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Sample records for approach involving ionic

  1. First principles approach to ionicity of fragments

    Science.gov (United States)

    Pilania, Ghanshyam; Liu, Xiang-Yang; Valone, Steven M.

    2015-02-01

    We develop a first principles approach towards the ionicity of fragments. In contrast to the bond ionicity, the fragment ionicity refers to an electronic property of the constituents of a larger system, which may vary from a single atom to a functional group or a unit cell to a crystal. The fragment ionicity is quantitatively defined in terms of the coefficients of contributing charge states in a superposition of valence configurations of the system. Utilizing the constrained density functional theory-based computations, a practical method to compute the fragment ionicity from valence electron charge densities, suitably decomposed according to the Fragment Hamiltonian (FH) model prescription for those electron densities, is presented for the first time. The adopted approach is illustrated using BeO, MgO and CaO diatomic molecules as simple examples. The results are compared and discussed with respect to the bond ionicity scales of Phillips and Pauling.

  2. First principles approach to ionicity of fragments

    Energy Technology Data Exchange (ETDEWEB)

    Pilania, Ghanshyam, E-mail: gpilania@lanl.gov; Liu, Xiang-Yang; Valone, Steven M.

    2015-02-20

    Highlights: • A novel first principles approach towards the fragment ionicity. • Constrained DFT and valance charge density decomposition were employed. • Correct dissociation limit achieved for diatomics. • Ionicity is an input parameter for a new class of atomistic potentials. - Abstract: We develop a first principles approach towards the ionicity of fragments. In contrast to the bond ionicity, the fragment ionicity refers to an electronic property of the constituents of a larger system, which may vary from a single atom to a functional group or a unit cell to a crystal. The fragment ionicity is quantitatively defined in terms of the coefficients of contributing charge states in a superposition of valence configurations of the system. Utilizing the constrained density functional theory-based computations, a practical method to compute the fragment ionicity from valence electron charge densities, suitably decomposed according to the Fragment Hamiltonian (FH) model prescription for those electron densities, is presented for the first time. The adopted approach is illustrated using BeO, MgO and CaO diatomic molecules as simple examples. The results are compared and discussed with respect to the bond ionicity scales of Phillips and Pauling.

  3. Microwave-Assisted Esterification of N-Acetyl-L-Phenylalanine Using Modified Mukaiyama’s Reagents: A New Approach Involving Ionic Liquids

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    Olarongbe Olubajo

    2008-01-01

    Full Text Available Inspired by the concept of ionic liquids (ILs, this study modified the original Mukaiyama’s reagent, 2-chloro-1-methylpyridinium iodide (m.p. 200-dec, from ionic solid into liquids by changing its anion. The esterification of N-acetyl-L-phenylalanine was investigated as a model reaction. The microwave irradiation was more effective in esterifying N-acetyl-L-phenylalanine than the conventional reflux method. The original Mukaiyama’s reagent was modified into ILs through manipulating its anion. However, only non-nucleophilic anions (such as EtSO4- and Tf2N- were favorable since nucleophilic ones (such as CF3COO- and CH3COO- could exchange with chlorine resulting in non-reactive coupling reagents. Two modified Mukaiyama’s compounds (i.e. hydrophilic [2- ClMePy][EtSO4] and hydrophobic [2-ClMePy][Tf2N] have been identified as the best ILtype coupling reagents. The esterification reaction was greatly enhanced by using 1- methylimidazole as the base instead of conventional toxic tertiary amines, and by using excess amount of alcohols as solvents instead of dichloromethane. Overall, the method reported is effective and ‘greener’.

  4. Correlation of three-liquid-phase equilibria involving ionic liquids.

    Science.gov (United States)

    Rodríguez-Escontrela, I; Arce, A; Soto, A; Marcilla, A; Olaya, M M; Reyes-Labarta, J A

    2016-08-03

    The difficulty in achieving a good thermodynamic description of phase equilibria is finding a model that can be extended to a large variety of chemical families and conditions. This problem worsens in the case of systems containing more than two phases or involving complex compounds such as ionic liquids. However, there are interesting applications that involve multiphasic systems, and the promising features of ionic liquids suggest that they will play an important role in many future processes. In this work, for the first time, the simultaneous correlation of liquid-liquid and liquid-liquid-liquid equilibrium data for ternary systems involving ionic liquids has been carried out. To that end, the phase diagram of the water + [P6 6 6 14][DCA] + hexane system has been determined at 298.15 K and 323.15 K and atmospheric pressure. The importance of this system lies in the possibility of using the surface active ionic liquid to improve surfactant enhanced oil recovery methods. With those and previous measurements, thirteen sets of equilibrium data for water + ionic liquid + oil ternary systems have been correlated. The isoactivity equilibrium condition, using the NRTL model, and some pivotal strategies are proposed to correlate these complex systems. Good agreement has been found between experimental and calculated data in all the regions (one triphasic and two biphasic) of the diagrams. The geometric aspects related to the Gibbs energy of mixing function obtained using the model, together with the minor common tangent plane equilibrium condition, are valuable tools to check the consistency of the obtained correlation results.

  5. Aqueous biphasic systems involving alkylsulfate-based ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Deive, Francisco J. [Instituto de Tecnologia Quimica e Biologica, UNL, Av. Republica, Apartado 127, 2780-901 Oeiras (Portugal); Department of Chemical Engineering, University of Vigo, P.O. Box 36310, Vigo (Spain); Rodriguez, Ana [Department of Chemical Engineering, University of Vigo, P.O. Box 36310, Vigo (Spain); Marrucho, Isabel M., E-mail: imarrucho@itqb.unl.pt [Instituto de Tecnologia Quimica e Biologica, UNL, Av. Republica, Apartado 127, 2780-901 Oeiras (Portugal); Rebelo, Luis P.N. [Instituto de Tecnologia Quimica e Biologica, UNL, Av. Republica, Apartado 127, 2780-901 Oeiras (Portugal)

    2011-11-15

    Highlights: > K{sub 3}PO{sub 4}, K{sub 2}CO{sub 3}, Na{sub 2}CO{sub 3}, and (NH{sub 4}){sub 2}SO{sub 4} act as phase promoter in aqueous solutions of ILs. > Remarkable influence of alkyl-chain length on solubility curves of alkylsulfate-based ILs. > Merchuck correlation was used for describing these systems. > {Delta}S{sub hyd} and Hofmeister series were used to discuss the different salting out effects. - Abstract: The specific effects of K{sub 3}PO{sub 4}, K{sub 2}CO{sub 3}, Na{sub 2}CO{sub 3}, and (NH{sub 4}){sub 2}SO{sub 4}, as high charge-density inorganic salts and thus inducers of the formation of aqueous biphasic systems (ABS) containing several ethyl-methylimidazolium alkylsulfate ionic liquids, C{sub 2}MIM C{sub n}SO{sub 4} (n = 2, 4, 6, or 8), have been assessed at T = 298.15 K. The results are analyzed in the light of the Hofmeister series. The influence of different alkyl chain lengths in the anion, together with the ability of the selected inorganic salts to induce the formation of ABS, is discussed. Phase diagrams have been determined through turbidimetry, including tie lines assignments from mass phase ratios according to the lever - arm rule. The Merchuck equation was satisfactorily used to correlate the solubility curve.

  6. A model for the occurrence and analysis of ionic thermocurrent spectrum involving different orders of kinetics

    Indian Academy of Sciences (India)

    Jai Prakash

    2013-01-01

    Ionic thermocurrent (ITC) spectrum is much similar to a thermoluminescence (TL) glow curve involving monomolecular kinetics. It has already been reported that different orders of kinetics are involved in TL processes, which depend specifically on the extent of recombination and simultaneous retrapping. It is found that the involvement of different orders of kinetics in ITC spectrum depends on the experimental conditions of polarization and rate of rapid cooling. Consequently, order of kinetics involved in the ITC spectrum does not represent any specific feature of the system under investigation. An equation is developed which explains the occurrence of ITC spectrum involving any order of kinetics. Dielectric relaxation parameters, order of kinetics and approximate number of dipoles per unit volume are evaluated conveniently and easily following the proposed model.

  7. Involving students in experimental design: three approaches.

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    McNeal, A P; Silverthorn, D U; Stratton, D B

    1998-12-01

    Many faculty want to involve students more actively in laboratories and in experimental design. However, just "turning them loose in the lab" is time-consuming and can be frustrating for both students and faculty. We describe three different ways of providing structures for labs that require students to design their own experiments but guide the choices. One approach emphasizes invertebrate preparations and classic techniques that students can learn fairly easily. Students must read relevant primary literature and learn each technique in one week, and then design and carry out their own experiments in the next week. Another approach provides a "design framework" for the experiments so that all students are using the same technique and the same statistical comparisons, whereas their experimental questions differ widely. The third approach involves assigning the questions or problems but challenging students to design good protocols to answer these questions. In each case, there is a mixture of structure and freedom that works for the level of the students, the resources available, and our particular aims.

  8. Why is the electroanalytical performance of carbon paste electrodes involving an ionic liquid binder higher than paraffinic binders? A simulation investigation.

    Science.gov (United States)

    Ghatee, M H; Namvar, S; Zolghadr, A R; Moosavi, F

    2015-10-14

    Recently, carbon paste electrodes (CPE) fabricated using an ionic liquid (IL) binder have shown enhanced electroanalytical performance over conventional paraffinic binders. Molecular dynamics (MD) simulations of graphite mixed with ionic liquid and with paraffin binder can unravel the potential atomistic factors responsible for such enhancement. Based on an experimentally optimized binder/graphite mass ratio, which has been reported to be crucial for such a performance, comprehensive simulations (at 323 K) are performed with the ensembles involving an ionic liquid binder (1-butyl-3-methylimidazolium hexafluorophosphate, [C4mim]PF6) and a paraffin binder (n-C20H42) mixed with graphite comprising large-size hexagonal-shaped double graphene plates. Structural analysis indicates both binders form only a monolayer on the graphite surface, covering the surface locally by IL but all-encompassing by paraffin. With charged and uncharged graphite, the IL monolayer tends to cover mainly the graphite center without approaching the edge planes. On the contrary, a monolayer of the paraffin binder covers uniformly the center, near the center, and the edge planes. Cations and anions of the IL form well-defined two dimensional pentagonal matrixes with characteristic high adsorption energy, almost 2.4 times higher than paraffin adsorption. The cation and anion coordination ability of the IL is responsible for such a local distribution. The simulation of these phenomena under experimental conditions unravels strong two-dimensional coordination properties inherent to the ionic liquid when distributed over the graphite surface. This direct MD simulation comparison of the IL properties with an organic liquid counterpart, made for the first time, can be used to explain the high electroanalytical performance (electron transfer) of CPEs involving an IL binder over paraffin binders.

  9. [Fouling behavior of sodium alginate during microfiltration at various ionic compositions: XDLVO approach].

    Science.gov (United States)

    Zhao, Ying-Xu; Zong, Rui-Qiang; Gao, Xin-Yu; Xie, Hui-Jun; Yin, Yong-Quan; Liang, Shuang

    2014-04-01

    The extended Derjaguin-Laudau-Verwey-Overbeek (XDLVO) theory was utilized to quantitatively evaluate short-range interfacial interactions involved in microfiltration (MF) membrane fouling by sodium alginate (SA) at various ionic compositions. Results showed that for hydrophilic membrane surfaces, van der Waals interactions facilitated fouling, whereas acid-base interactions alleviated fouling; for hydrophobic membrane surfaces, however, van der Waals interactions mitigated fouling and acid-base interactions turned out to be favorable for fouling. Electrostatic double layer interactions contributed minimally to fouling when SA molecules came into contact with MF membrane surface. Ionic strength and Ca2+ affected SA fouling of MF membranes mainly through alteration of acid-base interactions between membrane and SA or among SA themselves. Higher ionic strength could make acid-base interaction less repulsive or more attractive, thus aggravating SA fouling of MF membrane. Although Ca2+ accelerated flux decline significantly, Ca2+ could enhance physical cleaning efficiencies. Under all tested ionic compositions, fouling potentials (K) of initial and subsequent stages correlated well with membrane-SA interfacial free energy of adhesion and SA-SA interfacial free energy of cohesion, respectively. This implies that the XDLVO theory is applicable for description of MF membrane fouling by SA at various ionic compositions.

  10. The role of hydrogen atoms in interactions involving imidazolium-based ionic liquids

    Science.gov (United States)

    Kempter, V.; Kirchner, B.

    2010-05-01

    In the first part of this report experimental results are discussed which focus onto the importance of hydrogen atoms in the interaction of imidazolium-based ionic liquids. These include examples for the cation-anion interaction in neat ionic liquids as well as the interactions between ionic liquids and their molecular environment, water in particular. Most of the studies emphasize the importance of the C(2)-H group of the imidazolium ring for the intra- and intermolecular interactions; commonly, the interactions of the type C-H … X (X =: O, halide) are attributed to "hydrogen bonding". In the second part it is analyzed whether these interactions and their consequences fulfill the criteria set by standard definitions of hydrogen bonding. Two cation-anion co-conformations at the C(2)-H group are found. One co-conformer (in-plane) often resembles a hydrogen bond while the other one (on-top) points to a non-hydrogen bonding behavior. Furthermore, the degree of hydrogen bonding for the in-plane structure is very dependent on the anion. Spatial distribution functions show that, in general, both co-conformations are occupied. However, the question of how long a particular co-conformer is populated in the liquid state has yet to be answered. Therefore, it is concluded that the term "hydrogen bond" should, at present, be treated with care to characterize the cation-anion contacts, because of the above-mentioned difficulties. Once more it must be stressed that oversimplifications and generalizations, even for this subclass of ionic liquids have to be avoided, because these liquids are more complicated than it appears from first sight.

  11. Polycation graft copolymers accelerating DNA strand exchange: involvement of ionic interaction.

    Science.gov (United States)

    Kim, W J; Ishihara, T; Akaike, T; Maruyama, A

    2001-01-01

    In the previous study (Chem. Eur. J., 7, 176 (2001)) we demonstrated that the comb-type polycationic copolymer (PLL-g-Dex) which is composed of poly (L-lysine) backbone and dextran graft chains expedited the DNA strand exchange reaction. In this study, fluorescence resonance energy transfer (FRET) was employed to explore the copolymer-mediated DNA strand exchange with higher time-resolution. To initiate strand exchange reaction the duplex prepared from 3'-fluorescein isothiocyanate (FITC)--and 5'-carboxytetramethylrhodamine(TAMRA)-labeled complementary DNAs was added to its non-labeled complementary single strand. DNA strand exchange was monitored by observing the recovery of the FITC quenching. More than 20,000 times increase in strand exchange rate at 37 degrees C by the copolymer was estimated. To investigate the accelerating mechanisms of the copolymer, the same reactions but at various ionic strenghts were studied. With increasing ionic strengths the strand exchange rate in the absence of the copolymer increased, suggesting that ionic repulsion among DNAs is unfavorable for the strand exchange to occur. Hence, alleviation of the electrostatic repulsion through interpolyelectrolyte complex formation is probably a role of the copolymer for accelerating the strand exchange reaction.

  12. Scaling Consumers' Purchase Involvement: A New Approach

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    Jörg Kraigher-Krainer

    2012-06-01

    Full Text Available A two-dimensional scale, called ECID Scale, is presented in this paper. The scale is based on a comprehensive model and captures the two antecedent factors of purchase-related involvement, namely whether motivation is intrinsic or extrinsic and whether risk is perceived as low or high. The procedure of scale development and item selection is described. The scale turns out to perform well in terms of validity, reliability, and objectivity despite the use of a small set of items – four each – allowing for simultaneous measurements of up to ten purchases per respondent. The procedure of administering the scale is described so that it can now easily be applied by both, scholars and practitioners. Finally, managerial implications of data received from its application which provide insights into possible strategic marketing conclusions are discussed.

  13. Water and ionic liquid synergy: A novel approach for the synthesis of benzothiazole-2(3H-one

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    Malik A. Waseem

    2015-05-01

    Full Text Available Synergy between water, a green reaction medium and ionic liquid, a green catalyst has opened new vistas in the field of organic transformation. The developed methodology has emerged as an interesting combination for an environmentally benign, facile and efficient synthesis of benzothiazole-2(3H-one. Product was achieved in excellent yield by the reaction of structurally diverse 2-iodoanilines with potassium thiocyanate. The strategy involves nucleophilic substitution forming NC and SC bonds resulting in the desired heterocyclic scaffold. This novel approach is also helpful for the synthesis of other related heterocycles for the development of an important drug like library. The reaction proceeded smoothly at an ambient temperature.

  14. Application of a density functional approach to nonuniform ionic fluids: the effect of association

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    J.Reszko-Zygmunt

    2004-01-01

    Full Text Available In the present paper we discuss a density functional approach for nonuniform ionic fluids, which takes into account the existence of ion pairs. The theory is based on a fundamental measure theory of hard-spheres, the theory of Gillespie et al., which leads to a more accurate description of the electrostatic part of the grand potential as well as on Wertheim's association theory. The results of model calculations indicate that the inclusion of the associative term in the grand potential leads to the structure of the double layer, which differs from the structure evaluated by neglecting the association. These differences are important at low temperatures only.

  15. Electrochemical synthesis of nanosized TiO{sub 2} nanopowder involving choline chloride based ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Anicai, Liana, E-mail: lanicai@itcnet.ro [POLITEHNICA University of Bucharest, Center of Surface Science and Nanotechnology, Splaiul Independentei 313, Bucharest, 060042 (Romania); Petica, Aurora [Leather and Footwear Research Institute (ICPI), Ion Minulescu 93, Bucharest, 031215 (Romania); Patroi, Delia; Marinescu, Virgil; Prioteasa, Paula [INCDIE ICPE-Advanced Research, Splaiul Unirii 313, Bucharest (Romania); Costovici, Stefania [POLITEHNICA University of Bucharest, Center of Surface Science and Nanotechnology, Splaiul Independentei 313, Bucharest, 060042 (Romania)

    2015-09-15

    Highlights: • TiO{sub 2} nanopowder electrochemically prepared using choline chloride based ionic liquids. • The new proposed method allowed high anodic synthesis efficiencies of minimum 92%. • High surface area of the electrochemically synthesized titania nanopowders. • Enhanced photocatalytic activity. - Abstract: The paper presents some experimental results regarding the electrochemical synthesis of TiO{sub 2} nanopowders through anodic dissolution of Ti metal in choline chloride based eutectic mixtures (DES). A detailed characterization of the obtained titania has been performed, using various techniques, including XRD, Raman spectroscopy, XPS, SEM associated with EDX analysis, BET and UV–vis diffuse reflectance spectra. The anodic behavior of Ti electrode in DES has been also investigated. The photoreactivity of the synthesized materials was evaluated for the degradation of Orange II dye under UV (λ = 365 nm) and visible light irradiation. An anodic synthesis efficiency of minimum 92% has been determined. The as-synthesized TiO{sub 2} showed amorphous structure and a calcination post-treatment at temperatures between 400 and 600 °C yielded anatase. The anodically obtained nanocrystalline oxides have crystallite sizes of 8–18 nm, a high surface area and enhanced photocatalytic effect.

  16. Reversed-phase ion-pair liquid chromatographic method for determination of reaction equilibria involving ionic species: exemplification of the method using ligand substitution reactions of ethylenediaminetetraacetatochromium(III) ion with acetate and phosphate ions.

    Science.gov (United States)

    Sato, Emiko; Miya, Seiko; Saitoh, Kazunori; Saito, Shingo; Shibukawa, Masami

    2011-02-18

    A reversed-phase ion-pair liquid chromatographic method is presented for the determination of reaction equilibria involving ionic species of the same charge sign as reactant and product compounds. It has been demonstrated that ion-exchange chromatography or reversed-phase ion-pair chromatography is a useful tool for the determination of equilibrium constants of chemical reactions involving ionic species such as metal complexation reactions. Previous work with these methods has been based on the assumption that the limiting retention factors of the reactant and product species are constant independent of concentration of the chemical species (X) in the mobile phase, which reacts with the analyte compound. However, when all the reactant and product species are ions of the same charge sign as that of the species X, it is virtually impossible to apply these methods to the equilibrium constant determination because the retention factors of both the reactant and product species may depend on the concentration of X. In this study, an alternative approach was developed that estimates the limiting retention factors of ionic species from the dependence of the retention factor on the ionic strength of the mobile phase. Ligand substitution reactions of ethylenediaminetetraacetatochromium(III) ion with acetate and phosphate ions were used as model reactions to test this method. The equilibrium constants determined by this method are in good agreement with those obtained by a UV-visible spectrophotometric method.

  17. Straightforward approach to graft bioactive polysaccharides onto polyurethane surfaces using an ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Bigot, Sandra [Normandie Université, INSA de Rouen, CNRS UMR 6270 FR 3038, Avenue de l’université BP08, 76801 Saint-Etienne du Rouvray (France); Louarn, Guy [Institut des Matériaux Jean Rouxel (IMN), UMR 6502, CNRS-Université de Nantes, 2 rue de la Houssinière, BP 32229, 44322 Nantes (France); Kébir, Nasreddine, E-mail: nasreddine.kebir@insa-rouen.fr [Normandie Université, INSA de Rouen, CNRS UMR 6270 FR 3038, Avenue de l’université BP08, 76801 Saint-Etienne du Rouvray (France); Burel, Fabrice [Normandie Université, INSA de Rouen, CNRS UMR 6270 FR 3038, Avenue de l’université BP08, 76801 Saint-Etienne du Rouvray (France)

    2014-09-30

    Graphical abstract: - Highlights: • Development of a facile chemical process for PU surface derivatization. • Direct grafting of seaweed polysaccharides onto isothiocyanated PU surface. • Use of a selected ionic liquid as solvent and catalyst. - Abstract: Surface properties directly affect the performance of a material in a biological environment. In this study, the goal was to develop a simple procedure allowing the grafting of antibacterial polysaccharides onto biomedical grade polyurethanes (e.g. Tecothane{sup ®}). Thus, a straightforward chemical pathway involving an isothiocyanate–alcohol reaction in an ionic liquid (IL) was developed. PU isothiocyanted surfaces (PU–NCS) were first prepared by reacting p-phenylene diisothiocyanate with the surface urethane groups. Then, unmodified bioactive seaweed polysaccharides were directly grafted onto the surface, in mild conditions. The selected IL, i.e. 1-ethyl-3-methyl imidazolium phosphate, was of particular interest since this liquid worked as solvent for p-phenylene diisothiocyanate and the polysaccharides and as catalyst for the grafting reactions. Successful grafting of the different polysaccharides was attested by changes in the surface functional groups, using X-ray photoelectron spectroscopy (XPS). Atomic force microscopy (AFM) showed that polysaccharide grafting, slightly increased the surface roughness from 1.9 to more than 7 nm. Contact angle with water decreased from 88° (for native PU) to around 75° after polysaccharide grafting, attesting a more hydrophilic surface. This procedure would be transposed to the grafting onto PU surfaces of any macromolecule of interest bearing hydroxyl, thiol or amine groups.

  18. Evaluation of ultrasonic atomization as a new approach to prepare ionically cross-linked chitosan microparticles.

    Science.gov (United States)

    Albertini, Beatrice; Passerini, Nadia; Rodriguez, Lorenzo

    2005-07-01

    Ultrasonic atomization was evaluated as a new approach for the preparation of ionically cross-linked controlled-release chitosan microparticles loaded with theophylline as the model drug, using tripolyphosphate (TPP) as counter-ion. It was possible to nebulize both 2% and 3% (w/v) chitosan solutions as a function of their viscosity, usually not processed by employing the conventional nebulizer. The results of the chitosan molecular characterization using the SEC-MALS analysis revealed that ultrasonic atomization caused a certain depolymerization, probably due to the main chain scission of the 1,4-glycosidic bond; however, Fourier transform-infrared spectroscopy revealed the absence of other chemical modifications. The ultrasonic atomization allowed preparation of TPP cross-linked chitosan microparticles mostly ranging between 50 and 200 mum. As regards manufacturing parameters, the linking time and washing medium were found to affect the properties of the microparticles, while the stirring rate of the TPP solution did not show any influence. The evaluation of the formulation variables revealed that chitosan concentration strongly affected both the feasibility of the ultrasonic atomization and the drug release. All the microparticles showed an encapsulation efficiency of > 50 % and, after an initial burst effect, a controlled release of drug for 48 h. In conclusion, the ultrasonic atomization could be proposed as a robust and innovative single-step procedure with scale-up potential to successfully prepare ionically cross-linked chitosan microparticles.

  19. Teaching Approaches and Student Involvement in Learning to Write

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    Kyeongheui Kim

    2013-06-01

    Full Text Available This study examined the relationship between teaching approaches and the learning involvement of students from Korea in US college level classes by examining what these students did to complete writing assignments required for classes and what approaches professors adopted to assist students with English writing. It also examined how and why their involvement changed from active to less involvement to withdrawal or passive involvement to active involvement. In other words, this study examined how much professors’ teaching approaches influenced students’ attitudes towards English writing. Korean students who grew up in a culture where the whole society regards teachers highly expected more from their professors and were more dependent on professors. It appears that study participants’ English language proficiency also played a role in their dependency on their professors. There was a gap between these students’ expectations for professors and some of their professors’ teaching approaches. Also, there was some professors’ bias perceived by study participants, whether intentional or not, against non-native English speaking students and minority students, which disappointed and frustrated study participants and influenced these students’ degrees of involvement in learning.

