation and reduction reactions will be presented including the efficient o...

  17. 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.

  18. Drift Hamiltonian in magnetic coordinates

    SciTech Connect

    White, R.B.; Boozer, A.H.; Hay, R.

    1982-02-01

    A Hamiltonian formulation of the guiding-center drift in arbitrary, steady state, magnetic and electric fields is given. The canonical variables of this formulation are simply related to the magnetic coordinates. The modifications required to treat ergodic magnetic fields using magnetic coordinates are explicitly given in the Hamiltonian formulation.

  19. Coordinated Transportation: Problems and Promise?

    ERIC Educational Resources Information Center

    Fickes, Michael

    1998-01-01

    Examines the legal, administrative, and logistical barriers that have prevented the wide acceptance of coordinating community and school transportation services and why these barriers may be breaking down. Two examples of successful implementation of coordinated transportation are examined: employing a single system to serve all transportation

  20. Coordinate-Free Rotation Operator.

    ERIC Educational Resources Information Center

    Leubner, C.

    1979-01-01

    Suggests the use of a coordinate-free rotation operator for the teaching of rotations in Euclidean three space because of its twofold didactic advantage. Illustrates the potentialities of the coordinate-free rotation operator approach by a number of examples. (Author/GA)

  1. Fuzzy coordinator in control problems

    NASA Technical Reports Server (NTRS)

    Rueda, A.; Pedrycz, W.

    1992-01-01

    In this paper a hierarchical control structure using a fuzzy system for coordination of the control actions is studied. The architecture involves two levels of control: a coordination level and an execution level. Numerical experiments will be utilized to illustrate the behavior of the controller when it is applied to a nonlinear plant.

  2. The K-12 Technology Coordinator

    ERIC Educational Resources Information Center

    Lesisko, Lee James

    2005-01-01

    The Pennsylvania Department of Education requires Technology Coordinators employed by public school districts in the Commonwealth to be properly certified. The Technology Coordinator is responsible to implement instructional technology for the district, provide leadership in the use of technological delivery systems, and routinely work directly

  3. Coordination challenges for autonomous spacecraft

    NASA Technical Reports Server (NTRS)

    Clement, B. J.; Barrett, A.

    2002-01-01

    While past flight projects involved a single spacecraft in isolation, over forty proposed future missions involve multiple coordinated spacecraft. This paper presents characteristics of such missions in terms of properties of the phenomena being measured as well as the rationale for using multiple spacecraft. We describe the coordination problems associated with operating these missions and identify needed technologies.

  4. Weak Solutions of the Cohomological Equation on ? 2 {mathbb {R}}(2) for Regular Vector Fields

    NASA Astrophysics Data System (ADS)

    De Leo, Roberto

    2015-12-01

    In a recent article (De Leo, R., Ann. Glob. Anal. Geom., 39, 3, 231-248 2011), we studied the global solvability of the so-called cohomological equation L ? f = g in , where ? is a regular vector field on the plane and L ? the corresponding Lie derivative operator. In a joint article with T. Gramchev and A. Kirilov (2011), we studied the existence of global weak solutions of the cohomological equation for planar vector fields depending only on one coordinate. Here we generalize the results of both articles by providing explicit conditions for the existence of global weak solutions to the cohomological equation when ? is intrinsically Hamiltonian or of finite type.

  5. Hydrogen recovery by novel solvent systems

    SciTech Connect

    Shinnar, R.; Ludmer, Z.; Ullmann, A.

    1991-08-01

    The objective of this work is to develop a novel method for purification of hydrogen from coal-derived synthesis gas. The study involved a search for suitable mixtures of solvents for their ability to separate hydrogen from the coal derived gas stream in significant concentration near their critical point of miscibility. The properties of solvent pairs identified were investigated in more detail to provide data necessary for economic evaluation and process development.

  6. Biofiltration of solvent vapors from air

    SciTech Connect

    Oh, Young-sook.

    1993-01-01

    For various industrial solvent vapors, biofiltration promises to offer a cost-effective emission control technology. Exploiting the full potential of this technology will help attain the goals of the Clean Air Act Amendments of 1990. Concentrating on large volumes of volatile industrial solvents, stable multicomponent microbial enrichments capable of growing a mineral medium with solvent vapors as their only source of carbon and energy were obtained from soil and sewage sludge. These consortia were immobilized on an optimized porous solid support (ground peat moss and perlite). The biofilter material was packed in glass columns connected to an array of pumps and flow meters that allowed the independent variation of superficial velocity and solvent vapor concentrations. In various experiments, single solvents, such as methanol, butanol, acetonitrile, hexane and nitrobenzene, and solvent mixtures, such as benzene-toluene-xylene (BTX) and chlorobenzene-o-dichlorobenzene (CB/DCB) were biofiltered with rates ranging from 15 to334 g solvent removed per m[sup 3] filter volume /h. Pressure drops were low to moderate (0-10 mmHg/m) and with periodic replacement of moisture, the biofiltration activity could be maintained for a period of several months. The experimental data on methanol biofiltration were subjected to mathematical analysis and modeling by the group of Dr. Baltzis at NJIT for a better understanding and a possible scale up of solvent vapor biofilters. In the case of chlorobenzenes and nitrobenzene, the biofilter columns had to be operated with water recirculation in a trickling filter mode. To prevent inactivation of the trickling filter by acidity during CB/DCB removal, pH control was necessary, and the removal rate of CB/DCB was strongly influenced by the flow rate of the recyling water. Nitrobenzene removal in a trickling filter did not require pH control, since the nitro group was reduced and volatilized as ammonia.

  7. Method of stripping metals from organic solvents

    DOEpatents

    Todd, Terry A.; Law, Jack D.; Herbst, R. Scott; Romanovskiy, Valeriy N.; Smirnov, Igor V.; Babain, Vasily A.; Esimantovski, Vyatcheslav M.

    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.

  8. Water as a Solvent for Life

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Pratt, Lawrence R.

    2015-01-01

    "Follow the water" is our basic strategy in searching for life in the universe. The universality of water as the solvent for living systems is usually justified by arguing that water supports the rich organic chemistry that seeds life, but alternative chemistries are possible in other organic solvents. Here, other, essential criteria for life that have not been sufficiently considered so far, will be discussed.

  9. Process for solvent refining of coal using a denitrogenated and dephenolated solvent

    DOEpatents

    Garg, Diwakar (Macungie, PA); Givens, Edwin N. (Bethlehem, PA); Schweighardt, Frank K. (Allentown, PA)

    1984-01-01

    A process is disclosed for the solvent refining of non-anthracitic coal at elevated temperatures and pressure in a hydrogen atmosphere using a hydrocarbon solvent which before being recycled in the solvent refining process is subjected to chemical treatment to extract substantially all nitrogenous and phenolic constituents from the solvent so as to improve the conversion of coal and the production of oil in the solvent refining process. The solvent refining process can be either thermal or catalytic. The extraction of nitrogenous compounds can be performed by acid contact such as hydrogen chloride or fluoride treatment, while phenolic extraction can be performed by caustic contact or contact with a mixture of silica and alumina.

  10. Spectrum of Mathematical Weaknesses: Related Neuropsychological Correlates.

    PubMed

    Perna, Robert; Loughan, Ashlee R; Le, Jessica; Hertza, Jeremy; Cohen, Morris J

    2015-01-01

    Math disorders have been recognized for as long as language disorders yet have received far less research. Mathematics is a complex construct and its development may be dependent on multiple cognitive abilities. Several studies have shown that short-term memory, working memory, visuospatial skills, processing speed, and various language skills relate to and may facilitate math development and performance. The hypotheses explored in this research were that children who performed worse on math achievement than on Full-Scale IQ would exhibit weaknesses in executive functions, memory, and visuoperceptual skills. Participants included 436 children (27% girls, 73% boys; age range = 5-17 years, M(age) = 9.45 years) who were referred for neuropsychological evaluations due to academic and/or behavioral problems. This article specifically focuses on the spectrum of math weakness rather than clinical disability, which has yet to be investigated in the literature. Results suggest that children with relative weakness to impairments in math were significantly more likely to have cognitive weaknesses to impairments on neuropsychological variables, as compared with children without math weaknesses. Specifically, the math-weak children exhibit a weakness to impairment on measures involving attention, language, visuoperceptual skills, memory, reading, and spelling. Overall, our results suggest that math development is multifaceted. PMID:25117216

  11. 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]Cl22C8H10N42H2O, (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

  12. Stability strengths and weaknesses in protein structures detected by statistical potentials: Application to bovine seminal ribonuclease.