  20. Involvement of caspase-12-dependent apoptotic pathway in ionic radiocontrast urografin-induced renal tubular cell injury

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Cheng Tien [Institute of Toxicology, College of Medicine, National Taiwan University, Taipei, Taiwan (China); Weng, Te I. [Department of Forensic Medicine, College of Medicine, National Taiwan University, Taipei, Taiwan (China); Chen, Li Ping [Department of Dentistry, Chang Gang Memorial Hospital, Chang Gang University, Taoyuan, Taiwan (China); Chiang, Chih Kang [Department of Integrated Diagnostics and Therapeutics, National Taiwan University Hospital and National Taiwan University College of Medicine, Taipei, Taiwan (China); Department of Internal Medicine, National Taiwan University Hospital and National Taiwan University College of Medicine, Taipei, Taiwan (China); Liu, Shing Hwa, E-mail: shinghwaliu@ntu.edu.tw [Institute of Toxicology, College of Medicine, National Taiwan University, Taipei, Taiwan (China); Department of Urology, National Taiwan University Hospital, Taipei, Taiwan (China)

    2013-01-01

    Contrast medium (CM) induces a direct toxic effect on renal tubular cells. This toxic effect subjects in the disorder of CM-induced nephropathy. Our previous work has demonstrated that CM shows to activate the endoplasmic reticulum (ER)-related adaptive unfolding protein response (UPR) activators. Glucose-regulated protein 78 (GRP78)/eukaryotic initiation factor 2α (eIF2α)-related pathways play a protective role during the urografin (an ionic CM)-induced renal tubular injury. However, the involvement of ER stress-related apoptotic signals in the urografin-induced renal tubular cell injury remains unclear. Here, we examined by the in vivo and in vitro experiments to explore whether ER stress-regulated pro-apoptotic activators participate in urografin-induced renal injury. Urografin induced renal tubular dilation, tubular cells detachment, and necrosis in the kidneys of rats. The tubular apoptosis, ER stress-related pro-apoptotic transcriptional factors, and kidney injury marker-1 (kim-1) were also conspicuously up-regulated in urografin-treated rats. Furthermore, treatment of normal rat kidney (NRK)-52E tubular cells with urografin augmented the expressions of activating transcription factor-6 (ATF-6), C/EBP homologous protein (CHOP), Bax, caspase-12, JNK, and inositol-requiring enzyme (IRE) 1 signals. Urografin-induced renal tubular cell apoptosis was not reversed by the inhibitors of ATF-6, JNK signals or CHOP siRNA transfection, but it could be partially reversed by the inhibitor of caspase-12. Taken together, the present results and our previous findings suggest that exposure of CM/urografin activates the ER stress-regulated survival- and apoptosis-related signaling pathways in renal tubular cells. Caspase-12-dependent apoptotic pathway may be partially involved in the urografin-induced nephropathy. -- Highlights: ► Ionic contrast medium-urografin induces renal tubular cell apoptosis. ► Urografin induces the ER stress-regulated survival and apoptosis

  1. Instructor support for new learning approaches involving technology

    NARCIS (Netherlands)

    Bianco, Manuela; Collis, Betty; Cooke, Andy; Margaryan, Anoush

    2002-01-01

    New learning approaches involving technology are occurring in both universities and company training settings. Critical factors in regard to these changes are the professionals in an organisation responsible for course design, development, and delivery: the instructors and those who support them. In

  2. Liver involvement in Gaucher disease - Review and clinical approach.

    Science.gov (United States)

    Adar, Tomer; Ilan, Yaron; Elstein, Deborah; Zimran, Ari

    2016-10-19

    Gaucher disease (GD), one of the most prevalent lysosomal storage diseases, is associated with glucocerebroside accumulation in cells of the monocyte-macrophage system in various organs, including the liver. Evaluating and managing liver disease in patients with Gaucher disease may be challenging. While hepatic involvement is common in Gaucher disease, its severity, and clinical significance span a wide spectrum, ranging from sub-clinical involvement to liver cirrhosis with its associated complications including portal hypertension. Apart from liver involvement in Gaucher disease, patients with may also suffer from other comorbidities involving the liver. That Gaucher disease itself can mimic hepatic lesions, affect laboratory tests used to characterize liver disease, and may be associated with non-cirrhotic portal hypertension, complicates the diagnostic approach even more. Better understanding of liver involvement in Gaucher disease can spare patients unnecessary invasive testing, and assist physicians in decision making when evaluating patients with Gaucher disease suspected for significant liver disease. This review describes the various clinical manifestations, laboratory and imaging abnormalities that may be encountered when following patients with Gaucher disease for liver involvement. The mechanism for liver disease are discussed, as well as the possible hepato-protective effect of glucocerebroside, and the a diagnostic and treatment approaches.

  3. Comprehensive approach for predicting toxicological effects of ionic liquids on several biological systems using unified descriptors

    Science.gov (United States)

    Cho, Chul-Woong; Stolte, Stefan; Yun, Yeoung-Sang

    2016-09-01

    The challenge and opportunity for design of environmentally-benign ionic liquids (ILs) would start from prediction of their toxicological effects on several endpoints solely based on the structural formulas. Especially, a comprehensive yet simple equation able to predict several biological responses to IL toxicity is of much advantage. Therefore, based on 50 toxicity testing systems on ILs a comprehensively approachable prediction method was developed. For the modelling, approximately 1600 toxicity values measured by several biological systems and an amended linear free energy relationship (LFER) model were used. Since the toxicological activities of an IL could be differently described according to sensitivity of toxicity testing systems, the sensitivity of each of toxicity testing systems was also estimated in the modelling. By statistical analysis with the calculated descriptors, a LFER model was built. Also the sensitivity value of each system on the basis of the comprehensively approachable model was numerically estimated. In results, it was observed that the combination of single model and sensitivity terms was able to predict each of 50 toxicological effects of ILs with R2 of 0.593~0.978, and SE of 0.098~0.699 log unit, and the total data set with R2 of 0.901 and SE of 0.426 log unit.

  4. Synthesis and Characterization of Novel Dimeric Ionic Liquids by Conventional Approaches

    Directory of Open Access Journals (Sweden)

    Yatimah Alias

    2008-07-01

    Full Text Available The 1H-NMR shifts of the imidazolium protons of some novel dimeric ionic liquids were examined in various deuterated solvents. Interactions between the solvent and the imidazolium salt of butyl substituted ionic liquids were observed to give higher chemical shifts than methyl substitution.

  5. Planar patch clamp approach to characterize ionic currents from intact lysosomes.

    Science.gov (United States)

    Schieder, Michael; Rötzer, Katrin; Brüggemann, Andrea; Biel, Martin; Wahl-Schott, Christian

    2010-01-01

    Since its launch in the early 1980s, the patch clamp method has been extensively used to study ion channels in the plasma membrane, but its application to the study of intracellular ion channels has been limited. Unlike the plasma membrane, intracellular membranes are usually not stable enough to withstand mechanical manipulation by glass electrodes during seal formation and rupturing of the membrane. To circumvent these problems, we developed a method involving the immobilization of isolated organelles on a solid matrix planar glass chip. This glass chip contains a microstructured hole that supports the formation of gigaseals and subsequent electrophysiological recordings despite the high fragility of intracellular membranes. Here, we report the experimental details of this method using lysosomes, which are the smallest cellular organelles, as a model system. We demonstrate that we can record endogenous ionic currents from wild-type lysosomes, as well as from lysosomes overexpressing ion channels, and expect that this method will provide electrophysiological access to a broad range of intracellular ion channels.

  6. Straightforward approach to graft bioactive polysaccharides onto polyurethane surfaces using an ionic liquid

    Science.gov (United States)

    Bigot, Sandra; Louarn, Guy; Kébir, Nasreddine; Burel, Fabrice

    2014-09-01

    Surface properties directly affect the performance of a material in a biological environment. In this study, the goal was to develop a simple procedure allowing the grafting of antibacterial polysaccharides onto biomedical grade polyurethanes (e.g. Tecothane®). Thus, a straightforward chemical pathway involving an isothiocyanate-alcohol reaction in an ionic liquid (IL) was developed. PU isothiocyanted surfaces (PU-NCS) were first prepared by reacting p-phenylene diisothiocyanate with the surface urethane groups. Then, unmodified bioactive seaweed polysaccharides were directly grafted onto the surface, in mild conditions. The selected IL, i.e. 1-ethyl-3-methyl imidazolium phosphate, was of particular interest since this liquid worked as solvent for p-phenylene diisothiocyanate and the polysaccharides and as catalyst for the grafting reactions. Successful grafting of the different polysaccharides was attested by changes in the surface functional groups, using X-ray photoelectron spectroscopy (XPS). Atomic force microscopy (AFM) showed that polysaccharide grafting, slightly increased the surface roughness from 1.9 to more than 7 nm. Contact angle with water decreased from 88° (for native PU) to around 75° after polysaccharide grafting, attesting a more hydrophilic surface. This procedure would be transposed to the grafting onto PU surfaces of any macromolecule of interest bearing hydroxyl, thiol or amine groups.

  7. Water and ionic liquid synergy: A novel approach for the synthesis of benzothiazole-2(3H)-one

    OpenAIRE

    Malik A. Waseem; Shireen; Arjita Srivastava; Anjali Srivastava; Rahila; Siddiqui, I. R.

    2015-01-01

    Synergy between water, a green reaction medium and ionic liquid, a green catalyst has opened new vistas in the field of organic transformation. The developed methodology has emerged as an interesting combination for an environmentally benign, facile and efficient synthesis of benzothiazole-2(3H)-one. Product was achieved in excellent yield by the reaction of structurally diverse 2-iodoanilines with potassium thiocyanate. The strategy involves nucleophilic substitution forming NC and SC bond...

  8. DSLM Instructional Approach to Conceptual Change Involving Thermal Expansion

    Science.gov (United States)

    She, Hsiao-Ching

    2003-01-01

    This article examines the process of students' conceptual change involving thermal expansion as a result of employing the Dual Situated Learning Model (DSLM) (She, 2001, 2002) as a classroom instructional approach. The dual situated learning events of this model are designed according to the students' ontological viewpoint of the science concepts as well as the nature of these concepts. Moreover, these events serve two functions in creating dissonance with the pre-existing knowledge and providing new schema for constructing a more scientific view of the concept. DSLM has been shown to promote students' conceptual change using one-to-one instructional procedure (She, 2002). This study further demonstrates that DSLM holds great potential to facilitate the conceptual change process involving thermal expansion through classroom instruction, even the difficult concept or higher hierarchical level one.

  9. Integrated Transport Planning Framework Involving Combined Utility Regret Approach

    DEFF Research Database (Denmark)

    Wang, Yang; Monzon, Andres; Di Ciommo, Floridea;

    2014-01-01

    Sustainable transport planning requires an integrated approach involving strategic planning, impact analysis, and multicriteria evaluation. This study aimed at relaxing the utility-based decision-making assumption by newly embedding anticipated-regret and combined utility regret decision mechanisms...... in a framework for integrated transport planning. The framework consisted of a two-round Delphi survey, integrated land use and transport model for Madrid, and multicriteria analysis. Results show that (a) the regret-based ranking has a similar mean but larger variance than the utility-based ranking does, (b...

  10. Are ionic liquids pairwise in gas phase? A cluster approach and in situ IR study.

    Science.gov (United States)

    Dong, Kun; Zhao, Lidong; Wang, Qian; Song, Yuting; Zhang, Suojiang

    2013-04-28

    In this work, we discussed the vaporization and gas species of ionic liquids (ILs) by a cluster approach of quantum statistical thermodynamics proposed by R. Luwig (Phys. Chem. Chem. Phys., 10, 4333), which is a controversial issue up to date. Based on the different sized clusters (2-12 ion-pairs) of the condensed phase, the molar enthalpies of vaporization (ΔvapH, 298.15 K, 1bar) of four representative ILs, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([Emim][NTf2]) 1-ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide ([Emmim][NTf2]) 1-ethyl-3-methylimidazolium chloride ([Emim]Cl) and ethylammonium nitrate ([EtAm][NO3]), were calculated. The predicted ΔvapH were increased remarkably; even the values of [EtAm][NO3] were larger than 700 kJ mol(-1) when the charged isolated ions were assumed to be gas species. However, the ΔvapH were close to experimental measurements when the gas species assumed to be anion-cation pairwise, indicating that the different conformational ion-pairs can coexist in the gas phase when the IL is evaporated. Particularly for the protic IL, [EtAm][NO3], even the neutral precursor molecules by proton transfer can occur in gas phase. In addition, it's found that the effect of hydrogen bonds on the vaporization cannot be negligible by comparing the ΔvapH of [Emim][NTf2] with [Emmim][NTf2]. The in situ and calculated IR spectra provided the further proof that the ions are pairwise in gas phase.

  11. Comparative Aquatic Toxicity of Gold Nanoparticles and Ionic Gold Using a Species Sensitivity Distribution Approach

    Directory of Open Access Journals (Sweden)

    Tarryn L. Botha

    2015-01-01

    Full Text Available Gold nanoparticles (nAu are used in drug delivery systems allowing for targeted cellular distribution. The effects of increased use and release of nanoparticles into the environment are not well known. A species sensitivity distribution (SSD allows for the ecotoxicological hazard assessment of a chemical based on single species toxicity tests. Aquatic toxicity needs to be related to particle characterization in order to understand the effects. The behaviour of nAu in the medium changed as the concentration increased. The toxic potential of ionic gold and nAu was expressed as a hazardous concentration where 5% of species will be harmed (HC5. The HC5 for nAu was much higher (42.78 mg/L compared to the ionic gold (2.44 mg/L. The differences between the hazard potentials of nAu and ionic gold were attributed to the nAu not releasing any Au ions into solution during the exposures and following an aggregation theory response. Exposures to ionic gold on the other hand followed a clear dose dependent response based on the concentration of the ionic metal. Although SSDs present an indication of the relative hazard potential of nanoparticles, the true worth can only be achieved once other nanoparticle characteristics and their behavior in the environment are also considered.

  12. The approaches to the definition of involvement and to types of companies-customers involvement in decision-making process

    Directory of Open Access Journals (Sweden)

    M.Yu. Troian

    2011-10-01

    Full Text Available The approaches to the definition of involvement and toits basic types classification are developed. The classification of types of companies-customers involvement is supplemented. The concept of connotative involvement is defined and scientifically proven. The basic properties of the involvement: the intensity, directionandstability are developed.

  13. Separation of Berberine Hydrochloride and Tetrahydropalmatine and Their Quantitative Analysis with Thin Layer Chromatography Involved with Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Jing Lu

    2015-01-01

    Full Text Available [BMIM]OH was used in mobile and stationary phase of thin layer chromatography (TLC to analyze berberine hydrochloride and tetrahydropalmatine for the first time. Supported imidazole ionic liquid with hydroxide ion on silica gel (SiO2·Im+·OH− was synthesized through simple procedure and characterized by Fourier transform infrared spectroscopy (FT-IR, elemental analysis, and scanning electron microscope (SEM. Moreover, on the plates prepared by SiO2·Im+·OH−, the contents of the above alkaloids in the Chinese patent medicine (CPM of “Stomacheasy” capsule were successfully determined by TLC scanner. The key conditions and chromatographic behaviors were also investigated in detail. According to similar ways, ionic liquids (ILs also can be used in other planar chromatographies in two modes. This study is expected to be helpful in expanding the application of IL and its bonded silica gel in TLC separation field.

  14. Neuropsychiatric involvement in systemic lupus erythematosus: current therapeutic approach.

    Science.gov (United States)

    Sanna, Giovanni; Bertolaccini, Maria Laura; Khamashta, Munther A

    2008-01-01

    The involvement of the central nervous system (CNS) is one of the major causes of morbidity and mortality in systemic lupus erythematosus (SLE) patients and the less understood aspect of the disease. Its recognition and treatment continue to represent a major diagnostic and therapeutic challenge. Due to the lack of controlled randomized trials, current therapeutic approach is still empirical and based on clinical experience. The therapeutic choice depends on accurate diagnosis, identification of underlying pathogenic mechanism, severity of the presenting neuropsychiatric symptoms, and on prompt identification and management of contributing causes of CNS disease. Mild neuropsychiatric manifestations may need symptomatic treatment only. In more severe CNS disease it is important to distinguish between thrombotic and non-thrombotic mechanisms. Focal CNS manifestations, particularly TIA and stroke, are associated with the presence of antiphospholipid antibodies (aPL). Anticoagulation is warranted in patients with thrombotic disease, particularly in those with the antiphospholipid (Hughes) syndrome (APS). Other CNS manifestations, such as demyelinating syndrome, transverse myelitis, chorea, seizures, migraine and/or cognitive dysfunction, when associated with persistent positivity for aPL, may also benefit from anticoagulation in selected patients. Severe diffuse CNS manifestations, such as acute confusional state, generalised seizures, mood disorders and psychosis, generally require corticosteroids in the first instance. Pulse intravenous cyclophosphamide therapy may help when more severe manifestations are refractory to corticosteroids and other immunosuppressive agents, generally when response is not seen in 3-5 days. Plasmapheresis may also be added in severe cases of symptoms refractory to conventional treatment. Intravenous immunoglobulins, mycophenolate mofetil, rituximab, intratecal methotrexate and dexametasone deserve further studies to confirm their

  15. New insight into phase equilibria involving imidazolium bistriflamide ionic liquids and their mixtures with alcohols and water.

    Science.gov (United States)

    Pereiro, Ana B; Deive, Francisco J; Rodríguez, Ana; Ruivo, Diana; Canongia Lopes, José N; Esperança, José M S S; Rebelo, Luís P N

    2010-07-15

    The fluid phase equilibria (liquid-liquid demixing behavior (LLE)) of mixtures of ionic liquids of the 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide family, [C(n)mim][NTf(2)], with 2-methylpropanol or n-octanol were investigated. Binary mixtures of [C(4)mim][NTf(2)] + alcohol and [C(6)mim][NTf(2)] + alcohol were compared to pseudobinary mixtures of (0.5[C(2)mim] + 0.5[C(6)mim])[NTf(2)] + alcohol and (0.5[C(2)mim] + 0.5[C(10)mim])[NTf(2)] + alcohol, respectively. Additionally, the presence of water in the studied alcohols or as a third component in the system was analyzed in order to check any possible deviation from the LLE observed for the anhydrous systems. Systems containing small fractions of ionic liquid show similar LLE between the corresponding binary and pseudobinary systems; however, large differences are observed in the presence of water when the IL mass fraction is increased.

  16. Teacher Training in Family Involvement: An Interpersonal Approach.

    Science.gov (United States)

    Coleman, Mick; Wallinga, Charlotte

    2000-01-01

    Discusses ways to develop family-school-community involvement, based on an early childhood teacher training course in family involvement. Discusses strategies for using Maslow's Hierarchy of Needs to facilitate family involvement interactions, and using student teachers' experiences for structuring reflective thought about family involvement…

  17. Mixed Ionic and Electonic Conductors for Hydrogen Generation and Separation: A New Approach

    Energy Technology Data Exchange (ETDEWEB)

    Srikanth Gopalan

    2006-12-31

    Composite mixed conductors comprising one electronic conducting phase, and one ionic conducting phase (MIECs) have been developed in this work. Such MIECs have applications in generating and separating hydrogen from hydrocarbon fuels at high process rates and high purities. The ionic conducting phase comprises of rare-earth doped ceria and the electronic conducting phase of rare-earth doped strontium titanate. These compositions are ideally suited for the hydrogen separation application. In the process studied in this project, steam at high temperatures is fed to one side of the MIEC membrane and hydrocarbon fuel or reformed hydrocarbon fuel to the other side of the membrane. Oxygen is transported from the steam side to the fuel side down the electrochemical potential gradient thereby enriching the steam side flow in hydrogen. The remnant water vapor can then be condensed to obtain high purity hydrogen. In this work we have shown that two-phase MIECs comprising rare-earth ceria as the ionic conductor and doped-strontium titanate as the electronic conductor are stable in the operating environment of the MIEC. Further, no adverse reaction products are formed when these phases are in contact at elevated temperatures. The composite MIECs have been characterized using a transient electrical conductivity relaxation technique to measure the oxygen chemical diffusivity and the surface exchange coefficient. Oxygen permeation and hydrogen generation rates have been measured under a range of process conditions and the results have been fit to a model which incorporates the oxygen chemical diffusivity and the surface exchange coefficient from the transient measurements.

  18. Parental Involvement in Elementary Children's Religious Education: A Phenomenological Approach

    Science.gov (United States)

    Bunnell, Peter Wayne

    2016-01-01

    The issue of parental involvement in religious education is an important one for the family, the church, the Christian school, and society. The purpose of this phenomenological study was to describe parents' concepts and practices of involvement in their children's religious education as evangelical Christian parents in Midwestern communities.…

  19. Managing supplier involvement in new product development: a portfolio approach

    NARCIS (Netherlands)

    Wynstra, Finn; Pierick, ten Eric

    2000-01-01

    Supplier involvement in new product development projects has become an increasingly popular method for improving project effectiveness (product costs and quality) and project efficiency (development costs and time). One of the key issues in managing this involvement is determining which type of invo

  20. A resolution approach of racemic phenylalanine with aqueous two-phase systems of chiral tropine ionic liquids.

    Science.gov (United States)

    Wu, Haoran; Yao, Shun; Qian, Guofei; Yao, Tian; Song, Hang

    2015-10-30

    Aqueous two-phase systems (ATPS) based on tropine type chiral ionic liquids and inorganic salt solution were designed and prepared for the enantiomeric separation of racemic phenylalanine. The phase behavior of IL-based ATPS was comprehensive investigated, and phase equilibrium data were correlated by Merchuk equation. Various factors were also systematically investigated for their influence on separation efficiency. Under the appropriate conditions (0.13g/g [C8Tropine]pro, 35mg/g Cu(Ac)2, 20mg/g d,l-phenylalanine, 0.51g/g H2O and 0.30g/g K2HPO4), the enantiomeric excess value of phenylalanine in solid phase (mainly containing l-enantiomer) was 65%. Finally, the interaction mechanism was studied via 1D and 2D NMR. The results indicate that d-enantiomer of phenylalanine interacts more strongly with chiral ILs and Cu(2+) based on the chiral ion-pairs space coordination mechanism, which makes it tend to remain in the top IL-rich phase. By contrast, l-enantiomer is transferred into the solid phase. Above chiral ionic liquids aqueous two-phase systems have demonstrated obvious resolution to racemic phenylalanine and could be promising alterative resolution approach for racemic amino acids in aqueous circumstance.

  1. A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Y; Maginn, EJ

    2012-08-23

    The atomic charges for two ionic liquids (ILs), 1-n-butyl-3-methylimidazolium hexafluorophosphate ([BMIM] [PF6]) and 1-ethyl-3-methylimidazolium hexafluorophosphate ([EMIM][PF6]), were derived from periodic crystal phase calculations with density functional theory (DFT) and plane wave basis sets (denoted as "AIMD-c charge"). For both ILs, the total charge was found to be +/- 0.8 e for the cation and anion, respectively, due to the charge transfer between ions and polarization caused by the environment. These atomic charges were used in a force field developed within the general Amber force field framework. Using this force field, static, dynamic, and thermodynamic properties were computed for the two ILs using molecular dynamics simulation. The results were compared against results obtained using the same Amber force field but four different sets of partial charges, denoted as full charge, scaled charge, AIMD-1 charge, and AIMD-b charge, respectively. The full charge was derived from quantum chemistry calculation of isolated ions in a vacuum and resulted in a total charge of unity on each ion. The scaled charge was obtained by uniformly scaling the full charge by 0.8. AIMD-1 and AIMD-b charges were derived from liquid phase ab initio molecular dynamics simulations. The scaled charges have the same total charge on the ions as the AIMD-c charge but different distributions. It was found that simulation results not only depend on the total charge of each ion, but they are also sensitive to the charge distribution within an ion, especially for dynamic and thermodynamic properties. Overall, for the two ILs under study, the AIMD-c charge was found to predict experimental results better than the other four sets of charges, indicating that fitting charges from crystal phase DFT calculations, instead of extensive sampling of the liquid phase configurations, is a simple and reliable way to derive atomic charges for condensed phase ionic liquid simulations.

  2. Involving the Young: The German Approach to Vocational Education

    Science.gov (United States)

    Hirche, Walter

    2012-01-01

    Youth unemployment is a huge challenge for sustainable development in our societies. Statistics offer an alarming picture of the involvement of youth in the labour markets on a global scale. Germany, due to a strong tradition in vocational education and training deeply rooted in its culture, has very low rates of youth unemployment. The so-called…

  3. Vessel involvement in giant cell arteritis : an imaging approach

    NARCIS (Netherlands)

    Holm, Pieter W; Sandovici, Maria; Slart, Riemer H.; Glaudemans, Andor W; Rutgers, Abraham; Brouwer, Elisabeth

    2016-01-01

    Vasculitis is classified based on the size of the involved vessels. The two major forms are small vessel vasculitis (SVV) and large vessel vasculitis (LVV). Main forms of LVV are Takayasu Arteritis (TA), Giant Cell Arteritis (GCA), Isolated Aortitis (IA) and Chronic Periaortitis (PC). This manuscrip

  4. DSLM Instructional Approach to Conceptual Change Involving Thermal Expansion.

    Science.gov (United States)

    She, Hsiao-Ching

    2003-01-01

    Examines the process of student conceptual change regarding thermal expansion using the Dual Situated Learning Model (DSLM) as an instructional approach. Indicates that DSLM promotes conceptual change and holds great potential to facilitate the process through classroom instruction at all levels. (Contains 38 references.) (Author/NB)

  5. Inquiry Role Approach: A Model for Counselor Involvement in Learning.

    Science.gov (United States)

    Bingman, Richard M.; And Others

    The Inquiry Role Approach (IRA) is a strategy for classroom learning in which students work as 4-member teams and assume roles as Team Coordinator, Process Advisor, Data Recorder, and Technical Advisor. Cognitive as well as affective objectives are identified which relate to optimum learning and personal growth in the classroom. The counselor's…

  6. Ionic and Substrate Mechanisms of Atrial Fibrillation: Rotors and the Excitation Frequency Approach

    Science.gov (United States)

    Berenfeld, Omer

    2011-01-01

    Atrial fibrillation (AF) is the most common sustained cardiac arrhythmia in humans however its mechanisms are poorly understood and its therapy is often sub-optimal. This article reviews recent experimental, numerical and clinical data on dynamics of wave propagation during AF and its mechanistic link to ionic and structural properties of the atria. At the onset, the article present numerical and optical mapping data suggesting that a presence of periodic source with increasingly high dominant frequency (DF) of excitation underlies observations of dispersion of local activation rate during AF. Further optical mapping studies in isolated normal sheep hearts in the presence of acetylcholine (ACh) reveals that rotors localized to the left atrium (LA) drive the arrhythmia and are faster than those in the right atrium (RA). Patch-clamp data from isolated cardiomycytes shows that the ACh-modulated potassium inward rectifier current is higher in the LA than in the RA which may explain the higher DFs and sensitivity of LA rotors to ACh compared with RA rotors. Following, the role of fibrosis in governing the propagation dynamics with a decrease in excitation frequency is presented in AF in failing sheep hearts and complex activation in cell cultures. Translation into the clinical setting is then discussed: DF distribution in patients with paroxysmal AF follows the LA-to-RA gradients found in the acute cholinergic AF of sheep hearts with highest DFs localized primarily to the posterior LA wall and pulmonary veins (PV) region; however in patients with persistent AF, the highest DFs localize mainly outside of the PVs region with possible implication on the outcome of ablation procedures. Next, intravenous injection of adenosine to patients in AF is demonstrated to result in further acceleration of high DF sites and suggests that reentrant activity, rather than triggered or automatic activity, maintains the arrhythmia. Finally, analysis of excitation during AF developed in

  7. Governance of environmental risk: new approaches to managing stakeholder involvement.

    Science.gov (United States)

    Benn, Suzanne; Dunphy, Dexter; Martin, Andrew

    2009-04-01

    Disputes concerning industrial legacies such as the disposal of toxic wastes illustrate changing pressures on corporations and governments. Business and governments are now confronted with managing the expectations of a society increasingly aware of the social and environmental impacts and risks associated with economic development and demanding more equitable distribution and democratic management of such risks. The closed managerialist decision-making of the powerful bureaucracies and corporations of the industrial era is informed by traditional management theory which cannot provide a framework for the adequate governance of these risks. Recent socio-political theories have conceptualised some key themes that must be addressed in a more fitting approach to governance. We identify more recent management and governance theory which addresses these themes and develop a process-based approach to governance of environmental disputes that allows for the evolving nature of stakeholder relations in a highly complex multiple stakeholder arena.

  8. A chemometric approach to characterization of ionic liquids for gas chromatography.

    Science.gov (United States)

    González-Álvarez, Jaime; Mangas-Alonso, Juan José; Arias-Abrodo, Pilar; Gutiérrez-Álvarez, María Dolores

    2014-05-01

    A chemometric study was carried out to characterize three ionic liquid types (ILs) with hexacationic imidazolium, polymeric imidazolium, and phosphonium cationic cores, using a range of contra-anions such as halogens, thiocyanate, boron anions, triflate, and bistriflimide. The solvation parameter model developed by Abraham et al., unsupervised techniques as cluster analysis (CA), and supervised techniques as linear discriminant analysis (LDA), step-LDA, quadratic discriminant analysis (QDA), and multivariate regression techniques as discriminant partial least squares (D-PLS), or multiple linear regression (MLR) were used to characterize the functionalized ILs above. CA established two main groups of phases, those with an acidic H-bond and those with basic ones. Once detected, the two natural groups, a linear and quadratic delimiters with good classification (>96 %) and prediction (>92 %) capacities were computed. The use of step-LDA technique allowed us to establish that a, b, and s solvation parameters were the most discriminant variables. These variables were used for modeling purposes, and a D-PLS and MLR models were constructed using a binary response. The explained variance of categorical variable by the model validated by cross-validation was 65 %, and 94.5 % of ILs were correctly predicted. IL characterization carried out would allow the appropriate selection of phases for gas chromatography (GC).

  9. A simple approach for morphology tailoring of alginate particles by manipulation ionic nature of polyurethanes.

    Science.gov (United States)

    Daemi, Hamed; Barikani, Mehdi; Barmar, Mohammad

    2014-05-01

    A number of different ionic aqueous polyurethane dispersions (PUDs) were synthesized based on NCO-terminated prepolymers. Two different anionic and cationic polyurethane samples were synthesized using dimethylol propionic acid and N-methyldiethanolamine emulsifiers, respectively. Then, proper amounts of PUDs and sodium alginate were mixed to obtain a number of aqueous polyurethane dispersions-sodium alginate (PUD/SA) elastomers. The chemical structure, thermal, morphological, thermo-mechanical and mechanical properties, and hydrophilicity content of the prepared samples were studied by FTIR, EDX, DSC, TGA, SEM, DMTA, tensile testing and contact angle techniques. The cationic polyurethanes and their blends with sodium alginate showed excellent miscibility and highly stretchable properties, while the samples containing anionic polyurethanes and alginate illustrated a poor compatibility and no significant miscibility. The morphology of alginate particles shifted from nanoparticles to microparticles by changing the nature of PUDs from cationic to anionic types. The final cationic elastomers not only showed better mechanical properties but also were formulated easier than anionic samples.

  10. "Involving interface": an extended mind theoretical approach to roboethics.

    Science.gov (United States)

    Anderson, Miranda; Ishiguro, Hiroshi; Fukushi, Tamami

    2010-11-01

    In 2008 the authors held "Involving Interface," a lively interdisciplinary event focusing on issues of biological, sociocultural, and technological interfacing (see Acknowledgments). Inspired by discussions at this event, in this article, we further discuss the value of input from neuroscience for developing robots and machine interfaces, and the value of philosophy, the humanities, and the arts for identifying persistent links between human interfacing and broader ethical concerns. The importance of ongoing interdisciplinary debate and public communication on scientific and technical advances is also highlighted. Throughout, the authors explore the implications of the extended mind hypothesis for notions of moral accountability and robotics.

  11. MELAS Syndrome with Cardiac Involvement: A Multimodality Imaging Approach

    Directory of Open Access Journals (Sweden)

    Sara Seitun

    2016-01-01

    Full Text Available A 49-year-old man presented with chest pain, dyspnea, and lactic acidosis. Left ventricular hypertrophy and myocardial fibrosis were detected. The sequencing of mitochondrial genome (mtDNA revealed the presence of A to G mtDNA point mutation at position 3243 (m.3243A>G in tRNALeu(UUR gene. Diagnosis of cardiac involvement in a patient with Mitochondrial Encephalomyopathy, Lactic Acidosis, and Stroke-like episodes syndrome (MELAS was made. Due to increased risk of sudden cardiac death, cardioverter defibrillator was implanted.

  12. Neptunium (V) Adsorption to a Halophilic Bacterium Under High Ionic Strength Conditions: A Surface Complexation Modeling Approach

    Energy Technology Data Exchange (ETDEWEB)

    Ams, David A [Los Alamos National Laboratory

    2012-06-11

    Rationale for experimental design: Np(V) -- important as analog for Pu(V) and for HLW scenarios; High ionic strength -- relevant to salt-based repositories such as the WIPP; Halophilic microorganisms -- representative of high ionic strength environments. For the first time showed: Significant adsorbant to halophilic microorganisms over entire pH range under high ionic strength conditions; Strong influence of ionic strength with increasing adsorption with increasing ionic strength (in contrast to trends of previous low ionic strength studies); Effect of aqueous Np(V) and bacterial surface site speciation on adsorption; and Developed thermodynamic models that can be incorporated into geochemical speciation models to aid in the prediction of the fate and transport of Np(V) in more complex systems.

  13. Solubilities of gases in ionic liquids using a corresponding-states approach to Kirkwood-Buff solution theory

    DEFF Research Database (Denmark)

    Ellegaard, Martin Dela; Abildskov, Jens; O’Connell, John P.

    2011-01-01

    The solubilities of gases in ionic liquids and compressed liquid densities have been successfully described over a wide range of conditions using a reformulated corresponding-states formulation for direct correlation function integrals. In addition, comparisons with experimental data show reliable...... prediction of ionic liquid characteristic properties from simple rules....

  14. The many types of interhelical ionic interactions in coiled coils - an overview.

    Science.gov (United States)

    Meier, Markus; Stetefeld, Jörg; Burkhard, Peter

    2010-05-01

    Coiled coils represent the most frequent protein oligomerization motif in nature and are involved in many important biological processes. The prototype interhelical ionic interaction for coiled coils described in literature is an i to i+5 ionic interaction from heptad position g to e', but other possible ionic interactions have also been described. Here we use a statistical approach to systematically analyze all high-quality coiled-coil structures in the RCSB protein database for their interhelical ionic interactions. We provide a complete listing of all possible arrangements and analyze the frequency of their occurrence in the primary sequence together with their probability of formation in the quaternary structure of the coiled coils. We show that the classical i to i+5 ionic interaction is indeed characteristic for parallel dimeric and trimeric coiled coils. But we also show that there are many more i to i+2 ionic interactions in parallel tetrameric and pentameric coiled coils, and in antiparallel coiled coils the classical i to i+5 ionic interaction is in none of the oligomerizations states the most frequently observed ionic interaction. We also demonstrate that many ionic interactions involve residues at the core positions that are usually occupied by hydrophobic residues and that such interhelical ionic interactions are a hallmark feature of dimeric coiled coils.

  15. Learning Ionic

    CERN Document Server

    Ravulavaru, Arvind

    2015-01-01

    This book is intended for those who want to learn how to build hybrid mobile applications using Ionic. It is also ideal for people who want to explore theming for Ionic apps. Prior knowledge of AngularJS is essential to complete this book successfully.

  16. A Facile Approach of Diels-Alder Reaction in Imidazolium-based Ionic Liquids at Room Temperature

    Directory of Open Access Journals (Sweden)

    Nur Liyana Sakinah Johari

    2014-09-01

    Full Text Available A Diels-Alder reaction between anthracene and 1-p-tolyl-2,5-dione was conducted in imidazolium-based ionic liquids. Imidazolium cation was utilised with counter anions, [BF4] and [PF6], as the solvents to carry out the desired Diels-Alder reaction. In this work, the diene and dienophile were introduced into the ionic liquids for 72 hours at room temperature. The desired cycloadduct was prepared by a green chemistry procedure in high yield. The expected cycloadduct was characterized on the MS as well as FTIR and NMR spectroscopy. Herein we report, only the [Bmim][BF4] ionic liquid gave the desired cycloadduct in 86 % yield compared to [Bmim][PF6].

  17. A Sustainable Approach to the Stereoselective Synthesis of Diazaheptacyclic Cage Systems Based on a Multicomponent Strategy in an Ionic Liquid

    Directory of Open Access Journals (Sweden)

    Raju Suresh Kumar

    2016-01-01

    Full Text Available The microwave-assisted three-component reactions of 3,5-bis(E-arylmethylidene]tetrahydro-4(1H-pyridinones, acenaphthenequinone and cyclic α-amino acids in an ionic liquid, 1-butyl-3-methylimidazolium bromide, occurred through a domino sequence affording structurally intriguing diazaheptacyclic cage-like compounds in excellent yields.

  18. Conceptual chemistry approach towards the support effect in supported vanadium oxides : Valence bond calculations on the ionicity of vanadium catalysts

    NARCIS (Netherlands)

    Fievez, Tim; De Proft, Frank; Geerlings, Paul; Weckhuysen, Bert M.; Havenith, Remco W. A.

    2011-01-01

    The concept of bond ionicity, obtained via a valence bond analysis, is invoked in the interpretation of the catalytic activity of supported vanadium oxides, in analogy with previous work conducted within the framework of conceptual DFT. For a set of model clusters representing the vanadium oxide sup

  19. Transthoracic approach for lesions involving the anterior dorsal spine: A multidisciplinary approach with good outcomes

    Directory of Open Access Journals (Sweden)

    Srikant Balasubramaniam

    2016-01-01

    Materials and Methods: A total of 16 patients were operated for varying lesions of body of dorsal vertebra by the transthoracic approach. The study was for a period of 5 years from January 2011 to December 2015. Patients age ranged from 25 to 61 years with an average of 36.4 yrs. There were 7 males and 9 females. In our series 9 patients had Kochs spine, 4 patients were traumatic fracture spine and 3 had neoplastic lesion. Majority of patients had multiple symptoms with backache being present in all patients. Results: There was one post operative mortality which was unrelated to surgery. One patient had post operative delayed kyphosis. Remaining patients improved in their symptoms following surgery. Conclusion: With careful coordination by thoracic surgeons, neurospinal surgeons and anaesthetists, the anterior spine approach for dorsal spine is safe and effective. Adequate preoperative evaluation should stratify the risk and institute measures to reduce it. Accurate surgical planning and careful surgical technique are the key to yield a good outcome and to reduce the risk of complications.

  20. Gaseous Hydrocarbon Separations Using Functionalized Ionic Liquids

    OpenAIRE

    2016-01-01

    The functionalization of the side chains on the cation or the anion of an ionic liquid is a common approach to tailor its properties for different processes including the separation of gases. In this paper, we present the current state of the art concerning the usage of ionic liquids for hydrocarbon separations. We also show how the functionalization of ionic liquids or the appropriate anion/cation combinations can contribute to the increase of the performance of the ionic liquids for the sep...

  1. Impedance spectroscopy of brushite composites and a scaling approach to the dispersion behavior of inhomogeneous ionic conductors

    Science.gov (United States)

    Tortet, L.; Gavarri, J. R.; Musso, J.; Nihoul, G.; Clerc, J. P.; Lagarkov, A. N.; Sarychev, A. K.

    1998-09-01

    The conductivity of composites prepared from ceramics is studied. The conductivity has an ionic character and the complex impedance behaves similar to many other inhomogeneous ionic systems. The dependence on the frequency is nonanalytical in form and can be described with some exponents that appear to depend on the concentration. We develop a Monte Carlo algorithm and perform a comprehensive computer simulation of the system. A network analysis reproduces the behavior of the complex impedance so that we can connect experimentally measured quantities to the internal structure of the system. Our theory predicts the values of the exponents and gives their dependence on the structure of a particular system. The most important parameter is the width of the distribution of the local conductivities. When the width increases, the exponents describing the frequency behavior reach universal values that are independent of the particular features of the system. The developed theory can be applied to understand impedance spectroscopy data for various inhomogeneous ionic conductors and some electronic conductors as well.

  2. Reflections on Practical Approaches to Involving Children and Young People in the Data Analysis Process

    Science.gov (United States)

    Coad, Jane; Evans, Ruth

    2008-01-01

    This article reflects on key methodological issues emerging from children and young people's involvement in data analysis processes. We outline a pragmatic framework illustrating different approaches to engaging children, using two case studies of children's experiences of participating in data analysis. The article highlights methods of…

  3. Factors Affecting the Involvement of Teachers in Guidance and Counselling as a Whole-School Approach

    Science.gov (United States)

    Lam, Sarah K. Y.; Hui, Eadaoin K. P.

    2010-01-01

    This study explores factors affecting the involvement of regular secondary school teachers in the whole-school approach to guidance and counselling by interviewing 12 secondary school teachers in Hong Kong. Emerging themes include teachers' ownership of their role in student guidance and counselling, the alignment of their disposition with…

  4. Development of an integrated approach for α-pinene recovery and sugar production from loblolly pine using ionic liquids

    DEFF Research Database (Denmark)

    Papa, Gabriella; Kirby, James; Murthy Konda, N. V. S. N.

    2017-01-01

    perspective for the production of advanced cellulosic biofuels. To date, there have been very few examples where a single conversion process has enabled recovery of both terpenes and fermentable sugars in an integrated fashion. We have used the ionic liquid (IL), 1-ethyl-3-methylimidazolium acetate [C2C1Im......][OAc] at 120 °C and 160 °C in conjunction with analytical protocols using GC-MS, to extract α-pinene and simultaneously pretreat the pine to generate high yields of fermentable sugars after saccharification. Compared to solvent extraction, the IL process enabled higher recovery rates for α-pinene, from three...

  5. Observation of ionic Coulomb blockade in nanopores

    Science.gov (United States)

    Feng, Jiandong; Liu, Ke; Graf, Michael; Dumcenco, Dumitru; Kis, Andras; di Ventra, Massimiliano; Radenovic, Aleksandra

    2016-08-01

    Emergent behaviour from electron-transport properties is routinely observed in systems with dimensions approaching the nanoscale. However, analogous mesoscopic behaviour resulting from ionic transport has so far not been observed, most probably because of bottlenecks in the controlled fabrication of subnanometre nanopores for use in nanofluidics. Here, we report measurements of ionic transport through a single subnanometre pore junction, and the observation of ionic Coulomb blockade: the ionic counterpart of the electronic Coulomb blockade observed for quantum dots. Our findings demonstrate that nanoscopic, atomically thin pores allow for the exploration of phenomena in ionic transport, and suggest that nanopores may also further our understanding of transport through biological ion channels.

  6. The endoscopic endonasal approach for the management of craniopharyngiomas involving the third ventricle.

    Science.gov (United States)

    Cavallo, Luigi Maria; Solari, Domenico; Esposito, Felice; Cappabianca, Paolo

    2013-01-01

    The third ventricle has historically represented one of the most challenging areas to access surgically, so that lesions directly harboring into the ventricular chamber or secondarily extending into it from adjacent areas have been approached by means of different transcranial routes. The aim of this work is to report our experience with the endoscopic endonasal approach in the management of a series of patients affected by craniopharyngiomas, extending into or arising from the third ventricle, evaluating pros and cons of this technique, also in regards of the anatomy and the pathology dealt with. During the period between January 2001 and February 2011, 12 patients, 9 male and 3 female (mean age 50.4 years; range 12-68) underwent an endoscopic endonasal approach for the treatment of a craniopharyngioma involving or arising from the third ventricle. According to the grade of involvement of the third ventricle, we identified three main ventricular growth patterns: (1) stalk-infundibulum; (2) infundibulum-ventricular chamber; (3) stalk-infundibulum-ventricular chamber. Though gross total removal was achieved in eight patients (66.7%), in three patients (25%) was possible a near total removal (>95%) and only in one case (8.3%) tumor removal has been partial (endonasal route provides a good exposure, especially of the sub- and retro-chiasmatic areas, as well as of the stalk-infundibulum axis, which represents, when directly involved by a lesion, a gate to access the third ventricle chamber. Despite this study reporting only a preliminary experience, it seems that in properly selected cases--namely tumors growing mostly along the pituitary stem-infundibulum-third ventricle axis--this approach could be advocated as a valid route among the wide kaleidoscope of surgical approaches to the third ventricle.

  7. Ionic Liquid Epoxy Resin Monomers

    Science.gov (United States)

    Paley, Mark S. (Inventor)

    2013-01-01

    Ionic liquid epoxide monomers capable of reacting with cross-linking agents to form polymers with high tensile and adhesive strengths. Ionic liquid epoxide monomers comprising at least one bis(glycidyl) N-substituted nitrogen heterocyclic cation are made from nitrogen heterocycles corresponding to the bis(glycidyl) N-substituted nitrogen heterocyclic cations by a method involving a non-nucleophilic anion, an alkali metal cation, epichlorohydrin, and a strong base.

  8. MODIFIED TRANSCRANIAL APPROACH FOR RESECTION OF TUMORS INVOLVING THE ANTERIOR CRANIAL FOSSA

    Institute of Scientific and Technical Information of China (English)

    赵素萍; 陶正德; 肖健云

    2001-01-01

    Objective: To introduce the method of a modified transcranial approach for resection of paranasal sinuses tumors involving the anterior skull base and to address our experience with the approach. Patients and Methods: Ten cases were operated by the approach. Among them, 4 suffered from benign meningeomas, 6 with malignant tumors included one chondrosarcoma, two malignant meningeomas, two olfactory neuroblastomas, and one squamous sarcoma. Of the patients, 4 cases had primary tumor and 6 cases had recurrent tumors. Result: All of the ten cases underwent operation and no postopertion complication occurred. 7 cases have survived for one to four years without tumor recurrence. 3 cases with malignant tumor died of tumor relapse in one to two years. Conclusion: This method significantly has helped to reduce the persistence and recurrence of the disease.

  9. Evidence for a model of agonist-induced activation of 5-hydroxytryptamine 2A serotonin receptors that involves the disruption of a strong ionic interaction between helices 3 and 6.

    Science.gov (United States)

    Shapiro, David A; Kristiansen, Kurt; Weiner, David M; Kroeze, Wesley K; Roth, Bryan L

    2002-03-29

    5-Hydroxytryptamine 2A (5-HT2A) receptors are essential for the actions of serotonin (5-hydroxytryptamine (5-HT)) on physiological processes as diverse as vascular smooth muscle contraction, platelet aggregation, perception, and emotion. In this study, we investigated the molecular mechanism(s) by which 5-HT activates 5-HT2A receptors using a combination of approaches including site-directed mutagenesis, molecular modeling, and pharmacological analysis using the sensitive, cell-based functional assay R-SAT. Alanine-scanning mutagenesis of residues close to the intracellular end of H6 of the 5-HT2A receptor implicated glutamate Glu-318(6.30) in receptor activation, as also predicted by a newly constructed molecular model of the 5-HT2A receptor, which was based on the x-ray structure of bovine rhodopsin. Close examination of the molecular model suggested that Glu-318(6.30) could form a strong ionic interaction with Arg-173(3.50) of the highly conserved "(D/E)RY motif" located at the interface between the third transmembrane segment and the second intracellular loop (i2). A direct prediction of this hypothesis, that disrupting this ionic interaction by an E318(6.30)R mutation would lead to a highly constitutively active receptor with enhanced affinity for agonist, was confirmed using R-SAT. Taken together, these results predict that the disruption of a strong ionic interaction between transmembrane helices 3 and 6 of 5-HT2A receptors is essential for agonist-induced receptor activation and, as recently predicted by ourselves (B. L. Roth and D. A. Shapiro (2001) Expert Opin. Ther. Targets 5, 685-695) and others, that this may represent a general mechanism of activation for many, but not all, G-protein-coupled receptors.

  10. Neuropsychiatric Systemic Lupus Erythematosus Involvement: Towards a Tailored Approach to Our Patients?

    Directory of Open Access Journals (Sweden)

    Raquel Faria

    2017-01-01

    Full Text Available Neuropsychiatric involvement in systemic lupus erythematosus (NPSLE is a complex condition that remains poorly understood, and includes heterogeneous manifestations involving both the central and peripheral nervous system, with disabling effects. There are several models to improve NPSLE diagnosis when a neurological syndrome is present. In the last couple of years, the growing knowledge of the role of cytokines and antibodies in NPSLE, as well as the development of new functional imaging techniques, has brought some insights into the physiopathology of the disease, but their validation for clinical use remains undetermined. Furthermore, besides the classic clinical approach, a new tool for screening the 19 NPSLE syndromes has also been developed. Regarding NPSLE therapeutics, there is still no evidence-based treatment approach, but some data support the safety of biological medication when classic treatment fails. Despite the tendency to reclassify SLE patients in clinical and immunological subsets, we hope that these data will inspire medical professionals to approach NPSLE in a manner more tailored to the individual patient.

  11. Physical chemistry of reaction dynamics in ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Maroncelli, Mark [Pennsylvania State Univ., University Park, PA (United States)

    2016-10-02

    Work completed over the past year mainly involves finishing studies related to solvation dynamics in ionic liquids, amplifying and extending our initial PFG-NMR work on solute diffusion, and learning how to probe rotational dynamics in ionic liquids.

  12. Physical Chemistry of Reaction Dynamics in Ionic Liquid

    Energy Technology Data Exchange (ETDEWEB)

    Maroncelli, Mark [Pennsylvania State Univ., University Park, PA (United States)

    2016-10-02

    Work completed over the past year mainly involves finishing studies related to solvation dynamics in ionic liquids, amplifying and extending our initial PFG-NMR work on solute diffusion, and learning how to probe rotational dynamics in ionic liquids.

  13. General patterns of managerial approaches to work motivation: Implications for rehabilitation professionals involved in occupational rehabilitation.

    Science.gov (United States)

    Murphy, G C; Foreman, P

    1993-03-01

    Calls for rehabilitation counselors to learn more about the world of work have been recently repeated. The validity of these calls is suggested by a group of studies which indicate that the rehabilitation counseling literature has an established emphasis on matters of counseling and adjustment rather than on matters related to behavior in organizations. A survey of rehabilitation counsellors' beliefs about key topics in organizational behavior indicates that their beliefs are often discrepant with those of practicing managers and supervisors. A summary of dominant models of work motivation adopted by managerial workers is presented and some implications for occupational rehabilitation practice identified. Finally, some contemporary literature relevant to managerial approaches to employee motivation are identified and it is suggested that familiarity with this literature could assist rehabilitation practitioners move from a more narrow occupational rehabilitation role to a broader involvement in organizational life via the expansion of the disability management approach in work organizations.

  14. Molecular investigation of the interaction between ionic liquid type gemini surfactant and lysozyme: A spectroscopic and computational approach.

    Science.gov (United States)

    Maurya, Jitendra Kumar; Mir, Muzaffar Ul Hassan; Singh, Upendra Kumar; Maurya, Neha; Dohare, Neeraj; Patel, Seema; Ali, Anwar; Patel, Rajan

    2015-07-01

    Herein, we are reporting the interaction of ionic liquid type gemini surfactant, 1,4-bis(3-dodecylimidazolium-1-yl) butane bromide ([C12-4-C12 im]Br2) with lysozyme by using Steady state fluorescence, UV-visible, Time resolved fluorescence, Fourier transform-infrared (FT-IR) spectroscopy techniques in combination with molecular modeling and docking method. The steady state fluorescence spectra suggested that the fluorescence of lysozyme was quenched by [C12-4-C12 im]Br2 through static quenching mechanism as confirmed by time resolved fluorescence spectroscopy. The binding constant for lysozyme-[C12-4-C12 im]Br2 interaction have been measured by UV-visible spectroscopy and found to be 2.541 × 10(5) M(-1). The FT-IR results show conformational changes in the secondary structure of lysozyme by the addition of [C12-4-C12 im]Br2. Moreover, the molecular docking study suggested that hydrogen bonding and hydrophobic interactions play a key role in the protein-surfactant binding. Additionally, the molecular dynamic simulation results revealed that the lysozyme-[C12-4-C12 im]Br2 complex reaches an equilibrium state at around 3 ns.

  15. A facile approach for the synthesis of 3,4-dihydropyrimidin-2-(1)-ones using a microwave promoted Biginelli protocol in ionic liquid

    Indian Academy of Sciences (India)

    Abhishek N Dadhania; Vaibhav K Patel; Dipak K Raval

    2012-07-01

    Carboxy functionalized ionic liquid [cmmim][BF4] has been demonstrated to be an efficient and green catalyst for the one pot synthesis of 3,4-dihydropyrimidin-2-(1)-ones heterocycles under microwave irradiation. The ionic liquid-microwave strategy represents an easy access to Biginelli compounds with high yields and purity. The protocol was found to be compatible with different structurally diverse aldehydes. The ionic liquid was recycled and reused in at least six subsequent reactions with consistent activity.

  16. Involving people with learning disabilities in nurse education: towards an inclusive approach.

    Science.gov (United States)

    Bollard, Martin; Lahiff, John; Parkes, Neville

    2012-02-01

    There is limited evidence that explores how to effectively include people with learning disabilities in nurse education in the U.K. The majority of reported work relates to mental health nursing and social work training (Morgan and Jones, 2009). This paper specifically reports on the processes and activities undertaken by the authors with people with learning disabilities in the development of a new BSc learning disability nursing programme, a specific branch of nursing in the U.K. In doing so, findings and discussion from two separate projects involving students and people with learning disabilities will be integrated into the paper. EPICURE (Engagement, Processing, Interpretation, Critique, Usefulness, Relevance and Ethics (Stige et al. 2009) is adopted as a qualitative framework throughout the paper to evaluate the reported work that took place between September 2006 and October 2010. Suggestions are therefore made regarding the benefits and challenges of striving towards an inclusive approach to user involvement in nurse education, with particular reference to learning disability. The work presented in the paper demonstrates how through careful involvement of this population, deeper learning opportunities for all nursing students can be created.

  17. An integrated approach to consumer representation and involvement in a multicentre randomized controlled trial.

    Science.gov (United States)

    Langston, Anne L; McCallum, Marilyn; Campbell, Marion K; Robertson, Clare; Ralston, Stuart H

    2005-01-01

    Although, consumer involvement in individual studies is often limited, their involvement in guiding health research is generally considered to be beneficial. This paper outlines our experiences of an integrated relationship between the organisers of a clinical trial and a consumer organisation. The PRISM trial is a UK multicentre, randomized controlled trial comparing treatment strategies for Paget's disease of the bone. The National Association for the Relief of Paget's Disease (NARPD) is the only UK support group for sufferers of Paget's disease and has worked closely with the PRISM team from the outset. NARPD involvement is integral to the conduct of the trial and specific roles have included: peer-review; trial steering committee membership; provision of advice to participants, and promotion of the trial amongst Paget's disease patients. The integrated relationship has yielded benefits to both the trial and the consumer organisation. The benefits for the trial have included: recruitment of participants via NARPD contacts; well-informed participants; unsolicited patient advocacy of the trial; and interested and pro-active collaborators. For the NARPD and Paget's disease sufferers, benefits have included: increased awareness of Paget's disease; increased access to relevant health research; increased awareness of the NARPD services; and wider transfer of diagnosis and management knowledge to/from health care professionals. Our experience has shown that an integrated approach between a trial team and a consumer organisation is worthwhile. Adoption of such an approach in other trials may yield significant improvements in recruitment and quality of participant information flow. There are, however, resource implications for both parties.