    PubMed

    De Laet, Marie; Gilis, Dimitri; Rooman, Marianne

    2016-01-01

    We present an in silico method to estimate the contribution of each residue in a protein to its overall stability using three database-derived statistical potentials that are based on inter-residue distances, backbone torsion angles and solvent accessibility, respectively. Residues that contribute very unfavorably to the folding free energy are defined as stability weaknesses, whereas residues that show a highly stabilizing contribution are called stability strengths. Strengths and/or weaknesses on residues that are in spatial contact are clustered into 3-dimensional (3D) stability patches. The identification and analysis of strength- and weakness-containing regions in a protein may reveal structural or functional characteristics, and/or interesting spots to introduce mutations. To illustrate the power of our method, we apply it to bovine seminal ribonuclease. This enzyme catalyzes the degradation of RNA strands, and has the peculiarity of undergoing 3D domain swapping in physiological conditions. The weaknesses and strengths were compared among the monomeric, dimeric and swapped dimeric forms. We identified weaknesses among the catalytic residues and a mixture of weaknesses and strengths among the substrate-binding residues in the three forms. In the regions involved in 3D swapping, we observed an accumulation of weaknesses in the monomer, which disappear in the dimer and especially in the swapped dimer. Moreover, monomeric homologous proteins were found to exhibit less weaknesses in these regions, whereas mutants known to favor unswapped dimerization appear stabilized in this form. Our method has several perspectives for functional annotation, rational prediction of targeted mutations, and mapping of stability changes upon conformational rearrangements. Proteins 2016; 84:143-158. 2015 Wiley Periodicals, Inc. PMID:26573727

  13. Solvent tuned single molecule dual emission in protic solvents: effect of polarity and H-bonding.

    PubMed

    Chevreux, S; Allain, C; Wilbraham, L; Nakatani, K; Jacques, P; Ciofini, I; Lemercier, G

    2015-12-22

    has recently been proposed as a promising new molecule displaying solvent-tuned dual emission, highlighting an original and newly-described charge transfer model. The study of the photophysical behaviour of this molecule was extended to include protic solvents. The effects of polarity and hydrogen bonding lead to an even more evident dual emission associated with a large multi-emission band in some solvents like methanol, highlighting as a promising candidate for white light emission. PMID:26411633

  14. Caustic-Side Solvent Extraction: Chemical and Physical Properties of the Optimized Solvent

    SciTech Connect

    Delmau, L.H.

    2002-10-08

    This work was undertaken to optimize the solvent used in the Caustic Side Solvent Extraction (CSSX) process and to measure key chemical and physical properties related to its performance in the removal of cesium from the alkaline high-level salt waste stored in tanks at the Savannah River Site. The need to adjust the solvent composition arose from the prior discovery that the previous baseline solvent was supersaturated with respect to the calixarene extractant. The following solvent-component concentrations in Isopar{reg_sign} L diluent are recommended: 0.007 M calix[4]arene-bis(tert-octylbenzo-crown-6) (BOBCalixC6) extractant, 0.75 M 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol (Cs-7SB) phase modifier, and 0.003 M tri-n-octylamine (TOA) stripping aid. Criteria for this selection included BOBCalixC6 solubility, batch cesium distribution ratios (D{sub Cs}), calculated flowsheet robustness, third-phase formation, coalescence rate (dispersion numbers), and solvent density. Although minor compromises within acceptable limits were made in flowsheet robustness and solvent density, significant benefits were gained in lower risk of third-phase formation and lower solvent cost. Data are also reported for the optimized solvent regarding the temperature dependence of D{sub Cs} in extraction, scrubbing, and stripping (ESS); ESS performance on recycle; partitioning of BOBCalixC6, Cs-7SB, and TOA to aqueous process solutions; partitioning of organic anions; distribution of metals; solvent phase separation at low temperatures; solvent stability to elevated temperatures; and solvent density and viscosity. Overall, the technical risk of the CSSX process has been reduced by resolving previously identified issues and raising no new issues.

  15. Quantum correlation cost of the weak measurement

    SciTech Connect

    Zhang, Jun; Wu, Shao-xiong; Yu, Chang-shui

    2014-12-15

    Quantum correlation cost (QCC) characterizing how much quantum correlation is used in a weak-measurement process is presented based on the trace norm. It is shown that the QCC is related to the trace-norm-based quantum discord (TQD) by only a factor that is determined by the strength of the weak measurement, so it only catches partial quantumness of a quantum system compared with the TQD. We also find that the residual quantumness can be extracted not only by the further von Neumann measurement, but also by a sequence of infinitesimal weak measurements. As an example, we demonstrate our outcomes by the Bell-diagonal state.

  16. 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.

  17. Vapochromic luminescence and flexibility control of porous coordination polymers by substitution of luminescent multinuclear Cu(I) cluster nodes.

    PubMed

    Hayashi, Takahiro; Kobayashi, Atsushi; Ohara, Hiroki; Yoshida, Masaki; Matsumoto, Takeshi; Chang, Ho-Chol; Kato, Masako

    2015-09-21

    Two luminescent porous coordination polymers (PCPs), i.e., [Cu2(?2-I)2ctpyz]n and [Cu4(?3-I)4ctpyz]n (Cu2 and Cu4, respectively; ctpyz = cis-1,3,5-cyclohexanetriyl-2,2',2?-tripyrazine), were successfully synthesized and characterized by single-crystal X-ray diffraction and luminescence spectroscopic measurements. Cu2 consists of rhombus-type dinuclear {Cu2I2} cores bridged by ctpyz ligands, while Cu4 is constructed of cubane-type tetranuclear {Cu4I4} cores bridged by ctpyz ligands. The void fraction of Cu4 is estimated to be 48.0%, which is significantly larger than that of Cu2 (19.9%). Under UV irradiation, both PCPs exhibit red luminescence at room temperature in the solid state (?em values of 660 and 614 nm for Cu2 and Cu4, respectively). Although the phosphorescence of Cu2 does not change upon removal and/or adsorption of EtOH solvent molecules in the porous channels, the solid-state emission maximum of Cu4 red-shifts by 36 nm (?em = 650 nm) upon the removal of the adsorbed benzonitrile (PhCN) molecules from the porous channels (and vice versa). This large difference in the vapochromic behavior of Cu2 and Cu4 is closely related to the framework flexibility. The framework of Cu2 is sufficiently rigid to retain the porous structure without solvated EtOH molecules, whereas the porous structure of Cu4 collapses easily after removal of the adsorbed PhCN molecules to form a nonporous amorphous phase. The original vapor-adsorbed porous structure of Cu4 is regenerated by exposure of the amorphous solid to not only PhCN vapor but also tetrahydrofuran, acetone, ethyl acetate, and N,N-dimethylformamide vapors. The Cu4 structures with the various adsorbed solvents showed almost the same emission maxima as the original PhCN-adsorbed Cu4, except for DMF-adsorbed Cu4, which showed no luminescence probably because of weak coordination of the DMF vapor molecules to the Cu(I) centers of the tetranuclear {Cu4I4} core. PMID:25984761

  18. Weak-field general relativistic dynamics and the Newtonian limit

    NASA Astrophysics Data System (ADS)

    Cooperstock, F. I.

    2016-01-01

    We show that the generally held view that the gravity of weak-field nonrelativistic-velocity sources being invariably almost equivalent to Newtonian gravity (NG) (the Newtonian limit approach) is in some instances misleading and in other cases incorrect. A particularly transparent example is provided by comparing the Newtonian and general relativistic analyses of a simple variant of van Stockums infinite rotating dust cylinder. We show that some very recent criticisms of our work that had been motivated by the Newtonian limit approach were incorrect and note that no specific errors in our work were found in the critique. In the process, we underline some problems that arise from inappropriate coordinate transformations. As further support for our methodology, we note that our weak-field general relativistic treatment of a model galaxy was vindicated recently by the observations of Xu etal. regarding our prediction that the Milky Way was 19-21kpc in radius as opposed to the commonly held view that the radius was 15kpc.

  19. Stability of the Caustic-Side Solvent Extraction (CSSX) Process Solvent: Effect of High Nitrite on Solvent Nitration

    SciTech Connect

    Bonnesen, P.V.