  18. Reflections of a team approach to involving people with dementia in research.

    Science.gov (United States)

    King, Amanda; Hopkinson, Jane; Milton, Rebecca

    2016-01-01

    The article reflects on the ways in which a person-centred approach was used to ensure that people with dementia were given an opportunity to participate in research. The authors discuss three key issues-the importance of including people with dementia in research, informed consent and the possibility of accidental disclosure of diagnosis. The study was an in-depth examination of the ways in which the cancer team manages patients with memory problems and patients with dementia, and the experiences of these patients and their families in accessing outpatient cancer treatment and care in Wales. The study findings will be reported elsewhere. This article aims to add to the small body of existing knowledge within the literature that describes the experiences of researchers in actively involving people with dementia in research.

  19. Basic-functionalized recyclable ionic liquid catalyst: A solvent-free approach for Michael addition of 1,3-dicarbonyl compounds to nitroalkenes under ultrasound irradiation.

    Science.gov (United States)

    Narayanaperumal, Senthil; da Silva, Rodrigo César; Feu, Karla Santos; de la Torre, Alexander Fernández; Corrêa, Arlene G; Paixão, Márcio Weber

    2013-05-01

    A task-specific ionic liquid (TSIL) has been introduced as a recyclable catalyst in Michael addition. A series of nitroalkenes and various C-based nucleophiles were reacted in the presence of 30mol% of recyclable basic-functionalized ionic liquid. Good to excellent yields were obtained in 30min under ultrasound irradiation.

  20. Involving consumers in assessing service quality: benefits of using a qualitative approach.

    Science.gov (United States)

    Powell, J; Lovelock, R; Bray, J; Philp, I

    1994-01-01

    Although important to users, practice standards rarely incorporate users' views of care provided. These views are a valuable source of information, even though there are limits to their value. To improve the standards of care in a 20 bed hospital elderly care unit caring for acute medical conditions a qualitative approach was used. Patients' and carers' perceptions of care and problems with the process of care in the unit were elicited with a specially designed semistructured interview schedule in 83 separate tape recorded interviews with a research nurse in patients' homes. In all, 50 patients and 35 carers were interviewed between 6 June 1991 and 28 May 1992. Of the 50 patients, 33 were female; seven patients were aged less than 80 years, 16, 80-85; 21, 86-90; and six over 90. A total of 16 patients lived with spouses or other carers, two with non-carers, and 32 lived alone, 18 of whom received informal care. Content analysis of the interviews disclosed patients' and carers' general satisfaction with individualised professional care and planning of follow up services on discharge but dissatisfaction in the lack of information about and involvement in treatment and care and about specific staff notes. These findings have prompted remedial changes in clinical practice in the unit; they have also formed the structure of a criterion based survey of practice. The authors conclude that the qualitative approach suited elderly users and also provided the basis for the findings to be incorporated into a continuous audit cycle through a process of feedback and standard setting. PMID:10140234

  1. Promoting Latino Parent Involvement in K-8 Schools through a Communities of Practice Approach

    Science.gov (United States)

    Barrantes Santamaria, Alfredo G.

    2012-01-01

    Due to federal mandates, Title I schools now are being asked to implement parent involvement programs that meaningfully involve parents in the schools to increase academic gains. This action research study was based on three different concepts from the literature: a) critical pedagogy theory from Paulo Freire, b) parent involvement from diverse…

  2. Gaseous Hydrocarbon Separations Using Functionalized Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Moura Leila

    2016-03-01

    Full Text Available The functionalization of the side chains on the cation or the anion of an ionic liquid is a common approach to tailor its properties for different processes including the separation of gases. In this paper, we present the current state of the art concerning the usage of ionic liquids for hydrocarbon separations. We also show how the functionalization of ionic liquids or the appropriate anion/cation combinations can contribute to the increase of the performance of the ionic liquids for the separation of gaseous hydrocarbons – either by improving the capacity of the ionic liquid to absorb a given gas or by increasing the selectivity towards a particular hydrocarbon. Original results concerning the usage of olefin-complexing metal salts of lithium (I, nickel (II and copper (II dissolved in ionic liquids for selectively absorbing light olefins are presented. It is observed that the absorption capacity of an imidazolium-based ionic liquid is doubled by the addition of a copper (II salt. This result is compared with the effect of the functionalization of the ionic liquid and the advantages and difficulties of the two approaches are analyzed.

  3. Acidic Ionic Liquids.

    Science.gov (United States)

    Amarasekara, Ananda S

    2016-05-25

    Ionic liquid with acidic properties is an important branch in the wide ionic liquid field and the aim of this article is to cover all aspects of these acidic ionic liquids, especially focusing on the developments in the last four years. The structural diversity and synthesis of acidic ionic liquids are discussed in the introduction sections of this review. In addition, an unambiguous classification system for various types of acidic ionic liquids is presented in the introduction. The physical properties including acidity, thermo-physical properties, ionic conductivity, spectroscopy, and computational studies on acidic ionic liquids are covered in the next sections. The final section provides a comprehensive review on applications of acidic ionic liquids in a wide array of fields including catalysis, CO2 fixation, ionogel, electrolyte, fuel-cell, membrane, biomass processing, biodiesel synthesis, desulfurization of gasoline/diesel, metal processing, and metal electrodeposition.

  4. A Cognitive Therapy Approach to Increasing Father Involvement by Changing Restrictive Masculine Schemas

    Science.gov (United States)

    Mahalik, James R.; Morrison, Jay A.

    2006-01-01

    Cognitive therapists may be able to help fathers increase their involvement with their children by identifying and changing restrictive masculine schemas that interfere with men's parenting roles. In this paper, we (a) discuss the development of restrictive masculine schemas, (b) explain how these schemas may affect men's involvement in fathering…

  5. Application of Ionic Liquids in Hydrometallurgy

    Directory of Open Access Journals (Sweden)

    Jesik Park

    2014-08-01

    Full Text Available Ionic liquids, low temperature molten salts, have various advantages manifesting themselves as durable and environmentally friendly solvents. Their application is expanding into various fields including hydrometallurgy due to their unique properties such as non-volatility, inflammability, low toxicity, good ionic conductivity, and wide electrochemical potential window. This paper reviews previous literatures and our recent results adopting ionic liquids in extraction, synthesis and processing of metals with an emphasis on the electrolysis of active/light, rare earth, and platinum group metals. Because the research and development of ionic liquids in this area are still emerging, various, more fundamental approaches are expected to popularize ionic liquids in the metal manufacturing industry.

  6. Biocatalysis in ionic liquids - advantages beyond green technology.

    Science.gov (United States)

    Park, Seongsoon; Kazlauskas, Romas J

    2003-08-01

    In recent years researchers have started to explore a particular class of organic solvents called room temperature ionic liquids - or simply ionic liquids - to identify their unique advantages for biocatalysis. Because they lack vapour pressure, ionic liquids hold potential as green solvents. Furthermore, unlike organic solvents of comparable polarity, they often do not inactivate enzymes, which simplifies reactions involving polar substrates such as sugars. Biocatalytic reactions in ionic liquids have also shown higher selectivity, faster rates and greater enzyme stability; however, these solvents present other challenges, among them difficulties in purifying ionic liquids and controlling water activity and pH, higher viscosity and problems with product isolation.

  7. A novel l-amino acid ionic liquid for quick and highly efficient synthesis of oxime derivatives – An environmental benign approach

    Directory of Open Access Journals (Sweden)

    Parasuraman Karthikeyan

    2016-11-01

    Full Text Available A mild, efficient, and eco-friendly procedure for the conversion of aliphatic, alicyclic and aromatic carbonyl compounds into the corresponding oximes, was catalyzed by a novel imidazolium based ionic liquid coupled with amino acid (asparagine (l-AAIL, l-Amino acid functionalized ionic liquid catalytic system. The quantitative conversion of aryl and alkyl carbonyl compounds into the corresponding oximes was achieved by simply grinding at ambient temperature using 0.05 mmol of catalyst in 50 s. In addition, this L-AAIL catalyst exhibited good reusability for five consecutive trials without significant loss of its catalytic activity.

  8. Strategies to promote parental involvement in neuropediatric physiotherapy: an interdisciplinary approach

    Directory of Open Access Journals (Sweden)

    Lisandrea Rodrigues Menegasso Gennaro

    2014-04-01

    Full Text Available There is ample scientific evidence indicating that the participation of family members in interventions conducted with children is of critical importance. However, little information about the effectiveness of different strategies to increase parental involvement is available in the Brazilian research literature in Physiotherapy, even though family involvement is also of crucial importance in the treatment of children with neurological problems.  In this paper, we identify ways of involving parents that are reported in the areas of Early Childhood Education, Special Education, Music Education and Psychology (social skills training. Possibilities for adapting these strategies for use in Physiotherapy settings are discussed, so that professionals and managers of institutions that offer rehabilitation services could broaden their use of mechanisms to promote family participation, maximizing the results of rehabilitation treatment for children. In future studies, it will be important to evaluate the viability and effectiveness of adopting these strategies in Physiotherapy settings.

  9. Two highly stable and selective solid phase microextraction fibers coated with crown ether functionalized ionic liquids by different sol-gel reaction approaches.

    Science.gov (United States)

    Shu, Jianjun; Xie, Pengfei; Lin, Danni; Chen, Rongfeng; Wang, Jiang; Zhang, Beibei; Liu, Mingming; Liu, Hanlan; Liu, Fan

    2014-01-02

    In this work, two novel crown ether functionalized ionic liquid (FIL)-based solid phase microextraction (SPME) fibers were prepared by sol-gel technology using the synthesized 1-(trimethoxysily)propyl 3-(6'-oxo-benzo-15-crown-5 hexyl) imidazolium bis(trifluoromethanesulphonyl)imide ([TMSP(Benzo15C5)HIM][N(SO2CF3)2]) and 1-allyl-3-(6'-oxo-benzo-15-crown-5 hexyl) imidazolium bis(trifluoromethanesulphonyl)imide ([A(Benzo15C5)HIM][N(SO2CF3)2]) as selective stationary phases. Owing to the introduction of trimethoxysilypropyl to the imidazole cation, the [TMSP(Benzo15C5)HIM][N(SO2CF3)2] could be chemically bonded to the formed sol-gel silica substrate through the hydrolysis and polycondensation reaction. Similarly, the [A(Benzo15C5)HIM][N(SO2CF3)2] was able to participate in the formation of the organic-inorganic copolymer coatings through the free radical crosslinking reaction. These two fibers were determined to have "bubble-like" surface characteristics analogous to a previously prepared [A(Benzo15C5)HIM][PF6]-based fiber. Their thermal stabilities were much higher than that of the [A(Benzo15C5)HIM][PF6]-based coating. They were capable of withstanding temperatures as high as 400°C without evident loss of the crown ether FILs. They also had strong solvent, acid and alkali resistance, good coating preparation reproducibility and high selectivity for medium polar to polar compounds. The high selectivity of these two fibers could be attributed to the strong ion-dipole, hydrogen bonding and π-π interactions provided by the synergetic effect of ILs and benzo-15-crown-5 functionalities. Moreover, the selectivity of these two fibers was rather different although the structures of these two crown ether FILs were very similar. This is maybe because the relative contents of the crown ether FILs chemically bonded to the organic-inorganic copolymer coatings were quite different when prepared by different sol-gel reaction approaches.

  10. From Zinnia to Arabidopsis: approaching the involvement of peroxidases in lignification.

    Science.gov (United States)

    Novo-Uzal, Esther; Fernández-Pérez, Francisco; Herrero, Joaquín; Gutiérrez, Jorge; Gómez-Ros, Laura V; Bernal, María Ángeles; Díaz, José; Cuello, Juan; Pomar, Federico; Pedreño, María Ángeles

    2013-09-01

    Zinnia elegans constitutes one of the most useful model systems for studying xylem differentiation, which simultaneously involves secondary cell wall synthesis, cell wall lignification, and programmed cell death. Likewise, the in vitro culture system of Z. elegans has been the best characterized as the differentiation of mesophyll cells into tracheary elements allows study of the biochemistry and physiology of xylogenesis free from the complexity that heterogeneous plant tissues impose. Moreover, Z. elegans has emerged as an excellent plant model to study the involvement of peroxidases in cell wall lignification. This is due to the simplicity and duality of the lignification pattern shown by the stems and hypocotyls, and to the basic nature of the peroxidase isoenzyme. This protein is expressed not only in hypocotyls and stems but also in mesophyll cells transdifferentiating into tracheary elements. Therefore, not only does this peroxidase fulfil all the catalytic requirements to be involved in lignification overcoming all restrictions imposed by the polymerization step, but also its expression is inherent in lignification. In fact, its basic nature is not exceptional since basic peroxidases are differentially expressed during lignification in other model systems, showing unusual and unique biochemical properties such as oxidation of syringyl moieties. This review focuses on the experiments which led to a better understanding of the lignification process in Zinnia, starting with the basic knowledge about the lignin pattern in this plant, how lignification takes place, and how a sole basic peroxidase with unusual catalytic properties is involved and regulated by hormones, H2O2, and nitric oxide.

  11. Dilemmas of involvement in land management – Comparing an active (Dutch) and a passive (German) approach

    NARCIS (Netherlands)

    Thomas, Hartmann; Spit, Tejo

    2015-01-01

    What is the role of spatial planners in urban development? Planners can be very involved in the realization of the land-use plans or they can take a more passive role in development processes. Which role they take depends on the particular institutional arrangements for land management in each count

  12. Effect of ionic liquid amount (C{sub 8}H{sub 15}BrN{sub 2}) on the morphology of Bi{sub 2}Te{sub 3} nanoplates synthesized via a microwave-assisted heating approach

    Energy Technology Data Exchange (ETDEWEB)

    Ji Guangbin [Jiangsu Provincial Key Laboratory of Photonic and Electronic Materials Sciences and Technology, College of Electronic Science and Engineering, Nanjing University, Nanjing 210093 (China); Shi Yi, E-mail: yshi@nju.edu.cn [Jiangsu Provincial Key Laboratory of Photonic and Electronic Materials Sciences and Technology, College of Electronic Science and Engineering, Nanjing University, Nanjing 210093 (China); Pan Lijia; Zheng Youdou [Jiangsu Provincial Key Laboratory of Photonic and Electronic Materials Sciences and Technology, College of Electronic Science and Engineering, Nanjing University, Nanjing 210093 (China)

    2011-05-19

    Highlights: > Rapidly synthesis Bi{sub 2}Te{sub 3} nanoplates via a microwave-assisted ionic liquid method. > Ionic liquid plays a key role on the morphologies of the samples. > Single-crystal in nature with the growth direction of <112-bar 0>. > Power factor gets a maximum at about 450 K. - Abstract: Bi{sub 2}Te{sub 3} crystals with plate-like morphology have been successfully synthesized via a microwave-assisted heating approach in room temperature ionic liquid (RTIL) of 1-butyl-3-methylimidazolium bromide (C{sub 8}H{sub 15}BrN{sub 2}). Scanning electronic microscopy (SEM) observation of as-synthesized Bi{sub 2}Te{sub 3} confirmed their morphology of the hexagonal plates. It was observed that the edge and thickness values of as-synthesized Bi{sub 2}Te{sub 3} were in the size of 0.5-2 {mu}m and less than 100 nm, respectively. High-resolution transmission electronic microscopy (HR-TEM) and selected area electron diffraction (SAED) results revealed that the Bi{sub 2}Te{sub 3} plates are of single-crystal in nature with the growth direction of <112-bar 0>. In addition, as increasing the amount of ionic liquid, SEM results showed a novel evolution process of Bi{sub 2}Te{sub 3} morphologies from mixture of Bi{sub 2}Te{sub 3} nanorods and nanoplates to regular hexagonal plates, and then nanoplates with many small flecks. Furthermore, a possible mechanism regarding the formation of Bi{sub 2}Te{sub 3} plates was proposed as well on the basis of the experimental results. The power factor of Bi{sub 2}Te{sub 3} nanoplates is examined to evaluate its thermoelectric property.

  13. Fluctuating hydrodynamics for ionic liquids

    Science.gov (United States)

    Lazaridis, Konstantinos; Wickham, Logan; Voulgarakis, Nikolaos

    2017-04-01

    We present a mean-field fluctuating hydrodynamics (FHD) method for studying the structural and transport properties of ionic liquids in bulk and near electrified surfaces. The free energy of the system consists of two competing terms: (1) a Landau-Lifshitz functional that models the spontaneous separation of the ionic groups, and (2) the standard mean-field electrostatic interaction between the ions in the liquid. The numerical approach used to solve the resulting FHD-Poisson equations is very efficient and models thermal fluctuations with remarkable accuracy. Such density fluctuations are sufficiently strong to excite the experimentally observed spontaneous formation of liquid nano-domains. Statistical analysis of our simulations provides quantitative information about the properties of ionic liquids, such as the mixing quality, stability, and the size of the nano-domains. Our model, thus, can be adequately parameterized by directly comparing our prediction with experimental measurements and all-atom simulations. Conclusively, this work can serve as a practical mathematical tool for testing various theories and designing more efficient mixtures of ionic liquids.

  14. A Blended Learning Approach to Teaching Project Management: A Model for Active Participation and Involvement: Insights from Norway

    Directory of Open Access Journals (Sweden)

    Bassam A. Hussein

    2015-04-01

    Full Text Available The paper demonstrates and evaluates the effectiveness of a blended learning approach to create a meaningful learning environment. We use the term blended learning approach in this paper to refer to the use of multiple or hybrid instructional methods that emphasize the role of learners as contributors to the learning process rather than recipients of learning. Contribution to learning is attained by using in class gaming as pathways that ensure active involvement of learners. Using a blended learning approach is important in order to be able to address different learning styles of the target group. The approach was also important in order to be able to demonstrate different types of challenges, issues and competences needed in project management. Student evaluations of the course confirmed that the use of multiple learning methods and, in particular, in class gaming was beneficial and contributed to a meaningful learning experience.

  15. Longitudinal Changes in Behavioral Approach System Sensitivity and Brain Structures Involved in Reward Processing during Adolescence

    Science.gov (United States)

    Urosevic, Snezana; Collins, Paul; Muetzel, Ryan; Lim, Kelvin; Luciana, Monica

    2012-01-01

    Adolescence is a period of radical normative changes and increased risk for substance use, mood disorders, and physical injury. Researchers have proposed that increases in reward sensitivity (i.e., sensitivity of the behavioral approach system [BAS]) and/or increases in reactivity to all emotional stimuli (i.e., reward and threat sensitivities)…

  16. An Ecological Approach to Prospective and Retrospective Timing of Long Durations: A Study Involving Gamers

    OpenAIRE

    Simon Tobin; Nicolas Bisson; Simon Grondin

    2010-01-01

    To date, most studies comparing prospective and retrospective timing have failed to use long durations and tasks with a certain degree of ecological validity. The present study assessed the effect of the timing paradigm on playing video games in a "naturalistic environment" (gaming centers). In addition, as it involved gamers, it provided an opportunity to examine the effect of gaming profile on time estimation. A total of 116 participants were asked to estimate prospectively or retrospective...

  17. Probabilistic Fuzzy Goal Programming Problems Involving Pareto Distribution: Some Additive Approaches

    Directory of Open Access Journals (Sweden)

    S.K. Barik

    2015-06-01

    Full Text Available In many real-life decision making problems, probabilistic fuzzy goal programming problems are used where some of the input parameters of the problem are considered as random variables with fuzzy aspiration levels. In the present paper, a linearly constrained probabilistic fuzzy goal programming programming problem is presented where the right hand side parameters in some constraints follows Pareto distribution with known mean and variance. Also the aspiration levels are considered as fuzzy. Further, simple, weighted, and preemptive additive approaches are discussed for probabilistic fuzzy goal programming model. These additive approaches are employed to aggregating the membership values and form crisp equivalent deterministic models. The resulting models are then solved by using standard linear mathematical programming techniques. The developed methodology and solution procedures are illustrated with a numerical example.

  18. New chemical approach to obtain dense layer phosphate-based ionic conductor coating on negative electrode material surface: Synthesis way, outgassing and improvement of C-rate capability

    Science.gov (United States)

    Fleutot, Benoit; Davoisne, Carine; Gachot, Grégory; Cavalaglio, Sébastien; Grugeon, Sylvie; Viallet, Virginie

    2017-04-01

    Li4Ti5O12 (LTO) based batteries have severe gassing behavior during charge/discharge and storage process, due to interfacial reactions between active material and electrolyte solution. In the same time, the electronic and ionic conductivity of pristine LTO is very poor and induces the use of nanoparticles which increase the outgassing phenomena. The coating of LTO particles could be a solution. For this the LTO spinel particles are modified with ionic conductor Li3PO4 coating using a spray-drying method. For the first time a homogeneous thin dense layer phosphate based conductor is obtained without nanoparticles, as a thin film material. It is so possible to study the influence of ionic conductor deposited on the negative electrode material on performances by the controlled layer thickness. This coating was characterized by XRD, SEM, XPS and TEM. The electrochemical performance of Li3PO4 coated Li4Ti5O12 is improved at high C-rate by the surface modification (improvement of 30 mAh g-1 at 5 C-rate compared to pristine LTO for 5 nm of coating), inducing by a modification of surface energy. An optimum coating thickness was studied. This type of coating allows a significant decrease of outgassing phenomena due the conformal coating and opens the way to a great number of studies and new technologies.

  19. Community Involvement in Geoconservation: A Conceptual Approach Based on the Geoheritage of South Angola

    Directory of Open Access Journals (Sweden)

    Alexandre Oliveira Tavares

    2015-04-01

    Full Text Available In this work, it is argued that effective protection of geological objects displaying heritage value requires the local community’s involvement in all geoconservation actions, i.e., inventory, evaluation, conservation, valuation and monitoring procedures, and not only at the final part of the process, when it is expected from local communities that the physical integrity of such objects is guaranteed. Community involvement in geoheritage inventory and evaluation procedures can be appraised by using a classification system that integrates both the geoheritage properties displayed by the geological objects and usually recognized by geoscientists (i.e., relevance grade and the social role attributed to geological objects by communities outside Earth scientists that arise from the public perception of such objects (i.e., abstract perceptiveness. Using two case studies from southern Angola (Huíla Province where both social and scientific components were taken into account in geoheritage evaluation procedures (Tundavala and Leba geosites, we propose a conceptual community-based model, which can be applicable to geoconservation purposes and actions in other African regions and converging with the main goals of the “African Alive Corridors” initiative.

  20. An optimized field coverage planning approach for navigation of agricultural robots in fields involving obstacle areas

    DEFF Research Database (Denmark)

    Hameed, Ibahim; Bochtis, D.; Sørensen, C.A.

    2013-01-01

    automation technologies. Since the primary goal of an agricultural vehicle is the complete coverage of the cropped area within the field, an essential prerequisite is the capability of the mobile unit to cover the whole field area autonomously. In this paper, the main objective is to develop an approach......-field obstacle areas, the headland paths generation for the field and each obstacle area, the implementation of a genetic algorithm to optimize the sequence that the field robot vehicle will follow to visit the blocks, and an algorithmically generation of the task sequences derived from the farmer practices...

  1. Ionic solvents used in ionic polymer transducers, sensors and actuators

    OpenAIRE

    2004-01-01

    Ionic liquids are incorporated into transducers, actuators or sensors which employ the ionic polymer membranes. The ionic liquids have superior electrochemical stability, low viscosity and low vapor pressure. The transducers, actuators and sensors which utilize ionic polymer membranes solvated with ionic liquids have long term air stability. Superior results are achieved when a conductive powder and ionomer mixture is applied to the ionic polymer membrane to form the electrodes during or afte...

  2. Fatal and serious road crashes involving young New Zealand drivers: a latent class clustering approach

    DEFF Research Database (Denmark)

    Weiss, Harold B.; Kaplan, Sigal; Prato, Carlo Giacomo

    2016-01-01

    classification that revealed how the identified clusters contain mostly crashes of a particular class and all the crashes of that class. The results raised three major safety concerns for young drivers that should be addressed: (1) reckless driving and traffic law violations; (2) inattention, error, and hazard......The over-representation of young drivers in road crashes remains an important concern worldwide. Cluster analysis has been applied to young driver sub-groups, but its application by analysing crash occurrence is just emerging. We present a classification analysis that advances the field through...... a holistic overview of crash patterns useful for designing youth-targeted road safety programmes. We compiled a database of 8644 New Zealand crashes from 2002 to 2011 involving at least one 15–24-year-old driver and a fatal or serious injury for at least one road user. We considered crash location...

  3. Genomic approaches towards identification of components involved in peptide based cell growth of Arabidopsis thailana

    DEFF Research Database (Denmark)

    Mahmood, Khalid

    Secreted peptides are considered now as important signaling molecules involved in plant growth and development. Plant peptide containing sulfated tyrosine 1 (PSY1) is a small peptide that promotes cell elongation and expansion at nanomolar concentration. This is achieved through binding...... elongation. FAB1C is highly down regulated in psy1r mutant plants and is assumed to play role in acidification and formation of vacuole that may contribute in cell elongation. In short, our work provides insights how growth coordinated through cellular communication using PSY1 as a signal molecule....... to extracellular domain of the leucine-rich repeat (LRR) receptor kinase called PSY1R. Upon binding of the peptide, PSY1R transduces the signal by phosphorylating the plasma membrane H+-ATPase (AHA2) leading to proton extrusion results in cell elongation. To understand the molecular basis of PSY1 response...

  4. An evolutionary genomic approach to identify genes involved in human birth timing.

    Directory of Open Access Journals (Sweden)

    Jevon Plunkett

    2011-04-01

    Full Text Available Coordination of fetal maturation with birth timing is essential for mammalian reproduction. In humans, preterm birth is a disorder of profound global health significance. The signals initiating parturition in humans have remained elusive, due to divergence in physiological mechanisms between humans and model organisms typically studied. Because of relatively large human head size and narrow birth canal cross-sectional area compared to other primates, we hypothesized that genes involved in parturition would display accelerated evolution along the human and/or higher primate phylogenetic lineages to decrease the length of gestation and promote delivery of a smaller fetus that transits the birth canal more readily. Further, we tested whether current variation in such accelerated genes contributes to preterm birth risk. Evidence from allometric scaling of gestational age suggests human gestation has been shortened relative to other primates. Consistent with our hypothesis, many genes involved in reproduction show human acceleration in their coding or adjacent noncoding regions. We screened >8,400 SNPs in 150 human accelerated genes in 165 Finnish preterm and 163 control mothers for association with preterm birth. In this cohort, the most significant association was in FSHR, and 8 of the 10 most significant SNPs were in this gene. Further evidence for association of a linkage disequilibrium block of SNPs in FSHR, rs11686474, rs11680730, rs12473870, and rs1247381 was found in African Americans. By considering human acceleration, we identified a novel gene that may be associated with preterm birth, FSHR. We anticipate other human accelerated genes will similarly be associated with preterm birth risk and elucidate essential pathways for human parturition.

  5. Active chemisorption sites in functionalized ionic liquids for carbon capture.

    Science.gov (United States)

    Cui, Guokai; Wang, Jianji; Zhang, Suojiang

    2016-07-25

    Development of novel technologies for the efficient and reversible capture of CO2 is highly desired. In the last decade, CO2 capture using ionic liquids has attracted intensive attention from both academia and industry, and has been recognized as a very promising technology. Recently, a new approach has been developed for highly efficient capture of CO2 by site-containing ionic liquids through chemical interaction. This perspective review focuses on the recent advances in the chemical absorption of CO2 using site-containing ionic liquids, such as amino-based ionic liquids, azolate ionic liquids, phenolate ionic liquids, dual-functionalized ionic liquids, pyridine-containing ionic liquids and so on. Other site-containing liquid absorbents such as amine-based solutions, switchable solvents, and functionalized ionic liquid-amine blends are also investigated. Strategies have been discussed for how to activate the existent reactive sites and develop novel reactive sites by physical and chemical methods to enhance CO2 absorption capacity and reduce absorption enthalpy. The carbon capture mechanisms of these site-containing liquid absorbents are also presented. Particular attention has been paid to the latest progress in CO2 capture in multiple-site interactions by amino-free anion-functionalized ionic liquids. In the last section, future directions and prospects for carbon capture by site-containing ionic liquids are outlined.

  6. Proteomic Approaches Identify Members of Cofilin Pathway Involved in Oral Tumorigenesis

    Science.gov (United States)

    Polachini, Giovana M.; Sobral, Lays M.; Mercante, Ana M. C.; Paes-Leme, Adriana F.; Xavier, Flávia C. A.; Henrique, Tiago; Guimarães, Douglas M.; Vidotto, Alessandra; Fukuyama, Erica E.; Góis-Filho, José F.; Cury, Patricia M.; Curioni, Otávio A.; Michaluart Jr, Pedro; Silva, Adriana M. A.; Wünsch-Filho, Victor; Nunes, Fabio D.; Leopoldino, Andréia M.; Tajara, Eloiza H.

    2012-01-01

    The prediction of tumor behavior for patients with oral carcinomas remains a challenge for clinicians. The presence of lymph node metastasis is the most important prognostic factor but it is limited in predicting local relapse or survival. This highlights the need for identifying biomarkers that may effectively contribute to prediction of recurrence and tumor spread. In this study, we used one- and two-dimensional gel electrophoresis, mass spectrometry and immunodetection methods to analyze protein expression in oral squamous cell carcinomas. Using a refinement for classifying oral carcinomas in regard to prognosis, we analyzed small but lymph node metastasis-positive versus large, lymph node metastasis-negative tumors in order to contribute to the molecular characterization of subgroups with risk of dissemination. Specific protein patterns favoring metastasis were observed in the “more-aggressive” group defined by the present study. This group displayed upregulation of proteins involved in migration, adhesion, angiogenesis, cell cycle regulation, anti-apoptosis and epithelial to mesenchymal transition, whereas the “less-aggressive” group was engaged in keratinocyte differentiation, epidermis development, inflammation and immune response. Besides the identification of several proteins not yet described as deregulated in oral carcinomas, the present study demonstrated for the first time the role of cofilin-1 in modulating cell invasion in oral carcinomas. PMID:23227181

  7. System Model Bias Processing Approach for Regional Coordinated States Information Involved Filtering

    Directory of Open Access Journals (Sweden)

    Zebo Zhou

    2016-01-01

    Full Text Available In the Kalman filtering applications, the conventional dynamic model which connects the states information of two consecutive epochs by state transition matrix is usually predefined and assumed to be invariant. Aiming to improve the adaptability and accuracy of dynamic model, we propose multiple historical states involved filtering algorithm. An autoregressive model is used as the dynamic model which is subsequently combined with observation model for deriving the optimal window-recursive filter formulae in the sense of minimum mean square error principle. The corresponding test statistics characteristics of system residuals are discussed in details. The test statistics of regional predicted residuals are then constructed in a time-window for model bias testing with two hypotheses, that is, the null and alternative hypotheses. Based on the innovations test statistics, we develop a model bias processing procedure including bias detection, location identification, and state correction. Finally, the minimum detectable bias and bias-to-noise ratio are both computed for evaluating the internal and external reliability of overall system, respectively.

  8. An ecological approach to prospective and retrospective timing of long durations: a study involving gamers.

    Directory of Open Access Journals (Sweden)

    Simon Tobin

    Full Text Available To date, most studies comparing prospective and retrospective timing have failed to use long durations and tasks with a certain degree of ecological validity. The present study assessed the effect of the timing paradigm on playing video games in a "naturalistic environment" (gaming centers. In addition, as it involved gamers, it provided an opportunity to examine the effect of gaming profile on time estimation. A total of 116 participants were asked to estimate prospectively or retrospectively a video game session lasting 12, 35 or 58 minutes. The results indicate that time is perceived as longer in the prospective paradigm than in the retrospective one, although the variability of estimates is the same. Moreover, the 12-minute session was perceived as longer, proportionally, than the 35- and 58-minute sessions. The study also revealed that the number of hours participants spent playing video games per week was a significant predictor of time estimates. To account for the main findings, the differences between prospective and retrospective timing are discussed in quantitative terms using a proposed theoretical framework, which states that both paradigms use the same cognitive processes, but in different proportions. Finally, the hypothesis that gamers play more because they underestimate time is also discussed.

  9. Dynamic Mass Transfer of Hemoglobin at the Aqueous/Ionic-Liquid Interface Monitored with Liquid Core Optical Waveguide.

    Science.gov (United States)

    Chen, Xuwei; Yang, Xu; Zeng, Wanying; Wang, Jianhua

    2015-08-04

    Protein transfer from aqueous medium into ionic liquid is an important approach for the isolation of proteins of interest from complex biological samples. We hereby report a solid-cladding/liquid-core/liquid-cladding sandwich optical waveguide system for the purpose of monitoring the dynamic mass-transfer behaviors of hemoglobin (Hb) at the aqueous/ionic liquid interface. The optical waveguide system is fabricated by using a hydrophobic IL (1,3-dibutylimidazolium hexafluorophosphate, BBimPF6) as the core, and protein solution as one of the cladding layer. UV-vis spectra are recorded with a CCD spectrophotometer via optical fibers. The recorded spectra suggest that the mass transfer of Hb molecules between the aqueous and ionic liquid media involve accumulation of Hb on the aqueous/IL interface followed by dynamic extraction/transfer of Hb into the ionic liquid phase. A part of Hb molecules remain at the interface even after the accomplishment of the extraction/transfer process. Further investigations indicate that the mass transfer of Hb from aqueous medium into the ionic liquid phase is mainly driven by the coordination interaction between heme group of Hb and the cationic moiety of ionic liquid, for example, imidazolium cation in this particular case. In addition, hydrophobic interactions also contribute to the transfer of Hb.

  10. A minimally invasive approach to restore function and esthetics in periodontally involved teeth.

    Science.gov (United States)

    Ricci, Andrea; Ferraris, Federico

    2011-01-01

    The objective of dental treatment is the elimination of the etiologic factors, the rehabilitation of function and esthetics, and, when possible, the maintenance of vitality and structure of the natural dentition. After the loss of the periodontal support, as a consequence of periodontal disease, it may be necessary to splint the residual teeth in order to improve their stability, and sometimes it is also necessary to modify the morphology to optimize the final esthetic outcome. In many periodontally treated teeth, prosthodontic treatment on the residual dentition will be required with an important loss of tooth structure as an unavoidable consequence. This procedure frequently requires endodontic treatment of the residual abutments in order to obtain the necessary space for replacement materials. Similar objectives could however be achieved through an alternative therapy where the esthetic remodeling of the teeth and the closure of the interproximal spaces is obtained with composite resin materials. The objective of this article is to present an alternative protocol to optimize the functional and esthetic result of periodontally treated cases, where the most frequent complication is the increased length of the clinical crown. This is obtained by utilizing a different conservative approach, which has as its main objective the stabilization of the residual teeth, the maintenance of their vitality, and the achievement of the best esthetic result possible.

  11. Oxaliplatin neurotoxicity involves peroxisome alterations. PPARγ agonism as preventive pharmacological approach.

    Directory of Open Access Journals (Sweden)

    Matteo Zanardelli

    Full Text Available The development of neuropathic syndromes is an important, dose limiting side effect of anticancer agents like platinum derivates, taxanes and vinca alkaloids. The causes of neurotoxicity are still unclear but the impairment of the oxidative equilibrium is strictly related to pain. Two intracellular organelles, mitochondria and peroxisomes cooperate to the maintaining of the redox cellular state. Whereas a relationship between chemotherapy-dependent mitochondrial alteration and neuropathy has been established, the role of peroxisome is poor explored. In order to study the mechanisms of oxaliplatin-induced neurotoxicity, peroxisomal involvement was evaluated in vitro and in vivo. In primary rat astrocyte cell culture, oxaliplatin (10 µM for 48 h or 1 µM for 5 days increased the number of peroxisomes, nevertheless expression and functionality of catalase, the most important antioxidant defense enzyme in mammalian peroxisomes, were significantly reduced. Five day incubation with the selective Peroxisome Proliferator Activated Receptor-γ (PPAR-γ antagonist G3335 (30 µM induced a similar peroxisomal impairment suggesting a relationship between PPARγ signaling and oxaliplatin neurotoxicity. The PPARγ agonist rosiglitazone (10 µM reduced the harmful effects induced both by G3335 and oxaliplatin. In vivo, in a rat model of oxaliplatin induced neuropathy, a repeated treatment with rosiglitazone (3 and 10 mg kg(-1 per os significantly reduced neuropathic pain evoked by noxious (Paw pressure test and non-noxious (Cold plate test stimuli. The behavioral effect paralleled with the prevention of catalase impairment induced by oxaliplatin in dorsal root ganglia. In the spinal cord, catalase protection was showed by the lower rosiglitazone dosage without effect on the astrocyte density increase induced by oxaliplatin. Rosiglitazone did not alter the oxaliplatin-induced mortality of the human colon cancer cell line HT-29. These results highlight the role

  12. Modeling of ionic liquids

    Science.gov (United States)

    Tatlipinar, Hasan

    2017-02-01

    Ionic liquids are very important entry to industry and technology. Because of their unique properties they may classified as a new class of materials. IL usually classified as a high temperature ionic liquids (HTIL) and room temperature ionic liquids (RTIL). HTIL are molten salts. There are many research studies on molten salts such as recycling, new energy sources, rare elements mining. RTIL recently become very important in daily life industry because of their "green chemistry" properties. As a simple view ionic liquids consist of one positively charged and one negatively charged components. Because of their Coulombic or dispersive interactions the local structure of ionic liquids emerges. In this presentation the local structural properties of the HTIL are discussed via correlation functions and integral equation theories. RTIL are much more difficult to do modeling, but still general consideration for the modeling of the HTIL is valid also for the RTIL.

  13. A holistic approach to chronic pain management that involves all stakeholders: change is needed.

    Science.gov (United States)

    Kress, Hans-Georg; Aldington, Dominic; Alon, Eli; Coaccioli, Stefano; Collett, Beverly; Coluzzi, Flaminia; Huygen, Frank; Jaksch, Wolfgang; Kalso, Eija; Kocot-Kępska, Magdalena; Mangas, Ana Cristina; Ferri, Cesar Margarit; Mavrocordatos, Philippe; Morlion, Bart; Müller-Schwefe, Gerhard; Nicolaou, Andrew; Hernández, Concepción Pérez; Sichère, Patrick

    2015-01-01

    Chronic pain affects a large proportion of the population, imposing significant individual distress and a considerable burden on society, yet treatment is not always instituted and/or adequate. Comprehensive multidisciplinary management based on the biopsychosocial model of pain has been shown to be clinically effective and cost-efficient, but is not widely available. A literature review of stakeholder groups revealed many reasons for this, including: i) many patients believe healthcare professionals lack relevant knowledge, and consultations are rushed, ii) general practitioners consider that pain management has a low priority and is under-resourced, iii) pain specialists cite non-adherence to evidence-based treatment, sub-optimal prescribing, and chronic pain not being regarded as a disease in its own right, iv) nurses', pharmacists' and physiotherapists' skills are not fully utilized, and v) psychological therapy is employed infrequently and often too late. Many of the issues relating to physicians could be addressed by improving medical training, both at undergraduate and postgraduate levels - for example, by making pain medicine a compulsory core subject of the undergraduate medical curriculum. This would improve physician/patient communication, increase the use of standardized pain assessment tools, and allow more patients to participate in treatment decisions. Patient care would also benefit from improved training for other multidisciplinary team members; for example, nurses could provide counseling and follow-up support, psychologists offer coping skills training, and physiotherapists have a greater role in rehabilitation. Equally important measures include the widespread adoption of a patient-centered approach, chronic pain being recognized as a disease in its own right, and the development of universal guidelines for managing chronic non-cancer pain. Perhaps the greatest barrier to improvement is lack of political will at both national and international

  14. Reducing uncertainty in flood frequency analyses: A comparison of local and regional approaches involving information on extreme historical floods

    Science.gov (United States)

    Halbert, K.; Nguyen, C. C.; Payrastre, O.; Gaume, E.

    2016-10-01

    This paper proposes a detailed comparison of local and regional approaches for flood frequency analyses, with a special emphasis on the effects of (a) the information on extreme floods used in the analysis (historical data or recent extreme floods observed at ungauged sites), and (b) the assumptions associated with regional approaches (statistical homogeneity of considered series, independence of observations). The results presented are based on two case studies: the Ard e ̀ che and Argens rivers regions in south-east of France. Four approaches are compared: 1 - local analysis based on continuous measured series, 2 - local analysis with historical information, 3 - regional index-flood analysis based on continuous series, 4 - regional analysis involving information on extremes (including both historical floods and recent floods observed at ungauged sites). The inference approach used is based on a GEV distribution and a Bayesian Monte Carlo Markov Chain approach for parameters estimation. The comparison relies both on (1) available observed datasets and (2) Monte Carlo simulations in order to evaluate the effects of sampling variability and to analyze the possible influence of regional heterogeneities. The results indicate that a relatively limited level of regional heterogeneity, which may not be detected through homogeneity tests, may significantly affect the performances of regional approaches. These results also illustrate the added value of information on extreme floods, historical floods or recent floods observed at ungauged sites, in both local and regional approaches. As far as possible, gathering such information and incorporating it into flood frequency studies should be promoted. Finally, the presented Monte Carlo simulations appear as an interesting analysis tool for adapting the estimation strategy to the available data for each specific case study.

  15. Aqueous Solutions of Ionic Liquids: Microscopic Assembly.

    Science.gov (United States)

    Vicent-Luna, Jose Manuel; Dubbeldam, David; Gómez-Álvarez, Paula; Calero, Sofia

    2016-02-01

    Aqueous solutions of ionic liquids are of special interest, due to the distinctive properties of ionic liquids, in particular, their amphiphilic character. A better understanding of the structure-property relationships of such systems is hence desirable. One of the crucial molecular-level interactions that influences the macroscopic behavior is hydrogen bonding. In this work, we conduct molecular dynamics simulations to investigate the effects of ionic liquids on the hydrogen-bond network of water in dilute aqueous solutions of ionic liquids with various combinations of cations and anions. Calculations are performed for imidazolium-based cations with alkyl chains of different lengths and for a variety of anions, namely, [Br](-), [NO3](-), [SCN](-) [BF4](-), [PF6](-), and [Tf2N](-). The structure of water and the water-ionic liquid interactions involved in the formation of a heterogeneous network are analyzed by using radial distribution functions and hydrogen-bond statistics. To this end, we employ the geometric criterion of the hydrogen-bond definition and it is shown that the structure of water is sensitive to the amount of ionic liquid and to the anion type. In particular, [SCN](-) and [Tf2N](-) were found to be the most hydrophilic and hydrophobic anions, respectively. Conversely, the cation chain length did not influence the results.

  16. An Approach to Solid-State Electrical Double Layer Capacitors Fabricated with Graphene Oxide-Doped, Ionic Liquid-Based Solid Copolymer Electrolytes

    Directory of Open Access Journals (Sweden)

    N. F. A. Fattah

    2016-06-01

    Full Text Available Solid polymer electrolyte (SPE composed of semi-crystalline poly (vinylidene fluoride-hexafluoropropylene [P(VdF-HFP] copolymer, 1-ethyl-3-methylimidazolium bis (trifluoromethyl sulphonyl imide [EMI-BTI] and graphene oxide (GO was prepared and its performance evaluated. The effects of GO nano-filler were investigated in terms of enhancement in ionic conductivity along with the electrochemical properties of its electrical double layer capacitors (EDLC. The GO-doped SPE shows improvement in ionic conductivity compared to the P(VdF-HFP-[EMI-BTI] SPE system due to the existence of the abundant oxygen-containing functional group in GO that assists in the improvement of the ion mobility in the polymer matrix. The complexation of the materials in the SPE is confirmed in X-ray diffraction (XRD and thermogravimetric analysis (TGA studies. The electrochemical performance of EDLC fabricated with GO-doped SPE is examined using cyclic voltammetry and charge–discharge techniques. The maximum specific capacitance obtained is 29.6 F∙g−1, which is observed at a scan rate of 3 mV/s in 6 wt % GO-doped, SPE-based EDLC. It also has excellent cyclic retention as it is able keep the performance of the EDLC at 94% even after 3000 cycles. These results suggest GO doped SPE plays a significant role in energy storage application.

  17. Electronic polarizability of ionic crystals

    Science.gov (United States)

    Ivanov, O. V.; Maksimov, E. G.

    1992-01-01

    The electronic polarizability of ionic crystals is considered in the framework of the Gordon-Kim electron gas model. First a polarization of a single ion is calculated by using the modified Sternheimer approach. Then the interaction between two ions with dipole momenta p n and p n' is studied using the Thomas-Fermi type approximation for the energy functional. By expressing the total energy as a functional of the polarizations p n instead of an electric field E and minimizing this functional with respect to p n linear equations for p n are obtained. Solution of these equations leads to the Clausius-Mossotti type expression for dielectric constant ∈ ∞ of ionic crystals in terms of a cell polarizability. It is shown that the cell polarizability can not be expressed in terms of an averaged ion polarizability only but includes also some non-local contributions due to a short-range interactions between ions. Numerical calculations lead to a good agreement with experimental data for a number of ionic crystals.

  18. Predictions of Physicochemical Properties of Ionic Liquids with DFT

    Directory of Open Access Journals (Sweden)

    Karl Karu

    2016-07-01

    Full Text Available Nowadays, density functional theory (DFT-based high-throughput computational approach is becoming more efficient and, thus, attractive for finding advanced materials for electrochemical applications. In this work, we illustrate how theoretical models, computational methods, and informatics techniques can be put together to form a simple DFT-based throughput computational workflow for predicting physicochemical properties of room-temperature ionic liquids. The developed workflow has been used for screening a set of 48 ionic pairs and for analyzing the gathered data. The predicted relative electrochemical stabilities, ionic charges and dynamic properties of the investigated ionic liquids are discussed in the light of their potential practical applications.

  19. Computational approach for identification of Anopheles gambiae miRNA involved in modulation of host immune response.

    Science.gov (United States)

    Thirugnanasambantham, Krishnaraj; Hairul-Islam, Villianur Ibrahim; Saravanan, Subramanian; Subasri, Subramaniyan; Subastri, Ariraman

    2013-05-01

    MicroRNAs (miRNAs) are small, noncoding RNAs that play key roles in regulating gene expression in animals, plants, and viruses, which involves in biological processes including development, cancer, immunity, and host-microorganism interactions. In this present study, we have used the computational approach to identify potent miRNAs involved in Anopheles gambiae immune response. Analysis of 217,261 A. gambiae ESTs and further study of RNA folding revealed six new miRNAs. The minimum free energy of the predicted miRNAs ranged from -27.2 to -62.63 kcal/mol with an average of -49.38 kcal/mol. While its A + U % ranges from 50 to 65 % with an average value of 57.37 %. Phylogenetic analysis of the predicted miRNAs revealed that aga-miR-277 was evolutionary highly conserved with more similarity with other mosquito species. Observing further the target identification of the predicted miRNA, it was noticed that the aga-miR-2304 and aga-miR-2390 are involved in modulation of immune response by targeting the gene encoding suppressin and protein prophenoloxidase. Further detailed studies of these miRNAs will help in revealing its function in modulation of A. gambiae immune response with respect to its parasite.

  20. Ionic liquids in tribology.

    Science.gov (United States)

    Minami, Ichiro

    2009-06-24

    Current research on room-temperature ionic liquids as lubricants is described. Ionic liquids possess excellent properties such as non-volatility, non-flammability, and thermo-oxidative stability. The potential use of ionic liquids as lubricants was first proposed in 2001 and approximately 70 articles pertaining to fundamental research on ionic liquids have been published through May 2009. A large majority of the cations examined in this area are derived from 1,3-dialkylimidazolium, with a higher alkyl group on the imidazolium cation being beneficial for good lubrication, while it reduces the thermo-oxidative stability. Hydrophobic anions provide both good lubricity and significant thermo-oxidative stability. The anions decompose through a tribochemical reaction to generate metal fluoride on the rubbed surface. Additive technology to improve lubricity is also explained. An introduction to tribology as an interdisciplinary field of lubrication is also provided.

  1. Ionic Liquids in Tribology

    Directory of Open Access Journals (Sweden)

    Ichiro Minami

    2009-06-01

    Full Text Available Current research on room-temperature ionic liquids as lubricants is described. Ionic liquids possess excellent properties such as non-volatility, non-flammability, and thermo-oxidative stability. The potential use of ionic liquids as lubricants was first proposed in 2001 and approximately 70 articles pertaining to fundamental research on ionic liquids have been published through May 2009. A large majority of the cations examined in this area are derived from 1,3-dialkylimidazolium, with a higher alkyl group on the imidazolium cation being beneficial for good lubrication, while it reduces the thermo-oxidative stability. Hydrophobic anions provide both good lubricity and significant thermo-oxidative stability. The anions decompose through a tribochemical reaction to generate metal fluoride on the rubbed surface. Additive technology to improve lubricity is also explained. An introduction to tribology as an interdisciplinary field of lubrication is also provided.

  2. Fullerol ionic fluids

    KAUST Repository

    Fernandes, Nikhil

    2010-01-01

    We report for the first time an ionic fluid based on hydroxylated fullerenes (fullerols). The ionic fluid was synthesized by neutralizing the fully protonated fullerol with an amine terminated polyethylene/polypropylene oxide oligomer (Jeffamine®). The ionic fluid was compared to a control synthesized by mixing the partially protonated form (sodium form) of the fullerols with the same oligomeric amine in the same ratio as in the ionic fluids (20 wt% fullerol). In the fullerol fluid the ionic bonding significantly perturbs the thermal transitions and melting/crystallization behavior of the amine. In contrast, both the normalized heat of fusion and crystallization of the amine in the control are similar to those of the neat amine consistent with a physical mixture of the fullerols/amine with minimal interactions. In addition to differences in thermal behavior, the fullerol ionic fluid exhibits a complex viscoelastic behavior intermediate between the neat Jeffamine® (liquid-like) and the control (solid-like). © 2010 The Royal Society of Chemistry.

  3. Participatory approaches involving community and healthcare providers in family planning/contraceptive information and service provision: a scoping review.

    Science.gov (United States)

    Steyn, Petrus S; Cordero, Joanna Paula; Gichangi, Peter; Smit, Jennifer A; Nkole, Theresa; Kiarie, James; Temmerman, Marleen

    2016-07-22

    As efforts to address unmet need for family planning and contraception (FP/C) accelerate, voluntary use, informed choice and quality must remain at the fore. Active involvement of affected populations has been recognized as one of the key principles in ensuring human rights in the provision of FP/C and in improving quality of care. However, community participation continues to be inadequately addressed in large-scale FP/C programmes. Community and healthcare providers' unequal relationship can be a barrier to successful participation. This scoping review identifies participatory approaches involving both community and healthcare providers for FP/C services and analyzes relevant evidence. The detailed analysis of 25 articles provided information on 28 specific programmes and identified three types of approaches for community and healthcare provider participation in FP/C programmes. The three approaches were: (i) establishment of new groups either health committees to link the health service providers and users or implementation teams to conduct specific activities to improve or extend available health services, (ii) identification of and collaboration with existing community structures to optimise use of health services and (iii) operationalization of tools to facilitate community and healthcare provider collaboration for quality improvement. Integration of community and healthcare provider participation in FP/C provision were conducted through FP/C-only programmes, FP/C-focused programmes and/or as part of a health service package. The rationales behind the interventions varied and may be multiple. Examples include researcher-, NGO- or health service-initiated programmes with clear objectives of improving FP/C service provision or increasing demand for services; facilitating the involvement of community members or service users and, in some cases, may combine socio-economic development and increasing self-reliance or control over sexual and reproductive health

  4. On Heuristic Approach for Solution of Scheduling Problem Involving Transportation Time and Break-down Times for Three Machines

    Directory of Open Access Journals (Sweden)

    A. Khodadadi

    2014-04-01

    Full Text Available In most manufacturing and distribution systems, semi-finished jobs are transferred from one processing facility to another by transporters such as automated guided vehicles and conveyors and finished jobs are delivered to customers or warehouses by vehicles such as trucks. Most machine scheduling models assume either that there are a finite number of transporters for delivering jobs or that jobs are delivered instantaneously from one location to another without transportation time involved. In this study we study a new simple heuristic algorithm for a ‘3-machine, n-job’ flow shop scheduling problem in which transportation time and break down times of machines are considered. A heuristic approach method to find optimal and near optimal sequence minimizing the total elapsed time.

  5. Dynamic Involvement of Real World Objects in the IoT: A Consensus-Based Cooperation Approach.

    Science.gov (United States)

    Pilloni, Virginia; Atzori, Luigi; Mallus, Matteo

    2017-03-01

    A significant role in the Internet of Things (IoT) will be taken by mobile and low-cost unstable devices, which autonomously self-organize and introduce highly dynamic and heterogeneous scenarios for the deployment of distributed applications. This entails the devices to cooperate to dynamically find the suitable combination of their involvement so as to improve the system reliability while following the changes in their status. Focusing on the above scenario, we propose a distributed algorithm for resources allocation that is run by devices that can perform the same task required by the applications, allowing for a flexible and dynamic binding of the requested services with the physical IoT devices. It is based on a consensus approach, which maximizes the lifetime of groups of nodes involved and ensures the fulfillment of the requested Quality of Information (QoI) requirements. Experiments have been conducted with real devices, showing an improvement of device lifetime of more than 20 % , with respect to a uniform distribution of tasks.