    2002-06-26

    The purpose of this investigation was to determine whether nitrated organic compounds could be formed during operation of the Caustic-Side Solvent Extraction (CSSX) process, and whether such compounds would present a safety concern. The CSSX process was developed to remove cesium from alkaline high-level salt waste stored at the US Department of Energy Savannah River Site (SRS). The solvent is composed of the cesium extractant calix[4]arene-bis-(4-tert-octylbenzo-crown-6) (BOBCalixC6), a fluorinated alcohol phase modifier, tri-n-octylamine (TOA), and an isoparaffinic diluent (Iospar{reg_sign}). During the CSSX process, the solvent is expected to be exposed to high concentrations of nitrate and nitrite dissolved in the alkaline waste feed. The solvent will also be exposed to dilute (50 mM) nitric acid solutions containing low concentrations of nitrite during scrubbing, followed by stripping with 1 mM nitric acid. The solvent is expected to last for one year of plant operation, and the temperatures the solvent may experience during the process could range from as low as 15 C to as high as 35 C. Excursions from standard process conditions could result in the solvent experiencing higher temperatures, as well as concentrations of nitrate, nitrite, and most importantly nitric acid, that exceed normal operating conditions. Accordingly, conditions may exist where nitration reactions involving the solvent components, possibly leading to other chemical reactions stemming from nitration reactions, could occur. To model such nitration reactions, the solvent was exposed to the types of nitrate- and nitrite-containing solutions that might be expected to be encountered during the process (even under off-normal conditions), as a function of time, temperature, and concentration of nitrate, nitrite, and nitric acid. The experiments conducted as part of this report were designed to examine the more specific effect that high nitrite concentrations could have on forming nitrated organics. The present set of results supplement those obtained from earlier experiments conducted in FY 2001 in which nitration effects due to nitric acid alone and an average nitrite-containing alkaline simulant were examined.

  20. Keep meaning in conversational coordination

    PubMed Central

    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

  1. Sodium in weak G-band giants

    NASA Technical Reports Server (NTRS)

    Drake, Jeremy J.; Lambert, David L.

    1994-01-01

    Sodium abundances have been determined for eight weak G-band giants whose atmospheres are greatly enriched with products of the CN-cycling H-burning reactions. Systematic errors are minimized by comparing the weak G-band giants to a sample of similar but normal giants. If, further, Ca is selected as a reference element, model atmosphere-related errors should largely be removed. For the weak-G-band stars (Na/Ca) = 0.16 +/- 0.01, which is just possibly greater than the result (Na/Ca) = 0.10 /- 0.03 from the normal giants. This result demonstrates that the atmospheres of the weak G-band giants are not seriously contaminated with products of ON cycling.

  2. The Sloan Nearby Cluster Weak Lensing Survey

    SciTech Connect

    Kubo, Jeffrey M.; Annis, James T.; Hardin, Frances Mei; Kubik, Donna; Lawhorn, Kelsey; Lin, Huan; Nicklaus, Liana; Nelson, Dylan; Reis, Ribamar Rondon de Rezende; Seo, Hee-Jong; Soares-Santos, Marcelle; /Fermilab /Inst. Geo. Astron., Havana /Sao Paulo U. /Fermilab

    2009-08-01

    We describe and present initial results of a weak lensing survey of nearby (z {approx}< 0.1) galaxy clusters in the Sloan Digital Sky Survey (SDSS). In this first study, galaxy clusters are selected from the SDSS spectroscopic galaxy cluster catalogs of Miller et al. and Berlind et al. We report a total of seven individual low-redshift cluster weak lensing measurements that include A2048, A1767, A2244, A1066, A2199, and two clusters specifically identified with the C4 algorithm. Our program of weak lensing of nearby galaxy clusters in the SDSS will eventually reach {approx}200 clusters, making it the largest weak lensing survey of individual galaxy clusters to date.

  3. Composite weld rod corrects individual filler weaknesses

    NASA Technical Reports Server (NTRS)

    Grimaldo, S.

    1967-01-01

    Composite filler wire welds together an assembly made from components of Rene 41 nickel base alloy. Using equal parts of Rene 41 and Hastelloy W weld wire in the filler reduces the cracking and weaknesses of the individual parent metals.

  4. Coordination games, anti-coordination games, and imitative learning.

    PubMed

    McCain, Roger A; Hamilton, Richard

    2014-02-01

    Bentley et al.'s scheme generates distributions characteristic of situations of high and low social influence on decisions and of high and low salience ("transparency") of rewards. Another element of decisions that may influence the placement of a decision process in their map is the way in which individual decisions interact to determine the payoffs. This commentary discusses the role of Nash equilibria in game theory, focusing especially on coordination and anti-coordination games. PMID:24572231

  5. Solvent dependence of 7-azaindole dimerization.

    PubMed

    Shirota, Hideaki; Fukuda, Takao; Kato, Tatsuya

    2013-12-19

    We have investigated 7-azaindole (AI) in a variety of solvents including CCl4, CHCl3, CH2Cl2, acetone, CH3CN, and DMSO by femtosecond Raman-induced Kerr effect spectroscopy. In differential low-frequency Kerr spectra between the solutions and the respective neat solvents, vibrational bands of the AI hydrogen-bonding (HB) dimer have been observed at ca. 90 and 105 cm(-1) in CHCl3 and CH2Cl2, as well as CCl4: the standard solvent for the AI dimer. In contrast, a broad monomodal band at ca. 80 cm(-1) characterizes an HB mode between the AI monomer and solvent in acetone, CH3CN, and DMSO. The overdamped Kerr transients in the picosecond region show evidence of both the AI monomer and dimer reorientations in CHCl3, CH2Cl2, acetone, and CH3CN, but only the monomer reorientation has been confirmed in DMSO. The clear intermolecular HB bands have not been observed in acetone, CH3CN, and DMSO because these solvents are sufficiently strong HB acceptors, which form HB AI-solvent complexes, thus preventing quantitative AI dimerization. In addition, it is plausible that the HB band of between AI and solvent obscures the intermolecular bands of the AI dimer when the concentration of the AI dimer is much lower than the AI monomer. For comparison, we have employed NMR to study the concentration-dependent chemical shift of the proton attached to the N at the 7-position of AI and to estimate the dimerization constant: 356, 13.3, 14.7, 0.727, and 0.910 M(-1) in CCl4, CHCl3, CH2Cl2, acetone, and CH3CN, respectively. The femtosecond Raman-induced Kerr effect spectroscopy and NMR results are in good agreement. PMID:24191715

  6. Gyroviscous stress in weakly magnetized plasmas

    SciTech Connect

    Barnes, D. C.

    2013-01-15

    The gyroviscous stress is computed for a weakly magnetized plasma, i.e., one in which the thermal ion gyroradius may exceed the equilibrium gradient scale length. A simple and useful formula is derived and shown to reduce to the previous strongly magnetized result. Applicability is illustrated with a typical field-reversed configuration equilibrium solution. This form is the most useful to date for the study of kinetic ion phenomena in weakly magnetized plasmas within a fluid model.

  7. A Quantum Proxy Weak Blind Signature Scheme

    NASA Astrophysics Data System (ADS)

    Cao, Hai-Jing; Zhu, Yan-Yan; Li, Peng-Fei

    2013-09-01

    We present a weak blind signature scheme based on a genuinely entangled six qubits state. Different from classical blind signature schemes and current quantum signature schemes, our quantum weak blind signature scheme could guarantee not only the unconditionally security but also the anonymity of the message owner. To achieve that, quantum key distribution and one-time pad are adopted in our scheme. Our scheme has the characteristics of classical security and quantum security.

  8. Elastic scattering with weakly bound projectiles

    SciTech Connect

    Figueira, J. M.; Abriola, D.; Arazi, A.; Capurro, O. A.; Marti, G. V.; Martinez Heinmann, D.; Pacheco, A. J.; Testoni, J. E.; Barbara, E. de; Fernandez Niello, J. O.; Padron, I.; Gomes, P. R. S.; Lubian, J.

    2007-02-12

    Possible effects of the break-up channel on the elastic scattering threshold anomaly has been investigated. We used the weakly bound 6,7Li nuclei, which is known to undergo break-up, as projectiles in order to study the elastic scattering on a 27Al target. In this contribution we present preliminary results of these experiments, which were analyzed in terms of the Optical Model and compared with other elastic scattering data using weakly bound nuclei as projectile.

  9. Attending to weak signals: the leader's challenge.

    PubMed

    Kerfoot, Karlene

    2003-01-01

    Halverson and Isham (2003) quote sources that report the accidental death rate of simply being in a hospital is "...four hundred times more likely than your risk of death from traveling by train, forty times higher than driving a car, and twenty times higher than flying in a commercial aircraft" (p. 13). High-reliability organizations such as nuclear power plants and aircraft carriers have been pioneers in the business of recognizing weak signals. Weike and Sutcliffe (2001) note that high-reliability organizations distinguish themselves from others because of their mindfulness which enables them to see the significance of weak signals and to give strong interventions to weak signals. To act mindfully, these organizations have an underlying mental model of continually updating, anticipating, and focusing the possibility of failure using the intelligence that weak signals provides. Much of what happens is unexpected in health care. However, with a culture that is continually looking for weak signals, and intervenes and rescues when these signals are detected, the unexpected happens less often. This is the epitome of how leaders can build a culture of safety that focuses on recognizing the weak signals to manage the unforeseen. PMID:14705561

  10. Attending to weak signals: the leader's challenge.

    PubMed

    Kerfoot, Karlene

    2005-12-01

    Halverson and Isham (2003) quote sources that report the accidental death rate of simply being in a hospital is " ... four hundred times more likely than your risk of death from traveling by train, forty times higher than driving a car, and twenty times higher than flying in a commercial aircraft" (p. 13). High-reliability organizations such as nuclear power plants and aircraft carriers have been pioneers in the business of recognizing weak signals. Weike and Sutcliffe (2001) note that high-reliability organizations distinguish themselves from others because of their mindfulness which enables them to see the significance of weak signals and to give strong interventions to weak signals. To act mindfully, these organizations have an underlying mental model of continually updating, anticipating, and focusing the possibility of failure using the intelligence that weak signals provides. Much of what happens is unexpected in health care. However, with a culture that is continually looking for weak signals, and intervenes and rescues when these signals are detected, the unexpected happens less often. This is the epitome of how leaders can build a culture of safety that focuses on recognizing the weak signals to manage the unforeseen. PMID:16438258

  11. Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.

    PubMed

    Hawes, Chris S; Chilton, Nicholas F; Moubaraki, Boujemaa; Knowles, Gregory P; Chaffee, Alan L; Murray, Keith S; Batten, Stuart R; Turner, David R

    2015-10-28

    The synthesis and structural, magnetic and gas adsorption properties of a series of coordination polymer materials prepared from a new, highly flexible and internally functional tetrakis-carboxybenzyl ligand H4L derived from 1,2-diaminoethane have been examined. The compound poly-[Ni3(HL)2(OH2)4]2DMF2H2O 1, a two-dimensional coordination polymer, contains aqua- and carboxylato-bridged trinuclear Ni(II) clusters, the magnetic behaviour of which can be well described through experimental fitting and ab initio modelling to a ferromagnetically coupled trimer with a positive axial zero-field splitting parameter D. Compound poly-[Zn2L]2DMF3H2O 2, a three-dimensional coordination polymer displaying frl topology, contains large and well-defined solvent channels, which are shown to collapse on solvent exchange or drying. Compound poly-[Zn2(L)(DMSO)4]3DMSO3H2O 3, a highly solvated two-dimensional coordination polymer, displayed poor stability characteristics, however a structurally related material poly-[Zn2(L)(bpe)(DMSO)2]DMSO3H2O 4 was prepared under similar synthetic conditions by including the 1,2-bis(4-pyridyl)ethylene bpe co-ligand. Compound 4, containing small one-dimensional solvent channels, shows excellent structural resilience to solvent exchange and evacuation, and the evacuated material displays selective adsorption of CO2 over N2 at 273 K in the pressure range 0-1 atm. Each of the coordination polymers displays subtle differences in the conformation and binding mode of the ligand species, with switching between two distinct conformers (X-shaped and H-shaped), as well as a variable protonation state of the central core, with significant effects on the resulting network structures and physical properties of the materials. PMID:26223788

  12. 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.

  13. Solvent disperser for removing oil from sponge core

    SciTech Connect

    Di Foggio, R.

    1988-09-20

    This patent describes method for dispersing solvent for use in determining the oil saturation of an earth formation by means of sponge coring, comprising: (a) receiving solvent dripping downwardly, and (b) conducting the received solvent by means of capillary action to an application zone located and dimensioned for passing such solvent to the sponge in a sponge core barrel.

  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. Spontaneous vesicle formation in a deep eutectic solvent.

    PubMed

    Bryant, Saffron J; Atkin, Rob; Warr, Gregory G

    2016-02-14

    Solvent penetration experiments and small-angle X-ray scattering reveal that phospholipids dissolved in a deep eutectic solvent (DES) spontaneously self-assemble into vesicles above the lipid chain melting temperature. This means DESs are one of the few nonaqueous solvents that mediate amphiphile self-assembly, joining a select set of H-bonding molecular solvents and ionic liquids. PMID:26701210

  16. Highly enantioselective hydrogenation of alpha-dehydroamino esters and itaconates with triphosphorous bidentate ligands and the unprecedented solvent effect thereof.

    PubMed

    Zhang, Weicheng; Zhang, Xumu

    2007-02-01

    An X-ray diffraction experiment revealed an interesting triphosphorous bidentate coordination in a Pd(II) complex of a phosphine-phosphoramidite ligand 1, which showed excellent enantioselectivity (up to 99.4% ee) in Rh-catalyzed hydrogenation of alpha-dehydroamino esters in acetone. A dramatic solvent effect was found in the hydrogenation of itaconates, which induces opposite chiralities of the product with the same catalytic system by the use of different solvents (e.g., 99.6% ee (R) in TFE vs 71.2% ee (S) in methyl ethyl ketone). PMID:17253827

  17. Solvent dependent assembly of lanthanide metallacrowns using building blocks with incompatible symmetry preferences.

    PubMed

    Jankolovits, Joseph; Kampf, Jeff W; Pecoraro, Vincent L

    2014-07-21

    Solvent dependence in the assembly of coordination driven macrocycles is a poorly understood phenomenon. This work presents the solvent dependent assembly of 8 lanthanide metallacrowns (LnMCs) in solution using picoline hydroxamic acid (picHA), Zn(II), and Ln(III) ions. ESI-MS and single-crystal X-ray crystallography reveal the selective assembly of LnZn4(picHA)4(3+), LnZn5(picHA)5(3+), LnZn8(picHA)8(3+), LnZn12(picHA)12(3+), LnZn16(picHA)16(3+), Ln2Zn3(picHA)4(4+), Ln2Zn7-9(picHA)8-10, and Ln4Zn4-5(picHA)8-9 complexes in five different solvents. The coordination preferences of the hard Ln(III) ion and relatively soft Zn(II) ion dictate the solvent selectivity in this system. The LnMCs assemble with open or closed Zn(II) and/or Ln(III) coordination sites based on the behavior of the solvent as an ancillary ligand. This structural promiscuity is attributed to the symmetry incompatible building blocks, which generate assemblies with substantial geometric strain such that no clear thermodynamic minimum exists between the different LnMCs. These LnMCs assemble from a Zn5(picHA)4(2+) intermediate, which is monitored using (1)H NMR and ESI-MS to assess the stability of the complexes and possible assembly pathways based on kinetic considerations. LnMC assemblies that can be generated through central metal substitution reactions such as the LnZn4(picHA)4(3+), LnZn5(picHA)5(3+), and LnZn8(picHA)8(3+) effectively reach equilibrium after 24 h at room temperature. In contrast, LnMCs that must disrupt the Zn5L4(2+) structure to assemble, such as the LnZn16L16(3+), reach equilibrium after heating for 24 h at 65 C. A pathway for LnMC assembly is presented where the Zn5L4(2+) is the key intermediate based on these reaction data and shared structural motifs in the complexes. These results correlate solvent dependent assembly to the building block geometry, highlighting synthetic approaches for generating novel complexes. PMID:24956137

  18. Hazardous solvents: Innovative alternatives offer choices

    SciTech Connect

    Melody, M.

    1993-01-01

    Use of hazardous solvents pose various problems for industry, including contributing to depletion of the stratospheric ozone layer, creating hazardous wastes and exposing workers to dangerous chemicals. Several environmental laws regulate the use of hazardous solvents, but only mandated phaseouts have prompted action by businesses. The CAA Amendments and the Montreal Protocol on Substances That Deplete the Ozone Layer are generating industry response, because they order the phaseout of two popular solvents -- CFCs and 1,1,1-trichloroethane. Regulations and hazardous waste disposal costs are the major factors influencing companies to switch to alternative cleaning solvents and technologies. Another factor contributing to the demand for alternative cleaners and processes is increased awareness of risks associated with hazardous solvents. Although most alternative cleaners do not have hazardous characteristics, the contaminants they remove may be hazardous. Vendors, therefore, are cautious about discussing waste disposal. Many facilities switching to aqueous and semi-aqueous systems need to install or modify wastewater treatment facilities, add a filtration system to recycle water, or buy water evaporators.

  19. Solvent response of mixed polymer brushes.

    PubMed

    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. PMID:22149811

  20. Solvent gating of intramolecular electron transfer

    SciTech Connect

    Miller, R.M. ); Spears, K.G.; Gong, J.H.; Wach, M. )

    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.

  1. 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.

  2. 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.