  6. The challenges involved in elucidating the molecular basis of sperm-egg recognition in mammals and approaches to overcome them.

    Science.gov (United States)

    Wright, Gavin J; Bianchi, Enrica

    2016-01-01

    Sexual reproduction is used by many different organisms to create a new generation of genetically distinct progeny. Cells originating from separate sexes or mating types segregate their genetic material into haploid gametes which must then recognize and fuse with each other in a process known as fertilization to form a diploid zygote. Despite the central importance of fertilization, we know remarkably little about the molecular mechanisms that are involved in how gametes recognize each other, particularly in mammals, although the proteins that are displayed on their surfaces are almost certainly involved. This paucity of knowledge is largely due to both the unique biological properties of mammalian gametes (sperm and egg) which make them experimentally difficult to manipulate, and the technical challenges of identifying interactions between membrane-embedded cell surface receptor proteins. In this review, we will discuss our current knowledge of animal gamete recognition, highlighting where important contributions to our understanding were made, why particular model systems were helpful, and why progress in mammals has been particularly challenging. We discuss how the development of mammalian in vitro fertilization and targeted gene disruption in mice were important technological advances that triggered progress. We argue that approaches employed to discover novel interactions between cell surface gamete recognition proteins should account for the unusual biochemical properties of membrane proteins and the typically highly transient nature of their interactions. Finally, we describe how these principles were applied to identify Juno as the egg receptor for sperm Izumo1, an interaction that is essential for mammalian fertilization.

  7. Dynamic Involvement of Real World Objects in the IoT: A Consensus-Based Cooperation Approach

    Directory of Open Access Journals (Sweden)

    Virginia Pilloni

    2017-03-01

    Full Text Available A significant role in the Internet of Things (IoT will be taken by mobile and low-cost unstable devices, which autonomously self-organize and introduce highly dynamic and heterogeneous scenarios for the deployment of distributed applications. This entails the devices to cooperate to dynamically find the suitable combination of their involvement so as to improve the system reliability while following the changes in their status. Focusing on the above scenario, we propose a distributed algorithm for resources allocation that is run by devices that can perform the same task required by the applications, allowing for a flexible and dynamic binding of the requested services with the physical IoT devices. It is based on a consensus approach, which maximizes the lifetime of groups of nodes involved and ensures the fulfillment of the requested Quality of Information (QoI requirements. Experiments have been conducted with real devices, showing an improvement of device lifetime of more than 20 % , with respect to a uniform distribution of tasks.

  8. Tilts and Ionic Shifts in Rhombohedral Perovskites

    NARCIS (Netherlands)

    Noheda, Beatriz; Duan, Ning; Cereceda, Noé; Gonzalo, Julio A.

    1998-01-01

    We make a comparative analysis of rhombohedral perovskites (ABO3) with/without oxygen rotations and ionic shifts, within the framework of a generalised effective field approach. We analyse available data on LaAlO3 and LiTaO3 and new data on Zr-rich PZT, examples of three different ways of structural

  9. A transcriptomic approach to identify regulatory genes involved in fruit set of wild-type and parthenocarpic tomato genotypes.

    Science.gov (United States)

    Ruiu, Fabrizio; Picarella, Maurizio Enea; Imanishi, Shunsuke; Mazzucato, Andrea

    2015-10-01

    The tomato parthenocarpic fruit (pat) mutation associates a strong competence for parthenocarpy with homeotic transformation of anthers and aberrancy of ovules. To dissect this complex floral phenotype, genes involved in the pollination-independent fruit set of the pat mutant were investigated by microarray analysis using wild-type and mutant ovaries. Normalized expression data were subjected to one-way ANOVA and 2499 differentially expressed genes (DEGs) displaying a >1.5 log-fold change in at least one of the pairwise comparisons analyzed were detected. DEGs were categorized into 20 clusters and clusters classified into five groups representing transcripts with similar expression dynamics. The "regulatory function" group (685 DEGs) contained putative negative or positive fruit set regulators, "pollination-dependent" (411 DEGs) included genes activated by pollination, "fruit growth-related" (815 DEGs) genes activated at early fruit growth. The last groups listed genes with different or similar expression pattern at all stages in the two genotypes. qRT-PCR validation of 20 DEGs plus other four selected genes assessed the high reliability of microarray expression data; the average correlation coefficient for the 20 DEGs was 0.90. In all the groups were evidenced relevant transcription factors encoding proteins regulating meristem differentiation and floral organ development, genes involved in metabolism, transport and response of hormones, genes involved in cell division and in primary and secondary metabolism. Among pathways related to secondary metabolites emerged genes related to the synthesis of flavonoids, supporting the recent evidence that these compounds are important at the fruit set phase. Selected genes showing a de-regulated expression pattern in pat were studied in other four parthenocarpic genotypes either genetically anonymous or carrying lesions in known gene sequences. This comparative approach offered novel insights for improving the present

  10. Coupling of OECD standardized test and immunomarkers to select the most environmentally benign ionic liquids option—Towards an innovative “safety by design” approach

    Energy Technology Data Exchange (ETDEWEB)

    Bado-Nilles, Anne, E-mail: Anne.Bado-Nilles@ineris.fr [Institut National de l’Environnement Industriel et des Risques (INERIS), UMR-I 02 SEBIO, B.P. 2, 60550 Verneuil-en-Halatte (France); Université de Reims Champagne-Ardenne, UMR-I 02 SEBIO, Campus Moulin de la Housse, B.P. 1039, 51687 REIMS cedex (France); Diallo, Alpha-Oumar, E-mail: Alpha-Oumar.Diallo@ineris.fr [INERIS, Pôle Substances et Procédés, B.P. 2, 60550 Verneuil-en-Halatte (France); Marlair, Guy, E-mail: Guy.Marlair@ineris.fr [INERIS, Pôle Substances et Procédés, B.P. 2, 60550 Verneuil-en-Halatte (France); Pandard, Pascal, E-mail: Pascal.Pandard@ineris.fr [INERIS, Unité Expertise et essais en écotoxicologie, B.P. 2, 60550 Verneuil-en-Halatte (France); Chabot, Laure, E-mail: Laure.Chabot@ineris.fr [INERIS, Unité Expertise et essais en écotoxicologie, B.P. 2, 60550 Verneuil-en-Halatte (France); Geffard, Alain, E-mail: Alain.Geffard@univ-reims.fr [Université de Reims Champagne-Ardenne, UMR-I 02 SEBIO, Campus Moulin de la Housse, B.P. 1039, 51687 REIMS cedex (France); Len, Christophe, E-mail: Christophe.Len@utc.fr [Université Technologique de Compiègne/ESCOM, EA 4297, Transformations Intégrées de la Matière Renouvelable, Centre de Recherches de Royallieu, B.P. 20529, F-60205 Compiègne Cedex (France); Department of Chemistry, University of Hull, Hull HU6 7RX (United Kingdom); and others

    2015-02-11

    Highlights: • Development of innovative method for more in depth assessment of ecotoxicity of ILs. • Lower toxicity of imidazolium compared to phosphonium-based ILs. • ILs families possessed dissimilar effect on immune system of fish. • More impact of cation than anion in toxicological and biological activities. - Abstract: This paper proposed a potential industrial accompaniment to reduce ionic liquid harmfulness by a novel combination of OECD Daphnia magna standardized test and fish immunomarkers. The combination of these two tests allowed multicriteria examination of ILs impacts in different organisms and trophic levels. The work provided new data for legislation and opened a door towards an integrative environmental evaluation due to direct implications of immune system in fish and ecosystem health. Whatever the species, each IL tested induced deleterious effects suggesting that toxic impact was especially due to IL lipophilicity properties. Nevertheless, cation moieties of ILs seemed to draw overall toxicity of ILs to significant extent as supported by lower cell mortality shown with imidazolium-based ILs compared to phosphonium-based ILs. However, the anions moieties have some additional effect, as revealed by quite dissimilar toxicity within same IL family. Concerning the more integrative biomarkers, the cationic-based ILs tested possessed also dissimilar effect on immune system of fish, especially on leucocyte distribution, lysosomal membrane integrity and phagocytosis activity. These results confirm that ILs toxicity could be influenced by design and that chemical engineering processes can integrate ecological footprint reduction strategies for successful IL utilization in the future.

  11. Fixed drug eruption induced by an iodinated non-ionic X-ray contrast medium: a practical approach to identify the causative agent and to prevent its recurrence

    Energy Technology Data Exchange (ETDEWEB)

    Boehm, Ingrid; Block, Wolfgang; Schild, Hans H. [University of Bonn, Department of Radiology, Bonn (Germany); Medina, Jesus; Prieto, Pilar [JUSTESA IMAGEN SA, Biological R and D Department, Madrid (Spain)

    2007-02-15

    We describe the case of a 61-year-old physician who developed a fixed drug eruption (FDE) after i.v. administration of a non-ionic monomeric iodinated X-ray contrast medium (CM) (iopromide). During CM injection, a sensation of heat occurred, which was most intense in the right inguinal region. Four hours later, the FDE arose with a red macule of approximately 2 cm in diameter covering a dermal infiltration in the right inguinal region, and enlarged up to a final size of 15 x 8 cm, accompanied by a burning sensation. The patient's history revealed a similar reaction in the same localization and of the same clinical appearance after CM injection 1 year before. Patch testing 4 months later revealed positive reactions to iomeprol and iohexol. Iopamidol injection for another CT examination 23 months later was well tolerated. Based on these results, we suggest patch testing after CM-induced FDE, which could help to select a CM for future CT examinations. Late onset of adverse CM reactions may manifest as FDE. Patch testing within the previous skin reaction area is the diagnostic tool that should be used to confirm the suspected agent, possible cross-reacting agents and well-tolerated agents. (orig.)

  12. A QUICK AND GREEN IONIC LIQUID-MEDIATED APPROACH FOR THE SYNTHESIS OF HIGH-PERFORMANCE, ORGANOSOLUBLE AND THERMALLY STABLE POLYIMIDES

    Institute of Scientific and Technical Information of China (English)

    Mehdi Taghavi; Mousa Ghaemy; Marjan Hassanzadeh; Seyed Mojtaba Amini Nasab

    2013-01-01

    Three diamine monomers with different derivatives of imidazole heterocyclic ring and meta-linked aryl ethers were synthesized and used in polycodensation reaction with various commercial dianhydrides for preparation of a series of novel poly(ether-imide) (PEI)s.The polycodensation reactions were carried out by using conventional method and in a green medium of ionic liquid (IL) without using NMP-pyridine-acetic anhydride.The PEIs were obtained in good yields (80%-96%) with moderate viscosity (0.48-0.66 dL/g) in a shorter reaction time (10 h) in IL as compared with the conventional method (36 h).All of the polymers were amorphous in nature,showed excellent solubility in amide-type polar aprotic solvents with ability to form tough and flexible films,and excellent thermal stability with TgS in the range of 212-340 ℃ and 10% weight loss temperature (T10) up to 570 ℃ in N2 and 528 ℃ in air.

  13. A Machine Learning Approach to Identify Clinical Trials Involving Nanodrugs and Nanodevices from ClinicalTrials.gov

    Science.gov (United States)

    de la Iglesia, Diana; García-Remesal, Miguel; Anguita, Alberto; Muñoz-Mármol, Miguel; Kulikowski, Casimir; Maojo, Víctor

    2014-01-01

    Background Clinical Trials (CTs) are essential for bridging the gap between experimental research on new drugs and their clinical application. Just like CTs for traditional drugs and biologics have helped accelerate the translation of biomedical findings into medical practice, CTs for nanodrugs and nanodevices could advance novel nanomaterials as agents for diagnosis and therapy. Although there is publicly available information about nanomedicine-related CTs, the online archiving of this information is carried out without adhering to criteria that discriminate between studies involving nanomaterials or nanotechnology-based processes (nano), and CTs that do not involve nanotechnology (non-nano). Finding out whether nanodrugs and nanodevices were involved in a study from CT summaries alone is a challenging task. At the time of writing, CTs archived in the well-known online registry ClinicalTrials.gov are not easily told apart as to whether they are nano or non-nano CTs—even when performed by domain experts, due to the lack of both a common definition for nanotechnology and of standards for reporting nanomedical experiments and results. Methods We propose a supervised learning approach for classifying CT summaries from ClinicalTrials.gov according to whether they fall into the nano or the non-nano categories. Our method involves several stages: i) extraction and manual annotation of CTs as nano vs. non-nano, ii) pre-processing and automatic classification, and iii) performance evaluation using several state-of-the-art classifiers under different transformations of the original dataset. Results and Conclusions The performance of the best automated classifier closely matches that of experts (AUC over 0.95), suggesting that it is feasible to automatically detect the presence of nanotechnology products in CT summaries with a high degree of accuracy. This can significantly speed up the process of finding whether reports on ClinicalTrials.gov might be relevant to a

  14. Comparison of two ionic liquid dispersive liquid-liquid microextraction approaches for the determination of benzoylurea insecticides in wastewater using liquid chromatography-quadrupole-linear ion trap-mass spectrometry: evaluation of green parameters.

    Science.gov (United States)

    Vázquez, M M Parrilla; Vázquez, P Parrilla; Galera, M Martínez; Moreno, A Uclés

    2014-08-22

    Two dispersive liquid-liquid microextraction (DLLME) approaches including temperature-controlled ionic liquid dispersive liquid-liquid microextraction (TCIL-DLLME) and ultrasound-assisted ionic liquid dispersive liquid-liquid microextraction (US-IL-DLLME) were compared for the extraction of six benzoylurea insecticides (diflubenzuron, triflumuron, hexaflumuron, teflubenzuron, lufenuron and flufenoxuron) from wastewater samples prior to their determination by high-performance liquid chromatography with a hybrid triple quadrupole-linear ion trap-mass spectrometer (LC-QqLIT-MS/MS). Influential parameters affecting extraction efficiency were systematically studied and optimized and the most significant green parameters were quantified and compared. The best results were obtained using the US-IL-DLLME procedure, which employed the IL 1-octyl-3-methylimidazolium hexafluorophosphate ([C8MIM][PF6]) and methanol (MeOH) as extraction and disperser solvent, respectively. US-IL-DLLME procedure was fast, easy, low environmental toxicity and, it was also able to successfully extract all selected benzoylureas. This method was extensively validated with satisfactory results: limits of detection and quantification were in the range 0.5-1.0 ng L(-1) and 1.5-3.5 ng L(-1), respectively, whereas recovery rates ranged from 89 to 103% and the relative standard deviations were lower than 13.4%. The applicability of the method was assessed with the analysis of effluent wastewater samples from a wastewater treatment plant located in an agricultural zone of Almería (Spain) and the results indicated the presence of teflubenzuron at mean concentration levels of 11.3 ng L(-1). US-IL-DLLME sample treatment in combination with LC-QqLIT-MS/MS has demonstrated to be a sensitive, selective and efficient method to determine benzoylurea insecticides in wastewaters at ultra-trace levels.

  15. Practice-Informed Approaches to Addressing Substance Abuse and Trauma Exposure in Urban Native Families Involved with Child Welfare.

    Science.gov (United States)

    Lucero, Nancy M; Bussey, Marian

    2015-01-01

    Similar to families from other groups, urban-based American Indian and Alaska Native ("Native") family members involved with the child welfare system due to substance abuse issues are also often challenged by untreated trauma exposure. The link between these conditions and the history of genocidal policies aimed at destroying Native family ties, as well as experiences of ongoing discrimination, bring added dimensions for consideration when pro- viding services to these families. Practice-based evidence indicates that the trauma-informed and culturally responsive model developed by the Denver Indian Family Resource Center (DIFRC) shows promise in reducing out-of-home placements and re-referrals in urban Native families with substance abuse and child welfare concerns, while also increasing caregiver capabilities, family safety, and child well-being. This article provides strategies from the DIFRC approach that non-Native caseworkers and supervisors can utilize to create an environment in their own agencies that supports culturally based practice with Native families while incorporating a trauma-informed understanding of service needs of these families. Casework consistent with this approach demonstrates actions that meet the Active Efforts requirement of the Indian Child Welfare Act (ICWA) as well as sound clinical practice. Intensive and proactive case management designed specifically for families with high levels of service needs is a key strategy when combined with utilizing a caseworker brief screening tool for trauma exposure; training caseworkers to recognize trauma symptoms, making timely referrals to trauma treatment by behavioral health specialists experienced in working with Native clients, and providing a consistent service environment that focuses on client safety and worker trustworthiness. Finally, suggestions are put forth for agencies seeking to enhance their cultural responsiveness and include increasing workers' understanding of cultural values

  16. A microarray approach to identify genes involved in seed-pericarp cross-talk and development in peach

    Directory of Open Access Journals (Sweden)

    Zaffalon Valerio

    2011-06-01

    Full Text Available Abstract Background Field observations and a few physiological studies have demonstrated that peach embryogenesis and fruit development are tightly coupled. In fact, attempts to stimulate parthenocarpic fruit development by means of external tools have failed. Moreover, physiological disturbances during early embryo development lead to seed abortion and fruitlet abscission. Later in embryo development, the interactions between seed and fruit development become less strict. As there is limited genetic and molecular information about seed-pericarp cross-talk and development in peach, a massive gene approach based on the use of the μPEACH 1.0 array platform and quantitative real time RT-PCR (qRT-PCR was used to study this process. Results A comparative analysis of the transcription profiles conducted in seed and mesocarp (cv Fantasia throughout different developmental stages (S1, S2, S3 and S4 evidenced that 455 genes are differentially expressed in seed and fruit. Among differentially expressed genes some were validated as markers in two subsequent years and in three different genotypes. Seed markers were a LTP1 (lipid transfer protein, a PR (pathogenesis-related protein, a prunin and LEA (Late Embryogenesis Abundant protein, for S1, S2, S3 and S4, respectively. Mesocarp markers were a RD22-like protein, a serin-carboxypeptidase, a senescence related protein and an Aux/IAA, for S1, S2, S3 and S4, respectively. The microarray data, analyzed by using the HORMONOMETER platform, allowed the identification of hormone-responsive genes, some of them putatively involved in seed-pericarp crosstalk. Results indicated that auxin, cytokinins, and gibberellins are good candidates, acting either directly (auxin or indirectly as signals during early development, when the cross-talk is more active and vital for fruit set, whereas abscisic acid and ethylene may be involved later on. Conclusions In this research, genes were identified marking different phases of

  17. Ionic liquids in chemical engineering.

    Science.gov (United States)

    Werner, Sebastian; Haumann, Marco; Wasserscheid, Peter

    2010-01-01

    The development of engineering applications with ionic liquids stretches back to the mid-1990s when the first examples of continuous catalytic processes using ionic liquids and the first studies of ionic liquid-based extractions were published. Ever since, the use of ionic liquids has seen tremendous progress in many fields of chemistry and engineering, and the first commercial applications have been reported. The main driver for ionic liquid engineering applications is to make practical use of their unique property profiles, which are the result of a complex interplay of coulombic, hydrogen bonding and van der Waals interactions. Remarkably, many ionic liquid properties can be tuned in a wide range by structural modifications at their cation and anion. This review highlights specific examples of ionic liquid applications in catalysis and in separation technologies. Additionally, the application of ionic liquids as working fluids in process machines is introduced.

  18. Applications of functionalized ionic liquids

    Institute of Scientific and Technical Information of China (English)

    LI; Xuehui; ZHAO; Dongbin; FEI; Zhaofu; WANG; Lefu

    2006-01-01

    Recent developments of the synthesis and applications of functionalized ionic liquids(including dual-functionalized ionic liquids) have been highlighted in this review. Ionic liquids are attracting attention as alternative solvents in green chemistry, but as more functionalized ILs are prepared, a greater number of applications in increasingly diverse fields are found.

  19. Fun with Ionic Compounds

    Science.gov (United States)

    Logerwell, Mollianne G.; Sterling, Donna R.

    2007-01-01

    Ionic bonding is a fundamental topic in high school chemistry, yet it continues to be a concept that students struggle to understand. Even if they understand atomic structure and ion formation, it can be difficult for students to visualize how ions fit together to form compounds. This article describes several engaging activities that help…

  20. THE CORRELATION EFFECT ON THE CHAIN MOTION CONTRIBUTION TO IONIC TRANSPORT IN POLYMER ELECTROLYTES

    Institute of Scientific and Technical Information of China (English)

    XU Gu

    1994-01-01

    The ionic transport process in polymer electrolytes (such as polyethylene oxide) was simulated numerically on a two dimensional square lattice where charge carriers are accommodated by the lattice sites connected randomly with available bonds to represent the amorphous chain configuration. Following the dynamic bond percolation theory(DBPT),the chain motion contribution to the ionic conduction was incorporated via periodical renewal of the random bond configuration. To check and extend the prediction made by DBPT employing global abrupt bond renewal,spatial correlation of the bond reassignment was introduced to the system by:1)regional bond renewal and 2) organized bond motion. It is found that the difference between the diffusivities simulated involving regional bond renewal and those of DBPT becomes negligible when the bond renewal rate approaches the carrier hopping rate.

  1. Ionic Channels in Thunderclouds

    Science.gov (United States)

    Losseva, T. V.; Fomenko, A. S.; Nemtchinov, I. V.

    2007-12-01

    We proceed to study the formation and propagation of ionic channels in thunderclouds in the framework of the model of the corona discharge wave propagation (Fomenko A.S., Losseva T.V., Nemtchinov I.V. The corona discharge waves in thunderclouds and formation of ionic channels // 2004 Fall Meeting. EOS Trans. AGU. 2004. V. 85. ¹ 47. Suppl. Abstract AE23A-0835.). In this model we proposed a hypothesis that the structure of a thundercloud becomes nonuniform due to corona discharge on the drops and ice particles and formation of ionic channels with higher conductivity than the surrounding air. When the onset strength of corona discharge becomes smaller than the electric field strength the corona discharge increases concentrations of ions in a small part of the cloud (a hot spot). An additional charge at opposite ends of the hot spot forms due to polarization process. The increased electric field initiates corona discharge in other parts of the cloud on ice particles and water drops with smaller sizes. The corona discharge front moves as a wave with the velocity of the order of ion drift and formes a highly conductive channel. We model this non-stationary problem with Poisson equation which is solved simultaneously with a simplified set of kinetic equations for ions, small charged particles and electrons (at high electric fields), including ionization due to electronic impact, attachment and formation of positive ions. By applying 3D numerical simulations we obtain the parameters of formed ionic channels with respect to onset electric fields both from large particles (in hot spot) and from small particles (surrounding hot spot), microscopic currents from particles with different sizes and the external electric field in the cloud. The interaction of ionic channels is also investigated. This work was supported by Russian Foundation of Basic Research (Project No 07-05-00998-à).

  2. Ionic liquids in analytical chemistry.

    Science.gov (United States)

    Soukup-Hein, Renee J; Warnke, Molly M; Armstrong, Daniel W

    2009-01-01

    The role of ionic liquids (ILs) in analytical chemistry is increasing substantially every year. A decade ago there were but a handful of papers in this area of research that were considered curiosities at best. Today, those publications are recognized as seminal articles that gave rise to one of the most rapidly expanding areas of research in chemical analysis. In this review, we briefly highlight early work involving ILs and discuss the most recent advances in separations, mass spectrometry, spectroscopy, and electroanalytical chemistry. Many of the most important advances in these fields depend on the development of new, often unique ILs and multifunctional ILs. A better understanding of the chemical and physical properties of ILs is also essential.

  3. Infrared spectroscopy of ionic clusters

    Energy Technology Data Exchange (ETDEWEB)

    Price, J.M. (California Univ., Berkeley, CA (USA). Dept. of Chemistry Lawrence Berkeley Lab., CA (USA))

    1990-11-01

    This thesis describes new experiments wherein the infrared vibrational predissociation spectra of a number of mass-selected ionic cluster systems have been obtained and analyzed in the 2600 to 4000 cm{sup {minus}1} region. The species studied include: the hydrated hydronium ions, H{sub 3}O{sup +} (H{sub 2}O){sub 3 {minus}10}, ammoniated ammonium ions, NH{sub 4}{sup +}(NH{sub 3}){sub 1 {minus}10} and cluster ions involving both water and ammonia around an ammonium ion core, (mixed clusters) NH{sub 4}{sup +}(NH{sub 3}){sub n}(H{sub 2}O){sub m} (n+m=4). In each case, the spectra reveal well resolved structures that can be assigned to transitions arising from the vibrational motions of both the ion core of the clusters and the surrounding neutral solvent molecules. 154 refs., 19 figs., 8 tabs.

  4. Community-Involved Learning to Expand Possibilities for Vulnerable Children: A Critical Communicative, Sen's Capability, and Action Research Approach

    Science.gov (United States)

    Kim, Kyung Hi

    2014-01-01

    This research, based on a case study of vulnerable children in Korea, used a mixed methods transformative approach to explore strategies to support and help disadvantaged children. The methodological approach includes three phases: a mixed methods contextual analysis, a qualitative dominant analysis based on Sen's capability approach and critical…

  5. ARTICLES: Saturation Magnetization and Law of Approach to Saturation for Self-formed Ionic Ferrofluids Based on MnFe2O4 Nanoparticles

    Science.gov (United States)

    Lin, Yue-qiang; Li, Jian; Liu, Xiao-dong; Zhang, Ting-zhen; Wen, Bang-cai; Zhang, Qing-mei; Miao, Hua

    2010-06-01

    The magnetization curves of MnFe2O4 nanoparticles and self-formed ferrofluids based on these particles have been measured at room temperature. The median size of the particles is 13.67 nm. The specific saturation magnetization is less than the theoretical value for the ferrofluids. In the high field range from 5 kOe to 10 kOe, the higher the particle volume fraction is, the steeper the slope of the magnetization curves is when it approaches saturation. The behavior of the saturation magnetization and the law of approach to saturation are due to the presence of self-assembled aggregates of ring-like micelle structures which form in the absence of the magnetic field and field-induced aggregates, respectively. The field-induced aggregates have a dissipative structure, so that at high field, the law of approach to saturation magnetization is different from the one described using Langevin paramagnetism theory. The large particles in the ferrofluids result in apparent hysteresis.