  3. Coordinated action in multiteam systems.

    PubMed

    Davison, Robert B; Hollenbeck, John R; Barnes, Christopher M; Sleesman, Dustin J; Ilgen, Daniel R

    2012-07-01

    This study investigated coordinated action in multiteam systems employing 233 correspondent systems, comprising 3 highly specialized 6-person teams, that were engaged in an exercise that was simultaneously "laboratory-like" and "field-like." It enriches multiteam system theory through the combination of theoretical perspectives from the team and the large organization literatures, underscores the differential impact of large size and modular organization by specialization, and demonstrates that conventional wisdom regarding effective coordination in traditional teams and large organizations does not always transfer to multiteam systems. We empirically show that coordination enacted across team boundaries at the component team level can be detrimental to performance and that coordinated actions enacted by component team boundary spanners and system leadership positively impact system performance only when these actions are centered around the component team most critical to addressing the demands of the task environment. PMID:22201246

  4. Markov Tracking for Agent Coordination

    NASA Technical Reports Server (NTRS)

    Washington, Richard; Lau, Sonie (Technical Monitor)

    1998-01-01

    Partially observable Markov decision processes (POMDPs) axe an attractive representation for representing agent behavior, since they capture uncertainty in both the agent's state and its actions. However, finding an optimal policy for POMDPs in general is computationally difficult. In this paper we present Markov Tracking, a restricted problem of coordinating actions with an agent or process represented as a POMDP Because the actions coordinate with the agent rather than influence its behavior, the optimal solution to this problem can be computed locally and quickly. We also demonstrate the use of the technique on sequential POMDPs, which can be used to model a behavior that follows a linear, acyclic trajectory through a series of states. By imposing a "windowing" restriction that restricts the number of possible alternatives considered at any moment to a fixed size, a coordinating action can be calculated in constant time, making this amenable to coordination with complex agents.

  5. Changes in psychological performances of solvent-poisoned and solvent-exposed workers

    SciTech Connect

    Lindstroem, K.

    1980-01-01

    The changes in psychological performances associated with long-term exposure to organic solvents and solvent mixtures were studied in a group of 56 male workers diagnosed as having an occupational disease caused by solvents. Their mean duration of exposure was 9.1 +/- SD 8.3 years, and they were exposed mainly to halogenated and aromatic hydrocarbons and to mixtures of paint solvents. The psychological performances of these solvent-exposed patients were compared with those of 98 styrene-exposed workers and a nonexposed group of 43 construction workers. The applied psychological test variables were factor analyzed, before other statistical analysis, in order to clarify what they measured in the present study. The solvent-exposed group was characterized by a decline in visuomotor performance and decreased freedom from distractibility. The poor visuomotor performances were also related to the long duration of solvent exposure in this group of patients. The index applied for the exposure level revealed no significant relationships to psychological performances among the solvent-exposed patients. The psychological performances of the styrene-exposed group differed only very slightly from those of the nonexposed workers.

  6. 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 ?8C 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 179.1m 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

  7. Chlorinated solvent replacements recycle/recovery review report

    SciTech Connect

    Beal, M.; Hsu, D.; McAtee, R.E.; Weidner, J.R.; Berg, L.; McCandless, F.P.; Waltari, S.; Peterson, C.

    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.

  8. Ion Exchange and Solvent Extraction: Supramolecular Aspects of Solvent Exchange Volume 21

    SciTech Connect

    Gloe, Karsten; Tasker, Peter A; Oshima, Tatsuya; Watarai, Hitoshi; Nilsson, Mikael

    2013-01-01

    Preface The theme of supramolecular chemistry (SC), entailing the organization of multiple species through noncovalent interactions, has permeated virtually all aspects of chemical endeavor over the past several decades. Given that the observed behavior of discrete molecular species depends upon their weak interactions with one another and with matrix components, one would have to conclude that SC must indeed form part of the fabric of chemistry itself. A vast literature now serves to categorize SC phenomena within a body of consistent terminology. The word supramolecular itself appears in the titles of dozens of books, several journals, and a dedicated encyclopedia. Not surprisingly, the theme of SC also permeates the field of solvent extraction (SX), inspiring the framework for this volume of Ion Exchange and Solvent Extraction. It is attempted in the six chapters of this volume to identify both how supramolecular behavior occurs and is studied in the context of SX and how SC is influencing the current direction of SX. Researchers and practitioners have long dealt with supramolecular interactions in SX. Indeed, the use of polar extractant molecules in nonpolar media virtually assures that aggregative interactions will dominate the solution behavior of SX. Analytical chemists working in the 1930s to the 1950s with simple mono- and bidentate chelating ligands as extractants noted that extraction of metal ions obeyed complicated mass-action equilibria involving complex stoichiometries. As chemists and engineers developed processes for nuclear and hydrometallurgical applications in the 1950s and 1960s, the preference for aliphatic diluents only enhanced the complexity and supramolecular nature of extraction chemistry. Use of physical techniques such as light scattering and vapor-pressure measurements together with various spectroscopic methods revealed organic-phase aggregates from well-defined dimers to small aggregates containing a few extractant molecules to large inverse micelles swollen with water molecules. Extraction systems involving long-chain cations such as alkylammonium species or long-chain anions such as sulfonates or carboxylates proved especially prone to extensive aggregate formation. The related phenomenon of third-phase formation in SX systems, long misunderstood, is now yielding to spectroscopic and scattering techniques showing extensive long-range organization. Over the last 50 years, tools for studying the structure and thermodynamics of aggregation have grown increasingly sophisticated, leading to a rich and detailed understanding of what we can now recognize as SC phenomena in SX. In the 1970s and 1980s, the rapid growth of SC elicited a paradigm shift in SX. The influence of SC principles had two major effects on the course of SX research. First, it provided a framework for understanding the supramolecular behavior that was already well appreciated in the field of SX, though earlier without the SC terminology. Second, it provided the conceptual tools to control supramolecular behavior in SX, direct it for intended functionality, and to simplify it. Extraction by designed reagents has been steadily progressing ever since, with commercial applications emerging to successfully validate this approach. With the discovery of crown ethers in the late 1960s, the advancement of extractant design has fruitfully employed the concept of inclusion. While considerable initial progress occurred with such molecules, especially because of their affinity and selectivity for alkali and alkaline earth metals, other molecular platforms such as calixarenes have proven more versatile. Multidentate receptors for partial to full inclusion of cations, anions, ion pairs, as well as neutral species, have now become commonplace for selective extraction. This volume of Ion Exchange and Solvent Extraction examines how the principles of SC are being employed both in advancing the design of new highly selective SX systems and in understanding aggregation phenomena in SX systems. Chapter 1 discusses the nature and definition of SC and how it is used generally in design of novel SX reagents. Major approaches using SC principles are outlined and illustrated. Chapter 2 expands upon the theme of ion-pair recognition and introduces outer-sphere recognition of metal complexes, a novel idea with the potential for structural control of solvation, casting a new light on solvent modifiers. Chapter 3 reviews the large literature of calixarenes as extraction reagents for metal ions, where the synthetic versatility of this family of compounds has produced vast possibilities for inclusion and selective separations. Chapter 4 extends such chemistry to extraction of biomolecules, where the potential for selective separations is only beginning to be explored through site recognition in macromolecules. In Chapter 5, a detailed examination of the liquid-liquid interface as an expression of supramolecular phenomena i...

  9. 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.

  10. AXAF Coordinate Transformation at XRCF

    NASA Technical Reports Server (NTRS)

    He, Helen; McDowell, Jonathan; Conroy, Maureen

    1997-01-01

    Coordinate transformation between focal plane and detector pixel systems must be handled carefully at the X-ray Calibration Facility (XRCF) as it will be during flight. The High Resolution Mirror Assembly (HRMA) X-ray Detection System (HXDS) stage dithers, and the five-axis mount (FAM) attachment points underwent various types of motion during testing. At the XRCF when the FAM moved, the Science Instrument Module (SIM) travel direction was not necessarily aligned with the mirror axis motion, and, in addition, an arbitrary position offset had to be calibrated. Misalignment from the mirror axis was assessed by measuring its displacement from the boresight configuration of the default FAM frame, and the HXDS stage was monitored for motion from the default FAM reference point. Mirror position, prescribed in a mirror modal coordinate system, was measured in HRMA pitch and yaw axes. Prior to corrections for dithering and FAM movement, the coordinate data at XRCF also had to be corrected for possible misalignments of the mirror mount relative to XRCF and the default FAM axes due to the movement of the FAM feet. Those misalignments were processed in terms of yaw-pitch-roll Euler angles in the mirror nodal coordinate, and in the default FAM frame, respectively. An AXAF Science Center (ASC) coordinate library, pixlib, has been built to support these coordinate transformations and was used during x-ray calibration at the George C. Marshall Space Flight Center, Huntsville, AL. The design and implementation of this library will be discussed.