  6. Nanoscale Ionic Materials

    KAUST Repository

    Rodriguez, Robert

    2008-11-18

    Polymer nanocomposites (nanoparticles dispersed in a polymer matrix) have been the subject of intense research for almost two decades in both academic and industrial settings. This interest has been fueled by the ability of nanocomposites to not only improve the performance of polymers, but also by their ability to introduce new properties. Yet, there are still challenges that polymer nanocomposites must overcome to reach their full potential. In this Research News article we discuss a new class of hybrids termed nanoparticle ionic materials (NIMS). NIMS are organic-inorganic hybrid materials comprising a nanoparticle core functionalized with a covalently tethered ionic corona. They are facilely engineered to display flow properties that span the range from glassy solids to free flowing liquids. These new systems have unique properties that can overcome some of the challenges facing nanocomosite materials. © 2008 WILEY-VCH Verlag GmbH & Co. KGaA.

  7. Radiation stability of cations in ionic liquids. 5. Task-specific ionic liquids consisting of biocompatible cations and the puzzle of radiation hypersensitivity.

    Science.gov (United States)

    Shkrob, Ilya A; Marin, Timothy W; Wishart, James F; Grills, David C

    2014-09-01

    In 1953, an accidental discovery by Melvin Calvin and co-workers provided the first example of a solid (the α-polymorph of choline chloride) showing hypersensitivity to ionizing radiation: under certain conditions, the radiolytic yield of decomposition approached 5 × 10(4) per 100 eV (which is 4 orders of magnitude greater than usual values), suggesting an uncommonly efficient radiation-induced chain reaction. Twenty years later, the still-accepted mechanism for this rare condition was suggested by Martyn Symons, but no validation for this mechanism has been supplied. Meanwhile, ionic liquids and deep eutectic mixtures that are based on choline, betainium, and other derivitized natural amino compounds are presently finding an increasing number of applications as diluents in nuclear separations, where the constituent ions are exposed to ionizing radiation that is emitted by decaying radionuclides. Thus, the systems that are compositionally similar to radiation hypersensitive solids are being considered for use in high radiation fields, where this property is particularly undesirable! In Part 5 of this series on organic cations, we revisit the phenomenon of radiation hypersensitivity and explore mechanistic aspects of radiation-induced reactions involving this class of task-specific, biocompatible, functionalized cations, both in ionic liquids and in reference crystalline compounds. We demonstrate that Symons' mechanism needs certain revisions and rethinking, and suggest its modification. Our reconsideration suggests that there cannot be conditions leading to hypersensitivity in ionic liquids.

  8. Course on Ionic Channels

    CERN Document Server

    1986-01-01

    This book is based on a series of lectures for a course on ionic channels held in Santiago, Chile, on November 17-20, 1984. It is intended as a tutorial guide on the properties, function, modulation, and reconstitution of ionic channels, and it should be accessible to graduate students taking their first steps in this field. In the presentation there has been a deliberate emphasis on the spe­ cific methodologies used toward the understanding of the workings and function of channels. Thus, in the first section, we learn to "read" single­ channel records: how to interpret them in the theoretical frame of kinetic models, which information can be extracted from gating currents in re­ lation to the closing and opening processes, and how ion transport through an open channel can be explained in terms of fluctuating energy barriers. The importance of assessing unequivocally the origin and purity of mem­ brane preparations and the use of membrane vesicles and optical tech­ niques in the stUGY of ionic channels a...

  9. Ionic Vapor Composition in Critical and Supercritical States of Strongly Interacting Ionic Compounds.

    Science.gov (United States)

    Chaban, Vitaly V; Prezhdo, Oleg V

    2016-05-12

    The critical point, CP (T, P), of the phase diagram quantifies the minimum amount of kinetic energy needed to prevent a substance from existing in a condensed phase. Therefore, the CP is closely related to the properties of the fluid far below the critical temperature. Approaches designed to predict thermophysical properties of a system necessarily aim to provide reliable estimates of the CP. Vice versa, CP estimation is impossible without knowledge of the vapor phase behavior. We report ab initio Born-Oppenheimer molecular dynamics (BOMD) simulations of sodium and potassium chlorides, NaCl and KCl, at and above their expected CPs. We advance the present knowledge regarding the existence of ionic species in the vapor phase by establishing significant percentages of atomic clusters: 29-30% in NaCl and 34-38% in KCl. A neutral pair of counterions is the most abundant cluster in the ionic vapors (ca. 35% of all vaporized ions exist in this form). Unexpectedly, an appreciable fraction of clusters is charged. The ionic vapor composition is determined by the vapor density, rather than the nature of the alkali ion. The previously suggested CPs of NaCl and KCl appear overestimated, based on the present simulations. The reported results offer essential insights into the ionic fluid properties and assist in development of thermodynamic theories. The ab initio BOMD method has been applied to investigate the vapor phase composition of an ionic fluid for the first time.

  10. Molecular Orbital Based Design Guidelines for Hypergolic Energetic Ionic Liquids

    Science.gov (United States)

    2015-01-01

    should be synthesized to further validate our probabilistic approach for identifying EIL hypergols. DMP is one anion that has a lower “energy gap”, but...orbitals (HOMO) of the anions for a series of ionic liquids and the lowest occupied molecular orbital (LUMO) of HNO3, and variation in the computed...relative heats of formation, DHf, of these anions to develop correlations to predict hypergol activity between an ionic liquid fuel and nitric acid as

  11. Ionic strength and intermolecular contacts in protein crystals

    Science.gov (United States)

    Iyer, Ganesh H.; Dasgupta, Swagata; Bell, Jeffrey A.

    2000-08-01

    The ionic strengths of crystallization solutions for 206 proteins were observed to form a bimodal distribution. The data was divided into two sets at an ionic strength of 4.4 M, and knowledge-based potentials were calculated to determine contact preferences at intermolecular crystal interfaces. Consistent with previous observations over all ionic strengths, intermolecular crystal contacts tend to exclude nonpolar amino acids; lysine is the least favored polar amino acid at crystal contacts; and arginine and glutamine are the two most favored amino acid at crystal contacts. However, some aspects of intermolecular contact preferences within protein crystals are significantly dependent on ionic strength. Arginine is the most favored residue at low ionic strength, but it takes second place to glutamine at high ionic strength. Other major ionic strength-dependent differences in protein crystal contacts can be explained by the binding of cations or anions. While others have shown the importance of ion binding experimentally in selected protein crystals, these statistical results indicate that intermolecular interface formation must involve ion-mediated contacts in a large number of protein crystals.

  12. A Blended Learning Approach to Teaching Project Management: A Model for Active Participation and Involvement--Insights from Norway

    Science.gov (United States)

    Hussein, Bassam A.

    2015-01-01

    The paper demonstrates and evaluates the effectiveness of a blended learning approach to create a meaningful learning environment. We use the term blended learning approach in this paper to refer to the use of multiple or hybrid instructional methods that emphasize the role of learners as contributors to the learning process rather than recipients…

  13. Graphene-ionic liquid composites

    Science.gov (United States)

    Aksay, Ilhan A.; Korkut, Sibel; Pope, Michael; Punckt, Christian

    2016-11-01

    Method of making a graphene-ionic liquid composite. The composite can be used to make elec-trodes for energy storage devices, such as batteries and supercapacitors. Dis-closed and claimed herein is method of making a graphene-ionic liquid com-posite, comprising combining a graphene source with at least one ionic liquid and heating the combination at a temperature of at least about 130 .degree. C.

  14. Electrochemical aspects of ionic liquids

    CERN Document Server

    Ohno, Hiroyuki

    2011-01-01

    The second edition is based on the original book, which has been revised, updated and expanded in order to cover the latest information on this rapidly growing field. The book begins with a description of general and electrochemical properties of ionic liquids and continues with a discussion of applications in biochemistry, ionic devices, functional design and polymeric ionic liquids. The new edition includes new chapters on Li ion Batteries and Actuators, as well as a revision of existing chapters to include a discussion on purification and the effects of impurities, adsorption of ionic liqui

  15. Life Support Catalyst Regeneration Using Ionic Liquids and In Situ Resources

    Science.gov (United States)

    Abney, Morgan B.; Karr, Laurel; Paley, Mark S.; Donovan, David N.

    2016-01-01

    Oxygen recovery from metabolic carbon dioxide is an enabling capability for long-duration manned space flight. Complete recovery of oxygen (100%) involves the production of solid carbon. Catalytic approaches for this purpose, such as Bosch technology, have been limited in trade analyses due in part to the mass penalty for high catalyst resupply caused by carbon fouling of the iron or nickel catalyst. In an effort to mitigate this challenge, several technology approaches have been proposed. These approaches have included methods to prolong the life of the catalysts by increasing the total carbon mass loading per mass catalyst, methods for simplified catalyst introduction and removal to limit the resupply container mass, methods of using in situ resources, and methods to regenerate catalyst material. Research and development into these methods is ongoing, but only use of in situ resources and/or complete regeneration of catalyst material has the potential to entirely eliminate the need for resupply. The use of ionic liquids provides an opportunity to combine these methods in a technology approach designed to eliminate the need for resupply of oxygen recovery catalyst. Here we describe the results of an initial feasibility study using ionic liquids and in situ resources for life support catalyst regeneration, we discuss the key challenges with the approach, and we propose future efforts to advance the technology.

  16. [Systemic approach to ecologic safety at objects with radiation jeopardy, involved into localization of low and medium radioactive waste].

    Science.gov (United States)

    Veselov, E I

    2011-01-01

    The article deals with specifying systemic approach to ecologic safety of objects with radiation jeopardy. The authors presented stages of work and algorithm of decisions on preserving reliability of storage for radiation jeopardy waste. Findings are that providing ecologic safety can cover 3 approaches: complete exemption of radiation jeopardy waste, removal of more dangerous waste from present buildings and increasing reliability of prolonged localization of radiation jeopardy waste at the initial place. The systemic approach presented could be realized at various radiation jeopardy objects.

  17. Ionic and Molecular Liquids

    DEFF Research Database (Denmark)

    Chaban, Vitaly V.; Prezhdo, Oleg

    2013-01-01

    Because of their outstanding versatility, room-temperature ionic liquids (RTILs) are utilized in an ever increasing number of novel and fascinating applications, making them the Holy Grail of modern materials science. In this Perspective, we address the fundamental research and prospective...... applications of RTILs in combination with molecular liquids, concentrating on three significant areas: (1) the use of molecular liquids to decrease the viscosity of RTILs; (2) the role of RTIL micelle formation in water and organic solvents; and (3) the ability of RTILs to adsorb pollutant gases. Current...

  18. Ionic liquids, electrolyte solutions including the ionic liquids, and energy storage devices including the ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Gering, Kevin L.; Harrup, Mason K.; Rollins, Harry W.

    2015-12-08

    An ionic liquid including a phosphazene compound that has a plurality of phosphorus-nitrogen units and at least one pendant group bonded to each phosphorus atom of the plurality of phosphorus-nitrogen units. One pendant group of the at least one pendant group comprises a positively charged pendant group. Additional embodiments of ionic liquids are disclosed, as are electrolyte solutions and energy storage devices including the embodiments of the ionic liquid.

  19. Predictive model for ionic liquid extraction solvents for rare earth elements

    Science.gov (United States)

    Grabda, Mariusz; Oleszek, Sylwia; Panigrahi, Mrutyunjay; Kozak, Dmytro; Eckert, Franck; Shibata, Etsuro; Nakamura, Takashi

    2015-12-01

    The purpose of our study was to select the most effective ionic liquid extraction solvents for dysprosium (III) fluoride using a theoretical approach. Conductor-like Screening Model for Real Solvents (COSMO-RS), based on quantum chemistry and the statistical thermodynamics of predefined DyF3-ionic liquid systems, was applied to reach the target. Chemical potentials of the salt were predicted in 4,400 different ionic liquids. On the base of these predictions set of ionic liquids' ions, manifesting significant decrease of the chemical potentials, were selected. Considering the calculated physicochemical properties (hydrophobicity, viscosity) of the ionic liquids containing these specific ions, the most effective extraction solvents for liquid-liquid extraction of DyF3 were proposed. The obtained results indicate that the COSMO-RS approach can be applied to quickly screen the affinity of any rare earth element for a large number of ionic liquid systems, before extensive experimental tests.

  20. Predictive model for ionic liquid extraction solvents for rare earth elements

    Energy Technology Data Exchange (ETDEWEB)

    Grabda, Mariusz; Oleszek, Sylwia [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2,1-Katahira, 2-Chome, 980-8577 Sendai (Japan); Institute of Environmental Engineering of the Polish Academy of Sciences, ul. M. Sklodowskiej-Curie 34, 41-819, Zabrze (Poland); Panigrahi, Mrutyunjay; Kozak, Dmytro; Shibata, Etsuro; Nakamura, Takashi [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2,1-Katahira, 2-Chome, 980-8577 Sendai (Japan); Eckert, Franck [COSMOlogic GmbH & Co KG, Imbacher Weg 46, 50379 Leverkusen (Germany)

    2015-12-31

    The purpose of our study was to select the most effective ionic liquid extraction solvents for dysprosium (III) fluoride using a theoretical approach. Conductor-like Screening Model for Real Solvents (COSMO-RS), based on quantum chemistry and the statistical thermodynamics of predefined DyF{sub 3}-ionic liquid systems, was applied to reach the target. Chemical potentials of the salt were predicted in 4,400 different ionic liquids. On the base of these predictions set of ionic liquids’ ions, manifesting significant decrease of the chemical potentials, were selected. Considering the calculated physicochemical properties (hydrophobicity, viscosity) of the ionic liquids containing these specific ions, the most effective extraction solvents for liquid-liquid extraction of DyF{sub 3} were proposed. The obtained results indicate that the COSMO-RS approach can be applied to quickly screen the affinity of any rare earth element for a large number of ionic liquid systems, before extensive experimental tests.

  1. Cardiac involvement in patients with Becker muscular dystrophy: new diagnostic and pathophysiological insights by a CMR approach

    Directory of Open Access Journals (Sweden)

    Thiene Gaetano

    2008-11-01

    Full Text Available Abstract Background Becker-Kiener muscular dystrophy (BMD represents an X-linked genetic disease associated with myocardial involvement potentially resulting in dilated cardiomyopathy (DCM. Early diagnosis of cardiac involvement may permit earlier institution of heart failure treatment and extend life span in these patients. Both echocardiography and nuclear imaging methods are capable of detecting later stages of cardiac involvement characterised by wall motion abnormalities. Cardiovascular magnetic resonance (CMR has the potential to detect cardiac involvement by depicting early scar formation that may appear before onset of wall motion abnormalities. Methods In a prospective two-center-study, 15 male patients with BMD (median age 37 years; range 11 years to 56 years underwent comprehensive neurological and cardiac evaluations including physical examination, echocardiography and CMR. A 16-segment model was applied for evaluation of regional wall motion abnormalities (rWMA. The CMR study included late gadolinium enhancement (LGE imaging with quantification of myocardial damage. Results Abnormal echocardiographic results were found in eight of 15 (53.3% patients with all of them demonstrating reduced left ventricular ejection fraction (LVEF and rWMA. CMR revealed abnormal findings in 12 of 15 (80.0% patients (p = 0.04 with 10 (66.6% having reduced LVEF (p = 0.16 and 9 (64.3% demonstrating rWMA (p = 0.38. Myocardial damage as assessed by LGE-imaging was detected in 11 of 15 (73.3% patients with a median myocardial damage extent of 13.0% (range 0 to 38.0%, an age-related increase and a typical subepicardial distribution pattern in the inferolateral wall. Ten patients (66.7% were in need of medical heart failure therapy based on CMR results. However, only 4 patients (26.7% were already taking medication based on clinical criteria (p = 0.009. Conclusion Cardiac involvement in patients with BMD is underdiagnosed by echocardiographic methods resulting

  2. Ternary mixtures of ionic liquids for better salt solubility, conductivity and cation transference number improvement

    Science.gov (United States)

    Karpierz, E.; Niedzicki, L.; Trzeciak, T.; Zawadzki, M.; Dranka, M.; Zachara, J.; Żukowska, G. Z.; Bitner-Michalska, A.; Wieczorek, W.

    2016-01-01

    We hereby present the new class of ionic liquid systems in which lithium salt is introduced into the solution as a lithium cation−glyme solvate. This modification leads to the reorganisation of solution structure, which entails release of free mobile lithium cation solvate and hence leads to the significant enhancement of ionic conductivity and lithium cation transference numbers. This new approach in composing electrolytes also enables even three-fold increase of salt concentration in ionic liquids. PMID:27767069

  3. Ternary mixtures of ionic liquids for better salt solubility, conductivity and cation transference number improvement

    Science.gov (United States)

    Karpierz, E.; Niedzicki, L.; Trzeciak, T.; Zawadzki, M.; Dranka, M.; Zachara, J.; Żukowska, G. Z.; Bitner-Michalska, A.; Wieczorek, W.

    2016-10-01

    We hereby present the new class of ionic liquid systems in which lithium salt is introduced into the solution as a lithium cation-glyme solvate. This modification leads to the reorganisation of solution structure, which entails release of free mobile lithium cation solvate and hence leads to the significant enhancement of ionic conductivity and lithium cation transference numbers. This new approach in composing electrolytes also enables even three-fold increase of salt concentration in ionic liquids.

  4. A Self-Instructional Approach To the Teaching of Enzymology Involving Computer-Based Sequence Analysis and Molecular Modelling.

    Science.gov (United States)

    Attwood, Paul V.

    1997-01-01

    Describes a self-instructional assignment approach to the teaching of advanced enzymology. Presents an assignment that offers a means of teaching enzymology to students that exposes them to modern computer-based techniques of analyzing protein structure and relates structure to enzyme function. (JRH)

  5. Identification of lipases involved in PBAN stimulated pheromone production in Bombyx mori using the DGE and RNAi approaches.

    Directory of Open Access Journals (Sweden)

    Mengfang Du

    Full Text Available BACKGROUND: Pheromone biosynthesis activating neuropeptide (PBAN is a neurohormone that regulates sex pheromone synthesis in female moths. Bombyx mori is a model organism that has been used to explore the signal transduction pattern of PBAN, which is mediated by a G-protein coupled receptor (GPCR. Although significant progress has been made in elucidating PBAN-regulated lipolysis that releases the precursor of the sex pheromone, little is known about the molecular components involved in this step. To better elucidate the molecular mechanisms of PBAN-stimulated lipolysis of cytoplasmic lipid droplets (LDs, the associated lipase genes involved in PBAN- regulated sex pheromone biosynthesis were identified using digital gene expression (DGE and subsequent RNA interference (RNAi. RESULTS: Three DGE libraries were constructed from pheromone glands (PGs at different developed stages, namely, 72 hours before eclosion (-72 h, new emergence (0 h and 72 h after eclosion (72 h, to investigate the gene expression profiles during PG development. The DGE evaluated over 5.6 million clean tags in each PG sample and revealed numerous genes that were differentially expressed at these stages. Most importantly, seven lipases were found to be richly expressed during the key stage of sex pheromone synthesis and release (new emergence. RNAi-mediated knockdown confirmed for the first time that four of these seven lipases play important roles in sex pheromone synthesis. CONCLUSION: This study has identified four lipases directly involved in PBAN-stimulated sex pheromone biosynthesis, which improve our understanding of the lipases involved in releasing bombykol precursors from triacylglycerols (TAGs within the cytoplasmic LDs.

  6. Ionic Liquids and New Proton Exchange Membranes for Fuel Cells

    Science.gov (United States)

    Belieres, Jean-Philippe

    2004-01-01

    There is currently a great surge of activity in fuel cell research as laboratories across the world seek to take advantage of the high energy capacity provided by &el cells relative to those of other portable electrochemical power systems. Much of this activity is aimed at high temperature fie1 cells, and a vital component of such &el cells must be the availability of a high temperature stable proton-permeable membrane. NASA Glenn Research Center is greatly involved in developing this technology. Other approaches to the high temperature fuel cell involve the use of single- component or almost-single-component electrolytes that provide a path for protons through the cell. A heavily researched case is the phosphoric acid fuel cell, in which the electrolyte is almost pure phosphoric acid and the cathode reaction produces water directly. The phosphoric acid fie1 cell delivers an open circuit voltage of 0.9 V falling to about 0.7 V under operating conditions at 170 C. The proton transport mechanism is mainly vehicular in character according to the viscosity/conductance relation. Here we describe some Proton Transfer Ionic Liquids (PTILs) with low vapor pressure and high temperature stability that have conductivities of unprecedented magnitude for non-aqueous systems. The first requirement of an ionic liquid is that, contrary to experience with most liquids consisting of ions, it must have a melting point that is not much above room temperature. The limit commonly suggested is 100 C. PTILs constitute an interesting class of non-corrosive proton-exchange electrolyte, which can serve well in high temperature (T = 100 - 250 C) fuel cell applications. We will present cell performance data showing that the open circuit voltage output, and the performance of a simple H2(g)Pt/PTIL/Pt/O2(g) fuel cell may be superior to those of the equivalent phosphoric acid electrolyte fuel cell both at ambient temperature and temperatures up to and above 200 C. My work at NASA Glenn Research

  7. Ionic Vapor Composition in Pyridinium-Based Ionic Liquids.

    Science.gov (United States)

    Chaban, Vitaly V; Prezhdo, Oleg V

    2016-05-26

    Strong electrostatic interactions in ionic compounds make vaporization a complex process. The gas phase can contain a broad range of ionic clusters, and the cluster composition can differ greatly from that in the liquid phase. Room-temperature ionic liquids (RTILs) constitute a complicated case due to their ionic nature, asymmetric structure, and a huge versatility of ions and ionic clusters. This work reports vapor-liquid equilibria and vapor compositions of butylpyridinium (BPY) RTILs formed with hexafluorophosphate (PF6), trifluoromethanesulfonate (TF), and bis(trifluoromethanesulfonyl)imide (TFSI) anions. Unlike inorganic crystals, the pyridinium-based RTILs contain significant percentages of charged clusters in the vapor phase. Ion triplets and ion quadruplets each constitute up to 10% of the vapor phase composition. Triples prevail over quadruples in [BPY][PF6] due to the size difference of the cation and the anion. The percentage of charged ionic clusters in the gas phase is in inverse proportion to the mass of the anion. The largest identified vaporized ionic cluster comprises eight ions, with a formation probability below 1%. Higher temperature fosters formation of larger clusters due to an increase of the saturated vapor density.

  8. A Comparison of Density Functional Theory with Ab initio Approaches for Systems Involving First Transition Row Metals

    Science.gov (United States)

    Ricca, Alessandra; Bauschlicher, Charles W.; Langhoff, Stephen R. (Technical Monitor)

    1994-01-01

    Density functional theory (DFT) is found to give a better description of the geometries and vibrational frequencies of FeL and FeL(sup +) systems than second order Moller Plesset perturbation theory (MP2). Namely, the DFT correctly predicts the shift in the CO vibrational frequency between free CO and the Sigma(sup -) state of FeCO and yields a good result for the Fe-C distance in the quartet states of FeCH4(+) 4 These are properties where the MP2 results are unsatisfactory. Thus DFT appears to be an excellent approach for optimizing the geometries and computing the zero-point energies of systems containing first transition row atoms. Because the DFT approach is biased in favor of the 3d(exp 7) occupation, whereas the more traditional approaches are biased in favor of the 3d(exp 6) occupation, differences are found in the relative ordering of states. It is shown that if the dissociation is computed to the most appropriate atomic asymptote and corrected to the ground state asymptote using the experimental separations, the DFT results are in good agreement with high levels of theory. The energetics at the DFT level are much superior to the MP2 and in most cases in good agreement with high levels of theory.

  9. Light-activated ionic gelation of common biopolymers.

    Science.gov (United States)

    Javvaji, Vishal; Baradwaj, Aditya G; Payne, Gregory F; Raghavan, Srinivasa R

    2011-10-18

    Biopolymers such as alginate and pectin are well known for their ability to undergo gelation upon addition of multivalent cations such as calcium (Ca(2+)). Here, we report a simple way to activate such ionic gelation by UV irradiation. Our approach involves combining an insoluble salt of the cation (e.g., calcium carbonate, CaCO(3)) with an aqueous solution of the polymer (e.g., alginate) along with a third component, a photoacid generator (PAG). Upon UV irradiation, the PAG dissociates to release H(+) ions, which react with the CaCO(3) to generate free Ca(2+). In turn, the Ca(2+) ions cross-link the alginate chains into a physical network, thereby resulting in a hydrogel. Dynamic rheological experiments confirm the elastic character of the alginate gel, and the gel modulus is shown to be tunable via the irradiation time as well as the PAG and alginate concentrations. The above approach is easily extended to other biopolymers such as pectin. Using this approach, a photoresponse can be imparted to conventional biopolymers without the need for any chemical modification of the molecules. Photoresponsive alginate gels may be useful in creating biomaterials or tissue mimics. As a step toward potential applications, we demonstrate the ability to photopattern a thin film of alginate gel onto a glass substrate under mild conditions.

  10. Simultaneous Design of Ionic Liquids and Azeotropic Separation for Systems Containing Water

    DEFF Research Database (Denmark)

    Roughton, Brock; Camarda, Kyle V.; Gani, Rafiqul

    to check for consistency. The ionic liquid UNIFAC model was developed for a selected set of ionic liquid cations and anions. Group volume and area parameters were calculated using a three step procedure. First, the rules of Bondi were used for any applicable molecular groups within the cation or anion...... decomposition temperature. For any new synthesis-design problem involving aqueous azeotropes, all it now requires is to find the azeotropic composition of water and based on it, to identify an appropriate ionic liquid. Then the driving force is calculated for the azeotrope ionic liquid and based on it...

  11. IONIC LIQUIDS MATERIAL AS MODERN CONTEXT OF CHEMISTRY IN SCHOOL

    Directory of Open Access Journals (Sweden)

    Hernani Hernani

    2016-04-01

    Full Text Available One way to improve students’ chemistry literacy which is demanded in the modernization of modern technology-based chemistry learning is by studying ionic liquids. Low level of scientific literacy of students in Indonesia as revealed in the PISA in 2012 was the main reason of the research. Ionic liquids-based technology are necessary to be applied as a context for learning chemistry because: (1 the attention of the scientific an technology community in the use of ionic liquids as a new generation of green solvent, electrolyte material and fluidic engineering in recent years becomes larger, in line with the strong demands of the industry for the provision of new materials that are reliable, safe, and friendly for various purposes; (2 scientific explanations related to the context of the ionic liquid contains a lot of facts, concepts, principles, laws, models and theories can be used to reinforce the learning content as a media to develop thinking skill (process/competence as demanded by PISA; (3 The modern technology-based ionic liquid can also be used as a discourse to strengthen scientific attitude. The process of synthesis of ionic liquid involves fairly simple organic reagents, so it deserves to be included in the chemistry subject in school.