  11. Probing weakly polar interactions in cytochrome c.

    PubMed

    Auld, D S; Young, G B; Saunders, A J; Doyle, D F; Betz, S F; Pielak, G J

    1993-12-01

    Theoretical, statistical, and model studies suggest that proteins are stabilized by weakly polar attractions between sulfur atoms and properly oriented aromatic rings. The two sulfur-containing amino acids, methionine and cysteine, occur frequently among functional alleles in random mutant libraries of Saccharomyces cerevisiae iso-1-cytochrome c genes at positions that form a weakly polar aromatic-aromatic interaction, the wild-type protein. To determine if a weakly polar sulfur-aromatic interaction replaced the aromatic-aromatic interaction, the structure and stability of two variants were examined. Phenylalanine 10, which interacts with tyrosine 97, was replaced by methionine and cysteine. The cysteine was modified to form the methionine and cysteine analog, S-methyl cysteine (CysSMe). Proton NMR studies indicate that changing Phe 10 to Met or CysSMe affects only local structure and that the structures of sulfur-containing variants are nearly identical. Analysis of chemical shifts and nuclear Overhauser effect data indicates that both sulfur-containing side chains are in position to form a weakly polar interaction with Tyr 97. The F10M and F10CSMe variants are 2-3 kcal mol-1 less stable than iso-1-cytochrome c at 300 K. Comparison of the stabilities of the F10M and F10CSMe variants allows evaluation of the potential weakly polar interaction between the additional sulfur atom of F10CSMe and the aromatic moiety of Tyr 97. The F10CSMe;C102T variant is 0.7 +/- 0.3 kcal mol-1 more stable than the F10M;C102T protein. The increased stability is explained by the difference in hydrophobicity of the sulfur-containing side chains. We conclude that any weakly polar interaction between the additional sulfur and the aromatic ring is too weak to detect or is masked by destabilizing contributions to the free energy of denaturation. PMID:8298464

  12. 40 CFR Table 4 to Subpart Oooo of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Default Organic HAP Mass Fraction for... 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction... formulation data. Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical organic HAP,...

  13. 40 CFR Table 4 to Subpart Oooo of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 12 2011-07-01 2009-07-01 true Default Organic HAP Mass Fraction for... 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction... formulation data. Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical organic HAP,...

  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

    ... 40 Protection of Environment 13 2012-07-01 2012-07-01 false Default Organic HAP Mass Fraction for...—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in... formulation data. Solvent/solvent blend CAS. No. Average organic HAP mass fraction Typical organic...

  15. 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

    ... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Default Organic HAP Mass Fraction for... of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass... manufacturer's formulation data Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical...

  16. 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

    ... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Default Organic HAP Mass Fraction for... Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the... Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical organic HAP, percent by mass...

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

    Code of Federal Regulations, 2013 CFR

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    ... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Default Organic HAP Mass Fraction for...—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in... formulation data. Solvent/solvent blend CAS. No. Average organic HAP mass fraction Typical organic...

  18. 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

    ... 40 Protection of Environment 13 2012-07-01 2012-07-01 false Default Organic HAP Mass Fraction for... Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the.... Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical organic HAP, percent by mass...

  19. 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

    ... 40 Protection of Environment 13 2014-07-01 2014-07-01 false Default Organic HAP Mass Fraction for... Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the.... Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical organic HAP, percent by mass...

  20. 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

    ... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Default Organic HAP Mass Fraction for... Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the.... Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical organic HAP, percent by mass...

  1. 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

    ... 40 Protection of Environment 12 2011-07-01 2009-07-01 true Default Organic HAP Mass Fraction for... Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the... Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical organic HAP, percent by mass...

  2. 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

    ... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Default Organic HAP Mass Fraction for...—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in... formulation data. Solvent/solvent blend CAS. No. Average organic HAP mass fraction Typical organic...

  3. 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

    ... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Default Organic HAP Mass Fraction for... Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the...: Solvent/Solvent blend CAS. No. Average organic HAP mass fraction Typical organic HAP, percent by mass...

  4. 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

    ... 40 Protection of Environment 13 2012-07-01 2012-07-01 false Default Organic HAP Mass Fraction for...—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in... formulation data. Solvent/solvent blend CAS. No. Average organic HAP mass fraction Typical organic...

  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

    ... 40 Protection of Environment 13 2014-07-01 2014-07-01 false Default Organic HAP Mass Fraction for... of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass... manufacturer's formulation data Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical...

  6. 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

    ... 40 Protection of Environment 13 2012-07-01 2012-07-01 false Default Organic HAP Mass Fraction for... Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the...: Solvent/Solvent blend CAS. No. Average organic HAP mass fraction Typical organic HAP, percent by mass...

  7. 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

    ... 40 Protection of Environment 13 2014-07-01 2014-07-01 false Default Organic HAP Mass Fraction for...—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in... formulation data. Solvent/solvent blend CAS. No. Average organic HAP mass fraction Typical organic...

  8. 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

    ... 40 Protection of Environment 13 2014-07-01 2014-07-01 false Default Organic HAP Mass Fraction for...—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in... formulation data. Solvent/solvent blend CAS. No. Average organic HAP mass fraction Typical organic...

  9. 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

    ... 40 Protection of Environment 13 2012-07-01 2012-07-01 false Default Organic HAP Mass Fraction for... of Part 63—Default Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass... manufacturer's formulation data Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical...

  10. 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

    ... 40 Protection of Environment 13 2014-07-01 2014-07-01 false Default Organic HAP Mass Fraction for... Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the...: Solvent/Solvent blend CAS. No. Average organic HAP mass fraction Typical organic HAP, percent by mass...

  11. Solvent-responsive structural colored balloons.

    PubMed

    Higashiguchi, Kenji; Inoue, Masafumi; Oda, Tomohiro; Matsuda, Kenji

    2012-03-27

    The structural colored balloons (SCBs) consisting of polymer microcapsules showed several structural colors developed by optical thin-layer interference. The SCBs were prepared using a mixture of low- and high-molecular-weight polystyrene to give solvent responsiveness. When the surrounding solvent was transferred from water to the acetone/water mixture using a flow cell, the SCBs swelled at first and shrunk subsequently. The gradual color change of the SCBs was observed along with the size change. The color change accompanying the size change was successfully reproduced by assuming that the total amount of polymer in the thin film does not change. The swelling rate was rationalized by the diffusion of solvent through the shell polystyrene film to the inside of the balloons. PMID:22381002

  12. 300 Area solvent evaporator closure plan

    SciTech Connect

    Not Available

    1990-01-01

    This document describes activities for the closure of a dangerous waste treatment tank facility, owned and operated by the US Department of Energy-Richland Operations Office (DOE-RL) and co-operated by the Westinghouse Hanford Company (Westinghouse Hanford). This tank treatment facility is the 300 Area Solvent Evaporator (300 ASE), which was located in the 300 Area of the Hanford Site from 1975 to 1986, and was managed for the DOE-RL by UNC Nuclear Industries, Incorporated. The 300 ASE evaporator unit was a modified load lugger (dumpster) in which solvent wastes were evaporated, and the adjacent 333 East Concrete Pad, where 55-gallon barrels of waste solvents were temporarily stored while awaiting liquid transfers into the evaporator. 26 refs., 14 figs., 6 tabs.

  13. 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.

  14. Solvent Environment Revealed by Positively Chirped Pulses.

    PubMed

    Konar, Arkaprabha; Lozovoy, Vadim V; Dantus, Marcos

    2014-03-01

    The spectroscopy of large organic molecules and biomolecules in solution has been investigated using various time-resolved and frequency-resolved techniques. Of particular interest is the early response of the molecule and the solvent, which is difficult to study due to the ambiguity in assigning and differentiating inter- and intramolecular contributions to the electronic and vibrational populations and coherence. Our measurements compare the yield of fluorescence and stimulated emission for two laser dyes IR144 and IR125 as a function of chirp. While negatively chirped pulses are insensitive to solvent viscosity, positively chirped pulses are found to be uniquely sensitive probes of solvent viscosity. The fluorescence maximum for IR125 is observed near transform-limited pulses; however, for IR144, it is observed for positively chirped pulses once the pulses have been stretched to hundreds of femtoseconds. We conclude that chirped pulse spectroscopy is a simple one-beam method that is sensitive to early solvation dynamics. PMID:26274090

  15. Immunization in vitro and production of monoclonal antibodies specific to insoluble and weakly immunogenic proteins.

    PubMed Central

    Van Ness, J; Laemmli, U K; Pettijohn, D E

    1984-01-01

    A procedure is described for immunizing in vitro and stimulating proliferation of specific B-cell lymphocytes. The method is applicable to production of monoclonal antibodies against proteins that are soluble only in denaturing solvents. An induction period is described in which antigen is presented to the B-cell population in the absence of serum. Also, antigen is coupled to mitogenic silica, which allows the effective presentation of both soluble and insoluble antigens. The results indicate hybridomas can be obtained that secrete IgMs directed against highly conserved or weakly immunogenic antigens. Images PMID:6083563

  16. 15 CFR 923.56 - Plan coordination.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... OCEANIC AND ATMOSPHERIC ADMINISTRATION, DEPARTMENT OF COMMERCE OCEAN AND 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,...

  17. 78 FR 57128 - Forest Resource Coordinating Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-09-17

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Coordinating Committee Meeting will meet in Rosslyn, Virginia. The... inspect comments received on the Forest Resource Coordinating Committee Web site at...

  18. 78 FR 34035 - Forest Resource Coordinating Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-06

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Coordinating Committee will meet via teleconference every month on... conference call will be posted to the Forest Resource Coordinating Committee Web site,...

  19. 78 FR 44519 - Forest Resource Coordinating Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-24

    ... Office of the Secretary Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice; Re-establishment of the Forest Resource Coordinating Committee and call for nominations. SUMMARY: The Department of Agriculture re-established the Forest Resource Coordinating Committee...

  20. Mixed solvent dewaxing of Kuwait middle distillates

    SciTech Connect

    Ijam, M.J.; Al-Ameeri, R.S.; Fahim, M.A.; Aref, S.F.

    1986-09-01

    Raw distillate fractions of petroleum contain a considerable concentration of paraffin waxes, which leads to a high pour point. However, for some special purposes, a low pour point of these oils is required as well as a fixed viscosity. For this reason, the paraffin waxes have to be removed from the oil distillates. The dewaxing process is one of the most laborious and costly steps in the production of lubricating oils; hence any improvement in this process is desirable. Dewaxing cannot be accomplished by distillation, since the waxy materials boil throughout the entire temperature range. In order to overcome this difficulty, various dewaxing processes have been designed, e.g., filter pressing, catalytic breakdown of the waxes, urea clathration, zeolitic adsorption, and solvent dewaxing. Most processes applied in the industry use a mixture of two solvents, e.g. benzene-acetone, benzene-methyl ethyl ketone, benzene-SO/sub 2/... etc. The principle of all these processes is based upon the different selectivity of the two solvents in dissolving the various components. The pour point obtained is dependent on the composition of the two solvents, on the ratio of the mixed solvent to the oil and on the cooling temperature used. Due to this, operation conditions can be varied over a wide range. The first objective of this work is to find optimum conditions for dewaxing of Kuwaiti heavy gas oil (HGO). These include different solvent mixtures, dilution ratio, cooling rate and filtration section level. The second objective is aiming to establish some empirical correlations for dewaxing which might be useful for designing and operating of dewaxing process for heavy gas oil at sub-zero temperatures.

  1. Conforming to coordinate: children use majority information for peer coordination.

    PubMed

    Grueneisen, Sebastian; Wyman, Emily; Tomasello, Michael

    2015-03-01

    Humans are constantly required to coordinate their behaviour with others. As this often relies on everyone's convergence on the same strategy (e.g., driving on the left side of the road), a common solution is to conform to majority behaviour. In this study, we presented 5-year-old children with a coordination problem: To retrieve some rewards, they had to choose the same of four options as a peer partner--in reality a stooge--whose decision they were unable to see. Before making a choice, they watched a video showing how other children from their partner's peer group had behaved; a majority chose the same option and a minority chose a different one. In a control condition, children watched the same video but could then retrieve the reward irrespective of their partner's choice (i.e., no coordination was necessary). Children followed the majority more often when coordination was required. Moreover, conformers mostly justified their choices by referring to the majority from the video demonstration. This study is the first to show that young children are able to strategically coordinate decisions with peers by conforming to the majority. PMID:25495153

  2. Weak turbulence theory for reactive instability

    SciTech Connect

    Yoon, P. H.

    2010-11-15

    In the present paper, the customary weak turbulence theory is generalized to include reactive instabilities. For the sake of simplicity, the formalism assumes electrostatic perturbation propagating in one-dimensional uniform unmagnetized plasmas. By weak turbulence theory it is meant as the perturbative nonlinear theory based upon Vlasov equation, truncated at the second (or up to third) order nonlinearity and ensemble averaged. By reactive instability it is meant as the plasma instability whose growth rate is not necessarily exceedingly small. The traditional weak turbulence theory found in the literature is applicable only to weakly growing plasma instabilities whose real frequency {omega}{sub k} can be determined from the real part of the dispersion relation, Re {epsilon}(k,{omega}{sub k})=0, while the growth rate may be determined by the Landau formula, {gamma}{sub k}=-Im {epsilon}(k,{omega}{sub k})[{partial_derivative} Re {epsilon}(k,{omega}{sub k})/{partial_derivative}{omega}{sub k}]{sup -1}. This implies the assumption that |{gamma}{sub k}|<<{omega}{sub k}. On the other hand, for reactive instabilities for which {gamma}{sub k}/{omega}{sub k} is not necessarily small, the real frequency and growth/damping rate must be determined from the complex roots of the dispersion relation, {epsilon}(k,{omega}{sub k}+i{gamma}{sub k})=0. The present paper extends the textbook weak turbulence theory to deal with such a situation.

  3. Solvent-resistant microporous polymide membranes

    DOEpatents

    Miller, Warren K.; McCray, Scott B.; Friesen, Dwayne T.

    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.

  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. Copper leaching, solvent extraction, and electrowinning technology

    SciTech Connect

    Jergensen, G.V. II

    1999-07-01

    This volume recognizes the growing role of solvent extraction and electrowinning technology in the global copper business. This process is an efficient and cost effective way to extract copper. This proceedings documents the present status of the SX-EW business. It represents a substantial body of historical, scientific, engineering, and commercial information regarding the growth and application of the technology. Sections include: the business and technology of SX-EW, theory and practice of copper leaching, theory and practice of tankhouse operations, and theory and practice of solvent extraction.

  6. Catalog solvent extraction: anticipate process adjustments

    SciTech Connect

    Campbell, S.G.; Brass, E.A.; Brown, S.J.; Geeting, M.W.

    2008-07-01

    The Modular Caustic-Side Solvent Extraction Unit (MCU) utilizes commercially available centrifugal contactors to facilitate removal of radioactive cesium from highly alkaline salt solutions. During the fabrication of the contactor assembly, demonstrations revealed a higher propensity for foaming than was initially expected. A task team performed a series of single-phase experiments that revealed that the shape of the bottom vanes and the outer diameter of those vanes are key to the successful deployment of commercial contactors in the Caustic-Side Solvent Extraction Process. (authors)

  7. Design of solvents for extractive distillation

    SciTech Connect

    Dyk, B. van; Nieuwoudt, I.

    2000-05-01

    A method is proposed for the computer-aided molecular design of solvents for extractive distillation. The method is based on a genetic algorithm and uses UNIFAC to estimate relative volatilities. Joback's group contribution methods are used to estimate boiling and freezing points. A number of enhancements, including seeding, evolving fitness functions, and biased gene selection have been included. The method has been implemented in a computer program that runs on a standard desktop computer. A number of industrially significant systems were investigated, and the predicted solvents compare very favorably with those that are currently in use.

  8. Solvent-free fluidic organic dye lasers.

    PubMed

    Choi, Eun Young; Mager, Loic; Cham, Tran Thi; Dorkenoo, Kokou D; Fort, Alain; Wu, Jeong Weon; Barsella, Alberto; Ribierre, Jean-Charles

    2013-05-01

    We report on the demonstration of liquid organic dye lasers based on 9-(2-ethylhexyl)carbazole (EHCz), so-called liquid carbazole, doped with green- and red-emitting laser dyes. Both waveguide and Fabry-Perot type microcavity fluidic organic dye lasers were prepared by capillary action under solvent-free conditions. Cascade Frster-type energy transfer processes from liquid carbazole to laser dyes were employed to achieve color-variable amplified spontaneous emission and lasing. Overall, this study provides the first step towards the development of solvent-free fluidic organic semiconducting lasers and demonstrates a new kind of optoelectronic applications for liquid organic semiconductors. PMID:23669993

  9. Polar solvent effects on tartaric acid binding by aromatic oligoamide foldamer capsules.

    PubMed

    Chandramouli, Nagula; El-Behairy, Mohammed Farrag; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan

    2016-02-16

    Aromatic oligoamide sequences able to fold into single helical capsules were functionalized with two types of side chains to make them soluble in various solvents such as chloroform, methanol or water and their propensity to recognize tartaric acid was evaluated. The binding affinities to tartaric acid and binding thermodynamics in different media were investigated by variable temperature (1)H NMR and ITC experiments, the two methods giving consistent results. We show that tartaric acid binding mainly rests on enthalpically favourable polar interactions that were found to be sufficiently strong to be effective in the presence of a polar aprotic solvent (DMSO) and even in pure methanol. Binding in water was very weak. The stronger binding interactions were found to be more susceptible to the effect of competitive solvents and compensated by unfavourable entropic effects. Thus, the best host in a less polar medium eventually was found to be the worst host in protic solvents. An interesting case of entropically driven binding was evidenced in methanol. PMID:26815289

  10. Solvation and dissociation in weakly ionized polyelectrolytes.

    PubMed

    Onuki, Akira; Okamoto, Ryuichi

    2009-03-26

    We present a Ginzburg-Landau theory of inhomogeneous polyelectrolytes with a polar solvent. First, we take into account the molecular (solvation) interaction among the ions, the charged monomers, the uncharged monomers, and the solvent molecules, together with the electrostatic interaction with a composition-dependent dielectric constant. Second, we treat the degree of ionization as a fluctuating variable dependent on the local electric potential. With these two ingredients included, our results are as follows. (i) We derive a mass reaction law and a general expression for the surface tension. (ii) We calculate the structure factor of the composition fluctuations as a function of various parameters of the molecular interactions, which provides a general criterion of the formation of mesophases. (iii) We numerically examine some typical examples of interfaces and mesophase structures, which strongly depend on the molecular interaction parameters. PMID:19673141

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

    USGS Publications Warehouse

    Zhou, N.; Wu, J.; Yu, Z.; Neuman, R.D.; Wang, D.; Xu, G.

    1997-01-01

    Three acidic extractants (I) di(2-ethylhexyl) phosphoric acid (HDEHP), (II) 2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester (HEHPEHE) and (III) naphthenic acid were employed in preparing the samples for the characterization of the coordination structure of lanthanide-extractant complexes and the physicochemical nature of aggregates formed in the organic diluent of the solvent extraction systems. Photo correlation spectroscopy (PCS) results on the aggregates formed by the partially saponified HDEHP in n-heptane showed that the hydrodynamic radius of the aggregates was comparable to the molecular dimensions of HDEHP. The addition of 2-octanol into the diluent, by which the mixed solvent was formed, increased the dimensions of the corresponding aggregates. Aggregates formed from the lanthanide ions and HDEHP in the organic phase of the extraction systems were found very unstable. In the case of naphthenic acid, PCS data showed the formation of w/o microemulsion from the saponified naphthenic acid in the mixed solvent. The extraction of lanthanides by the saponified naphthenic acid in the mixed solvent under the given experimental conditions was a process of destruction of the w/o microemulsion. A possible mechanism of the breakdown of the w/o microemulsion droplets is discussed.

  12. Solvent effects on the structures and magnetic properties of two doubly interpenetrated metal-organic frameworks.

    PubMed

    Huang, Fu-Ping; Yang, Cheng; Li, Hai-Ye; Yao, Peng-Fei; Qin, Xiao-Huan; Yan, Shi-Ping; Kurmoo, Mohamedally

    2015-04-14

    Two doubly interpenetrated coordination polymers [Co2(BDC)2(bpt)2]nSolvent based on dimeric secondary building units and crystallizing with distinct solvent molecules (-H2O and -MeOH for nSolvent = 2H2O and MeOHH2O, respectively) were obtained by employing 1,4-benzenedicarboxylate (BDC) and 1H-3,5-bis(4-pyridyl)-1,2,4-triazole) (bpt) as linkers. The structures consist of a square grid of dimers bridged by BDC and pillared by bpt. Thermogravimetry and PXRD indicate that the frameworks are stable and are retained up to 400 C, but the structures are modified irreversibly. -H2O, high-symmetry Pna21, exhibits antiferromagnetic coupling within the dimer, while -MeOH, low-symmetry P21/n, exhibits ferromagnetic coupling. Upon desolvation, the -de and -de couplings are antiferromagnetic but reduced. Subsequent resolvation to -H2O and -MeOH resulted in a slight increase of the antiferromagnetic coupling without attaining the virgin states. The interesting difference of magnetic properties between -H2O and -MeOH, the solvated/desolvated phases, particularly at low temperature, indicates that there is a prominent solvent effect. PMID:25758296

  13. A Solvent-Free Lipid Bilayer Model Using Multiscale Coarse-Graining

    PubMed Central

    Izvekov, Sergei; Voth, Gregory A.

    2009-01-01

    The multiscale coarse-graining (MS-CG) approach developed in our previous work is extended here to model solvent-free lipid bilayers. The water (solvent) molecules are completely integrated out of the coarse-grained (CG) effective force field. The MS-CG force field, a sum of pairwise central forces, accurately approximates the many-body potential of mean force in the coarse-grained coordinates. It thus incorporates both energetic and entropic contributions. To improve the stability and elastic properties of the MS-CG simulated bilayer, an additional constraint was adopted: the partial virial associated with CG bilayer sites was matched to its corresponding atomistic value for each configuration of the system. The resulting solvent-free MS-CG model reproduces a liquid-state lipid bilayer with accurate structural and elastic properties. Finally, the solvent-free MS-CG model is used to simulate a very large, flat bilayer and two liposome geometries, demonstrating its greatly enhanced computational efficiency. PMID:19267467

  14. The structures of CyMe4-BTBP complexes of americium(iii) and europium(iii) in solvents used in solvent extraction, explaining their separation properties.

    PubMed

    Ekberg, Christian; Lfstrm-Engdahl, Elin; Aneheim, Emma; Foreman, Mark R StJ; Geist, Andreas; Lundberg, Daniel; Denecke, Melissa; Persson, Ingmar

    2015-11-14

    Separation of trivalent actinoid (An(iii)) and lanthanoid (Ln(iii)) ions is extremely challenging due to their similar ionic radii and chemical properties. Poly-aromatic nitrogen compounds acting as tetradentate chelating ligands to the metal ions in the extraction, have the ability to sufficiently separate An(iii) from Ln(iii). One of these compounds, 6,6'-bis(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-benzol[1,2,4]triazin-3-yl)[2,2]bipyridine, CyMe4-BTBP, has proven to be resistant towards acidic environments and strong radiation from radioactive decomposition. EXAFS studies of the dicomplexes of CyMe4-BTBP with americium(iii) and europium(iii) in nitrobenzene, cyclohexanone, 1-hexanol, 1-octanol and malonamide (DMDOHEMA) in 1-octanol have been carried out to get a deeper understanding of the parameters responsible for the separation. The predominating complexes independent of solvent used are [Am(CyMe4-BTBP)2(NO3)](2+) and [Eu(CyMe4-BTBP)2](3+), respectively, which are present as outer-sphere ion-pairs with nitrate ions in the studied solvents with low relative permittivity. The presence of a nitrate ion in the first coordination sphere of the americium(iii) complex compensates the charge density of the complex considerably in comparison when only outer-sphere ion-pairs are formed as for the [Eu(CyMe4-BTBP)2](3+) complex. The stability and solubility of a complex in a solvent with low relative permittivity increase with decreasing charge density. The [Am(CyMe4-BTBP)2(NO3)](2+) complex will therefore be increasingly soluble and stabilized over the [Eu(CyMe4-BTBP)2](3+) complex in solvents with decreasing relative permittivity of the solvent. The separation of americium(iii) from europium(iii) with CyMe4-BTBP as extraction agent will increase with decreasing relative permittivity of the solvent, and thereby also with decreasing solubility of CyMe4-BTBP. The choice of solvent is therefore a balance of a high separation factor and sufficient solubility of the CyMe4-BTBP ligand. PMID:26426842

  15. Weak Acid Ionization Constants and the Determination of Weak Acid-Weak Base Reaction Equilibrium Constants in the General Chemistry Laboratory

    ERIC Educational Resources Information Center

    Nyasulu, Frazier; McMills, Lauren; Barlag, Rebecca

    2013-01-01

    A laboratory to determine the equilibrium constants of weak acid negative weak base reactions is described. The equilibrium constants of component reactions when multiplied together equal the numerical value of the equilibrium constant of the summative reaction. The component reactions are weak acid ionization reactions, weak base hydrolysis

  16. Weak Acid Ionization Constants and the Determination of Weak Acid-Weak Base Reaction Equilibrium Constants in the General Chemistry Laboratory

    ERIC Educational Resources Information Center

    Nyasulu, Frazier; McMills, Lauren; Barlag, Rebecca

    2013-01-01

    A laboratory to determine the equilibrium constants of weak acid negative weak base reactions is described. The equilibrium constants of component reactions when multiplied together equal the numerical value of the equilibrium constant of the summative reaction. The component reactions are weak acid ionization reactions, weak base hydrolysis…

  17. 47 CFR 95.1113 - Frequency coordinator.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions 95.1113 Frequency coordinator. (a... for the operation of medical telemetry devices. (b) The frequency coordinator shall (1) Review...

  18. 47 CFR 95.1113 - Frequency coordinator.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions 95.1113 Frequency coordinator. (a... for the operation of medical telemetry devices. (b) The frequency coordinator shall (1) Review...

  19. 47 CFR 95.1113 - Frequency coordinator.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions 95.1113 Frequency coordinator. (a... for the operation of medical telemetry devices. (b) The frequency coordinator shall (1) Review...

  20. 47 CFR 95.1113 - Frequency coordinator.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions 95.1113 Frequency coordinator. (a... for the operation of medical telemetry devices. (b) The frequency coordinator shall (1) Review...