  12. Joint Involvement in Primary Sjögren’s Syndrome: An Ultrasound “Target Area Approach to Arthritis”

    Directory of Open Access Journals (Sweden)

    Luis M. Amezcua-Guerra

    2013-01-01

    Full Text Available Objective. To characterize the ultrasound (US pattern of joint involvement in primary Sjögren’s syndrome (pSS. Methods. Seventeen patients with pSS, 18 with secondary Sjögren’s syndrome (sSS, and 17 healthy controls underwent US examinations of various articular regions. Synovitis (synovial hypertrophy/joint effusion, power Doppler (PD signals, and erosions were assessed. Results. In patients with pSS, synovitis was found in the metacarpophalangeal joints (MCP, 76%, wrists (76%, and knees (76%, while the proximal interphalangeal joints, elbows, and ankles were mostly unscathed. Intra-articular PD signals were occasionally detected in wrists (12%, elbows (6%, and knees (6%. Erosions were evident in the wrists of three (18% patients with pSS, one of these also having anti-cyclic citrullinated peptide (anti-CCP antibodies. While US synovitis does not discriminate between sSS and pSS, demonstration of bone erosions in the 2nd MCP joints showed 28.8% sensitivity and 100% specificity for diagnosing sSS; in comparison, these figures were 72.2 and 94.1% for circulating anti-CCP antibodies. Conclusions. In pSS, the pattern of joint involvement by US is polyarticular, bilateral, and symmetrical. Synovitis is the US sign most commonly found in patients with pSS, especially in MCP joints, wrists, and knees, and bone erosions also may occur.

  13. Joint Involvement in Primary Sjögren's Syndrome: An Ultrasound “Target Area Approach to Arthritis”

    Science.gov (United States)

    Amezcua-Guerra, Luis M.; Vargas, Angelica; Rodriguez-Henriquez, Pedro; Solano, Carla; Hernández-Díaz, Cristina; Castillo-Martinez, Diana; Ventura-Ríos, Lucio; Gutiérrez, Marwin; Pineda, Carlos

    2013-01-01

    Objective. To characterize the ultrasound (US) pattern of joint involvement in primary Sjögren's syndrome (pSS). Methods. Seventeen patients with pSS, 18 with secondary Sjögren's syndrome (sSS), and 17 healthy controls underwent US examinations of various articular regions. Synovitis (synovial hypertrophy/joint effusion), power Doppler (PD) signals, and erosions were assessed. Results. In patients with pSS, synovitis was found in the metacarpophalangeal joints (MCP, 76%), wrists (76%), and knees (76%), while the proximal interphalangeal joints, elbows, and ankles were mostly unscathed. Intra-articular PD signals were occasionally detected in wrists (12%), elbows (6%), and knees (6%). Erosions were evident in the wrists of three (18%) patients with pSS, one of these also having anti-cyclic citrullinated peptide (anti-CCP) antibodies. While US synovitis does not discriminate between sSS and pSS, demonstration of bone erosions in the 2nd MCP joints showed 28.8% sensitivity and 100% specificity for diagnosing sSS; in comparison, these figures were 72.2 and 94.1% for circulating anti-CCP antibodies. Conclusions. In pSS, the pattern of joint involvement by US is polyarticular, bilateral, and symmetrical. Synovitis is the US sign most commonly found in patients with pSS, especially in MCP joints, wrists, and knees, and bone erosions also may occur. PMID:23936829

  14. A proteomic approach for the involvement of the GAPDH in Alzheimer disease in the blood of Moroccan FAD cases.

    Science.gov (United States)

    El Kadmiri, Nadia; Cuardos, Raquel; El Moutawakil, Bouchra; Slassi, Ilham; Avila, Jesus; Nadifi, Sellama; Hachem, Ahmed; Soukri, Abdelaziz

    2014-12-01

    Several articles have highlighted the potential involvement of glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in neurodegeneration by showing a non-glycolytic activity of GAPDH specifically in the brains of subjects with Alzheimer's disease (AD). The novel aim of this study was to elucidate the critical role of GAPDH and its interaction with β-amyloid in the blood of Moroccan patients with familial AD (FAD) carrying presenilin mutations and in sporadic late onset AD (LOAD). Our results show a significant decrease in the activity of GAPDH in blood samples from patients with FAD as compared to sporadic cases and healthy controls. The expression level of GAPDH in brain specimens from mutant tau transgenic mice and patients with FAD was unchanged as compared to healthy controls. In contrast, the expression level of GAPDH in blood samples from mutant tau transgenic mice and patients with FAD was decreased as compared to sporadic cases and healthy controls. Moreover, there is an accumulation of β-amyloid aggregates in the blood samples of patients with FAD and an increase in amyloid fibrils in both the blood and brain samples of these patients. Our study adds new insight to previous ones by showing the involvement of GAPDH in AD, which may influence the pathogenesis of this neurodegenerative disease.

  15. Wettability by Ionic Liquids.

    Science.gov (United States)

    Liu, Hongliang; Jiang, Lei

    2016-01-06

    Ionic liquids (ILs) have become particularly attractive recently because they have demonstrated themselves to be important construction units in the broad fields of chemistry and materials science, from catalysis and synthesis to analysis and electrochemistry, from functional fluids to clean energy, from nanotechnology to functional materials. One of the greatest issues that determines the performance of ILs is the wettability of correlated surfaces. In this concept article, the key developments and issues in IL wettability are surveyed, including the electrowetting of ILs in gas-liquid-solid systems and liquid-liquid-solid systems, ILs as useful probe fluids, the superwettability of Ils, and future directions in IL wettability. This should generate extensive interest in the field and encourage more scientists to engage in this area to tackle its scientific challenges.

  16. Hg⁰ removal from flue gas by ionic liquid/H₂O₂.

    Science.gov (United States)

    Cheng, Guangwen; Bai, Bofeng; Zhang, Qiang; Cai, Ming

    2014-09-15

    1-Alkyl-3-methylimidazolium chloride ionic liquids ([Cnmim] Cl, n=4, 6, 8) were prepared. The ionic liquid was then mixed with hydrogen peroxide (H2O2) to form an absorbent. The Hg(0) removal performance of the absorbent was investigated in a gas/liquid scrubber using simulated flue gas. It was found that the ionic liquid/H2O2 mixture was an excellent absorbent and could be used to remove Hg(0) from flue gas. When the mass ratio of H2O2 to ionic liquid was 0.5, the absorbent showed high Hg(0) removal efficiency (up to 98%). The Hg(0) removal efficiency usually increased with the absorption temperature, while decreased with the increase of alkyl chain length in ionic liquid molecule. The Hg(0) removal mechanism involved with Hg(0) oxidation by H2O2 and Hg(2+) transfer from aqueous phase to ionic liquid phase.

  17. Phytoremediation of Ionic and Methyl Mercury Pollution

    Energy Technology Data Exchange (ETDEWEB)

    Meagher, Richard B.

    2005-06-01

    Phytoremediation is defined as the use of plants to extract, resist, detoxify, and/or sequester toxic environmental pollutants. The long-term goal of the proposed research is to develop and test highly productive, field-adapted plant species that have been engineered for the phytoremediation of mercury. A variety of different genes, which should enable plants to clean mercury polluted sites are being tested as tools for mercury phytoremediation, first in model laboratory plants and then in potential field species. Several of these genes have already been shown to enhance mercury phytoremediation. Mercury pollution is a serious, world-wide problem affecting the health of human and wildlife populations. Environmentally, the most serious mercury threat is the production of methylmercury (CH3Hg+) by native bacteria at mercury contaminated wetland sites. Methylmercury is inherently more toxic than metallic (Hg(0)) or ionic (Hg(II)) mercury, and because methylmercury is prolifically biomagnified up the food chain, it poses the most immediate danger to animal populations. We have successfully engineered two model plants, Arabidopsis and tobacco, to use the bacterial merB gene to convert methylmercury to less toxic ionic mercury and to use the bacterial merA gene to further detoxify ionic mercury to the least toxic form of mercury, metallic mercury. Plants expressing both MerA and MerB proteins detoxify methylmercury in two steps to the metallic form. These plants germinate, grow, and set seed at normal growth rates on levels of methylmercury or ionic mercury that are lethal to normal plants. Our newest efforts involve engineering plants with several additional bacterial and plant genes that allow for higher levels of mercury resistance and mercury hyperaccumulation. The potential for these plants to hyperaccumulate mercury was further advanced by developing constitutive, aboveground, and root-specific gene expression systems. Our current strategy is to engineer plants to

  18. Phytoremediation of Ionic and Methyl Mercury Pollution

    Energy Technology Data Exchange (ETDEWEB)

    Meagher, Richard B.

    2004-12-01

    Phytoremediation is defined as the use of plants to extract, resist, detoxify, and/or sequester toxic environmental pollutants. The long-term goal of the proposed research is to develop and test highly productive, field-adapted plant species that have been engineered for the phytoremediation of mercury. A variety of different genes, which should enable plants to clean mercury polluted sites are being tested as tools for mercury phytoremediation, first in model laboratory plants and then in potential field species. Several of these genes have already been shown to enhance mercury phytoremediation. Mercury pollution is a serious, world-wide problem affecting the health of human and wildlife populations. Environmentally, the most serious mercury threat is the production of methylmercury (CH3Hg+) by native bacteria at mercury contaminated wetland sites. Methylmercury is inherently more toxic than metallic (Hg(0)) or ionic (Hg(II)) mercury, and because methylmercury is prolifically biomagnified up the food chain, it poses the most immediate danger to animal populations. We have successfully engineered two model plants, Arabidopsis and tobacco, to use the bacterial merB gene to convert methylmercury to less toxic ionic mercury and to use the bacterial merA gene to further detoxify ionic mercury to the least toxic form of mercury, metallic mercury. Plants expressing both MerA and MerB proteins detoxify methylmercury in two steps to the metallic form. These plants germinate, grow, and set seed at normal growth rates on levels of methylmercury or ionic mercury that are lethal to normal plants. Our newest efforts involve engineering plants with several additional bacterial and plant genes that allow for higher levels of mercury resistance and mercury hyperaccumulation. The potential for these plants to hyperaccumulate mercury was further advanced by developing constitutive, aboveground, and root-specific gene expression systems.

  19. Standard systems for measurement of pKs and ionic mobilities. 1. Univalent weak acids.

    Science.gov (United States)

    Slampová, Andrea; Krivánková, Ludmila; Gebauer, Petr; Bocek, Petr

    2008-12-05

    Determination of pK values of weak bases and acids by CZE has already attracted big attention in current practice and proved to offer the advantage of being applicable for mixtures of analytes. The method is based on the measurement of mobility curves plotting the effective mobility vs. the pH of the background electrolyte, and following computer-assisted regression involving corrections for ionic strength and temperature. To cover the necessary range of pH for a given case, both buffering weak acids and bases are used in one set of measurements, which requires implementing computations of individual ionic strength corrections for each pH value. It is also well known that some components of frequently used background electrolytes may interact with the analytes measured, on forming associates or complexes. This obviously deteriorates the reliability of the resulting data. This contribution brings a rational approach to this problem and establishes a standard system of anionic buffers for measurements of pKs and mobilities of weak acids, where the only counter cation present (besides H(+)) is Na(+). In this way, the risk of formation of complexes or associates of analytes with counter ions is strongly reduced. Moreover, the standard system of anionic buffers is selected in such a way that it provides, for an entire set of measurements, constant and accurately known ionic strength and the operational conditions are selected so that they provide constant Joule heating. Due to these precautions only one correction for ionic strength and temperature is needed for the obtained set of experimental data. This considerably facilitates their evaluation and regression analysis as the corrections need not be implemented in the computation software. The reliability and the advantages of the proposed system are well documented by experiments, where the known problematic group of phenol derivatives was measured with high accuracy and without any notice of anomalous behaviour.

  20. An integral transform approach for a mixed boundary problem involving a flowing partially penetrating well with infinitesimal well skin

    Science.gov (United States)

    Chang, Chien-Chieh; Chen, Chia-Shyun

    2002-06-01

    A flowing partially penetrating well with infinitesimal well skin is a mixed boundary because a Cauchy condition is prescribed along the screen length and a Neumann condition of no flux is stipulated over the remaining unscreened part. An analytical approach based on the integral transform technique is developed to determine the Laplace domain solution for such a mixed boundary problem in a confined aquifer of finite thickness. First, the mixed boundary is changed into a homogeneous Neumann boundary by substituting the Cauchy condition with a Neumann condition in terms of well bore flux that varies along the screen length and is time dependent. Despite the well bore flux being unknown a priori, the modified model containing this homogeneous Neumann boundary can be solved with the Laplace and the finite Fourier cosine transforms. To determine well bore flux, screen length is discretized into a finite number of segments, to which the Cauchy condition is reinstated. This reinstatement also restores the relation between the original model and the solutions obtained. For a given time, the numerical inversion of the Laplace domain solution yields the drawdown distributions, well bore flux, and the well discharge. This analytical approach provides an alternative for dealing with the mixed boundary problems, especially when aquifer thickness is assumed to be finite.

  1. Identification of microRNAs Involved in the Host Response to Enterovirus 71 Infection by a Deep Sequencing Approach

    Directory of Open Access Journals (Sweden)

    Lunbiao Cui

    2010-01-01

    Full Text Available Role of microRNA (miRNA has been highlighted in pathogen-host interactions recently. To identify cellular miRNAs involved in the host response to enterovirus 71 (EV71 infection, we performed a comprehensive miRNA profiling in EV71-infected Hep2 cells through deep sequencing. 64 miRNAs were found whose expression levels changed for more than 2-fold in response to EV71 infection. Gene ontology analysis revealed that many of these mRNAs play roles in neurological process, immune response, and cell death pathways, which are known to be associated with the extreme virulence of EV71. To our knowledge, this is the first study on host miRNAs expression alteration response to EV71 infection. Our findings supported the hypothesis that certain miRNAs might be essential in the host-pathogen interactions.

  2. Mixed method approaches in open-ended, qualitative, exploratory research involving people with intellectual disabilities: a comparative methods study.

    Science.gov (United States)

    Ottmann, Goetz; Crosbie, Jenny

    2013-09-01

    People with intellectual disabilities and their families are increasingly being asked to provide input into the services they receive. Under the aegis of the United Nation Convention of the Rights of Persons with Disabilities, support plans crucially depend on a participant's articulation of his or her preferences and life goals. Yet, research highlighting the strengths and weaknesses of different methodological approaches has not been published. This study compared the results of a suite of qualitative methods (questionnaire, focus group, semi-structured interview, "case in point" ethnographic observation, photographic images, and carer proxy response) by identifying the advantages and disadvantages of each method employed. It also foregrounds an effective mix of methods that is likely to produce an adequate representation of the views of people with disabilities within the context of open-ended exploratory questions.

  3. Potential involvement of chemicals in liver cancer progression: an alternative toxicological approach combining biomarkers and innovative technologies.

    Science.gov (United States)

    Peyre, Ludovic; Zucchini-Pascal, Nathalie; de Sousa, Georges; Luzy, Anne-Pascale; Rahmani, Roger

    2014-12-01

    Pesticides as well as many other environmental pollutants are considered as risk factors for the initiation and the progression of cancer. In order to evaluate the in vitro effects of chemicals present in the diet, we began by combining viability, real-time cellular impedance and high throughput screening data to identify a concentration "zone of interest" for the six xenobiotics selected: endosulfan, dioxin, carbaryl, carbendazim, p'p'DDE and hydroquinone. We identified a single concentration of each pollutant allowing a modulation of the impedance in the absence of vital changes (nuclear integrity, mitochondrial membrane potential, cell death). Based on the number of observed modulations known to be involved in hepatic homeostasis dysfunction that may lead to cancer progression such as cell cycle and apoptosis regulators, EMT biomarkers and signal transduction pathways, we then ranked the pollutants in terms of their toxicity. Endosulfan, was able to strongly modulate all the studied cellular processes in HepG2 cells, followed by dioxin, then carbendazim. While p,p'DDE, carbaryl and hydroquinone seemed to affect fewer functions, their effects nevertheless warrant close scrutiny. Our in vitro data indicate that these xenobiotics may contribute to the evolution and worsening of hepatocarcinoma, whether via the induction of the EMT process and/or via the deregulation of liver key processes such as cell cycle and resistance to apoptosis.

  4. New Evidences of Key Factors Involved in "Silent Stones" Etiopathogenesis and Trace Elements: Microscopic, Spectroscopic, and Biochemical Approach.

    Science.gov (United States)

    Cavalu, Simona; Popa, Adriana; Bratu, Ioan; Borodi, Gheorghe; Maghiar, Adrian

    2015-12-01

    The knowledge of the key factors involved in etiopathogenesis of the gallstone disease requires chemical, structural, and elemental composition analysis. The application of different complementary analytical techniques, both microscopic and spectroscopic, are aimed to provide a more comprehensive determination of the gallbladder calculi ultrastructure and trace element identification. High sensitivity techniques such as electron microscopy (SEM), Fourier transform infrared (FTIR), electron paramagnetic resonance (EPR) spectroscopy, and X-ray diffraction (XRD) along with biochemical analysis are used in a new attempt to investigate various factors which play a regulatory role in the pathogenesis of gallstones. The microstructure of different types of gallbladder stones has specific characteristics which are related to the elemental composition. The binding of metal ions with bile salts and bilirubin plays important roles in gallstone formation as revealed by FTIR spectrum of calcium bilirubinate complex in pigment gallstones. The EPR results demonstrated the generation of bilirubin free radicals and variation of its electronic structure and conjugation system in the skeleton of bilirubin molecule during complex formation. EPR spectra of pigment gallstones demonstrate the coexistence of four paramagnetic centers including stable bilirubin free radical, Mn2+, Cu2+, and Fe3+ with distinct magnetic parameters and well-resolved hyperfine structure in the case of Mn2+ ions. The result confirms a macromolecular network structure with proteins and the formation of bilirubin-coordinated polymer. Bilirubin and bilirubinate free radical complexes may play an important role in pigment gallstone formation.

  5. Injury Severity of Motorcycle Riders Involved in Traffic Crashes in Hunan, China: A Mixed Ordered Logit Approach

    Directory of Open Access Journals (Sweden)

    Fangrong Chang

    2016-07-01

    Full Text Available Issues related to motorcycle safety in China have not received enough research attention. As such, the causal relationship between injury outcomes of motorcycle crashes and potential risk factors remains unknown. This study intended to investigate the injury risk of motorcyclists involved in road traffic crashes in China. To account for the ordinal nature of response outcomes and unobserved heterogeneity, a mixed ordered logit model was employed. Given that the crash occurrence process is different between intersections and non-intersections, separate models were developed for these locations to independently estimate the impacts of various contributing factors on motorcycle riders’ injury severity. The analysis was based on the police-reported crash dataset obtained from the Traffic Administration Bureau of Hunan Provincial Public Security Ministry. Factors associated with a substantially higher probability of fatalities and severe injuries included motorcycle riders older than 60 years, the absence of helmets, motorcycle riders identified to be equal duty, and when a motorcycle collided with a heavy vehicle during the night time without lighting. Crashes occurred along county roads with curve and slope alignment or at regions with higher GDP were associated with an elevated risk of fatality of motorcycle riders, while unsignalized intersections were related to less severe injuries. Findings of this study are beneficial in forming several targeted countermeasures for motorcycle safety in China, including designing roads with appropriate road delineation and street lighting, strict enforcement for speeding and red light violations, promoting helmet usage, and improving the conspicuity of motorcyclists.

  6. Injury Severity of Motorcycle Riders Involved in Traffic Crashes in Hunan, China: A Mixed Ordered Logit Approach.

    Science.gov (United States)

    Chang, Fangrong; Li, Maosheng; Xu, Pengpeng; Zhou, Hanchu; Haque, Md Mazharul; Huang, Helai

    2016-07-14

    Issues related to motorcycle safety in China have not received enough research attention. As such, the causal relationship between injury outcomes of motorcycle crashes and potential risk factors remains unknown. This study intended to investigate the injury risk of motorcyclists involved in road traffic crashes in China. To account for the ordinal nature of response outcomes and unobserved heterogeneity, a mixed ordered logit model was employed. Given that the crash occurrence process is different between intersections and non-intersections, separate models were developed for these locations to independently estimate the impacts of various contributing factors on motorcycle riders' injury severity. The analysis was based on the police-reported crash dataset obtained from the Traffic Administration Bureau of Hunan Provincial Public Security Ministry. Factors associated with a substantially higher probability of fatalities and severe injuries included motorcycle riders older than 60 years, the absence of helmets, motorcycle riders identified to be equal duty, and when a motorcycle collided with a heavy vehicle during the night time without lighting. Crashes occurred along county roads with curve and slope alignment or at regions with higher GDP were associated with an elevated risk of fatality of motorcycle riders, while unsignalized intersections were related to less severe injuries. Findings of this study are beneficial in forming several targeted countermeasures for motorcycle safety in China, including designing roads with appropriate road delineation and street lighting, strict enforcement for speeding and red light violations, promoting helmet usage, and improving the conspicuity of motorcyclists.

  7. The promoter competition assay (PCA): a new approach to identify motifs involved in the transcriptional activity of reporter genes.

    Science.gov (United States)

    Hube, Florent; Myal, Yvonne; Leygue, Etienne

    2006-05-01

    Identifying particular motifs responsible for promoter activity is a crucial step toward the development of new gene-based preventive and therapeutic strategies. However, to date, experimental methods to study promoter activity remain limited. We present in this report a promoter competition assay designed to identify, within a given promoter region, motifs critical for its activity. This assay consists in co-transfecting the promoter to be analyzed and double-stranded oligonucleotides which will compete for the binding of transcription factors. Using the recently characterized SBEM promoter as model, we first delineated the feasibility of the method and optimized the experimental conditions. We then identified, within an 87-bp region responsible for a strong expression of the reporter gene, an octamer-binding site essential for its transcriptional regulation. The importance of this motif has been confirmed by site-directed mutagenesis. The promoter competition assay appears to be a fast and efficient approach to identify, within a given promoter sequence, sites critical for its activity.

  8. Ionic thermoelectric gating organic transistors

    Science.gov (United States)

    Zhao, Dan; Fabiano, Simone; Berggren, Magnus; Crispin, Xavier

    2017-01-01

    Temperature is one of the most important environmental stimuli to record and amplify. While traditional thermoelectric materials are attractive for temperature/heat flow sensing applications, their sensitivity is limited by their low Seebeck coefficient (∼100 μV K−1). Here we take advantage of the large ionic thermoelectric Seebeck coefficient found in polymer electrolytes (∼10,000 μV K−1) to introduce the concept of ionic thermoelectric gating a low-voltage organic transistor. The temperature sensing amplification of such ionic thermoelectric-gated devices is thousands of times superior to that of a single thermoelectric leg in traditional thermopiles. This suggests that ionic thermoelectric sensors offer a way to go beyond the limitations of traditional thermopiles and pyroelectric detectors. These findings pave the way for new infrared-gated electronic circuits with potential applications in photonics, thermography and electronic-skins. PMID:28139738

  9. Ionic thermoelectric gating organic transistors

    Science.gov (United States)

    Zhao, Dan; Fabiano, Simone; Berggren, Magnus; Crispin, Xavier

    2017-01-01

    Temperature is one of the most important environmental stimuli to record and amplify. While traditional thermoelectric materials are attractive for temperature/heat flow sensing applications, their sensitivity is limited by their low Seebeck coefficient (~100 μV K-1). Here we take advantage of the large ionic thermoelectric Seebeck coefficient found in polymer electrolytes (~10,000 μV K-1) to introduce the concept of ionic thermoelectric gating a low-voltage organic transistor. The temperature sensing amplification of such ionic thermoelectric-gated devices is thousands of times superior to that of a single thermoelectric leg in traditional thermopiles. This suggests that ionic thermoelectric sensors offer a way to go beyond the limitations of traditional thermopiles and pyroelectric detectors. These findings pave the way for new infrared-gated electronic circuits with potential applications in photonics, thermography and electronic-skins.

  10. Ionic emission from Taylor cones

    Science.gov (United States)

    Castro Reina, Sergio

    Electrified Taylor cones have been seen as an efficient way to generate thrust for space propulsion. Especially the pure ionic regime (PIR) combines a very high specific impulse (thrust per unit mass) and efficiency, which is very important to reduce fuel transportation costs. The PIR has been primarily based on electrosprays of liquid metals [Swatik and Hendricks 1968, Swatik 1969]. However, emissions dominated by or containing exclusively ions have also been observed from nonmetallic purely ionic substances, initially sulfuric acid [Perel et al. 1969], and more recently room temperature molten salts referred to as ionic liquids (ILs) [Romero-Sanz et al. 2003]. The recent use of the liquid metal ion source (LMIS) with ILs, becoming this "new" source to be known as ionic liquid ion source (ILIS) [Lozano and Martinez-Sanchez 2005], has shown important differences on the emission from Taylor cones with the traditional hollow capillary. This new source seems to be more flexible than the capillary [Paulo, Sergio, carlos], although its low emission level (low thrust) is an important drawback from the space propulsion point of view. Throughout the thesis I have studied some aspects of the ionic emission from ionic liquid Taylor cones and the influence of the properties of the liquids and the characteristic of source on the emission. I have unraveled the reason why ILIS emits such low currents (˜200 nA) and found a way to solve this problem increasing the current up to capillary levels (˜1000 nA) [Castro and Fernandez de la Mora 2009]. I have also tried to reduce ion evaporation while reducing the emitted droplet size in order to increase the thrust generated while keeping the efficiency relatively high and I have measured the energy of evaporation of several cations composing ionic liquids, mandatory step to understand ionic evaporation.

  11. Hydrophobic ionic liquids

    Science.gov (United States)

    Koch, Victor R.; Nanjundiah, Chenniah; Carlin, Richard T.

    1998-01-01

    Ionic liquids having improved properties for application in non-aqueous batteries, electrochemical capacitors, electroplating, catalysis and chemical separations are disclosed. Exemplary compounds have one of the following formulas: ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, and R.sub.6 are either H; F; separate alkyl groups of from 1 to 4 carbon atoms, respectively, or joined together to constitute a unitary alkylene radical of from 2 to 4 carbon atoms forming a ring structure converging on N; or separate phenyl groups; and wherein the alkyl groups, alkylene radicals or phenyl groups may be substituted with electron withdrawing groups, preferably F--, Cl--, CF.sub.3 --, SF.sub.5 --, CF.sub.3 S--, (CF.sub.3).sub.2 CHS-- or (CF.sub.3).sub.3 CS--; and X.sup.- is a non-Lewis acid-containing polyatomic anion having a van der Waals volume exceeding 100 .ANG..sup.3.

  12. Ionic strength and pH effect on the Fe(III)-imidazolate bond in the heme pocket of horseradish peroxidase: an EPR and UV-visible combined approach.

    Science.gov (United States)

    Laurenti, E; Suriano, G; Ghibaudi, E M; Ferrari, R P

    2000-10-01

    The effects of chloride, dihydrogenphosphate and ionic strength on the spectroscopic properties of horseradish peroxidase in aqueous solution at pH=3.0 were investigated. A red-shift (lambda=408 nm) of the Soret band was observed in the presence of 40 mM chloride; 500 mM dihydrogenphosphate or chloride brought about a blue shift of the same band (lambda=370 nm). The EPR spectrum of the native enzyme at pH 3.0 was characterized by the presence of two additional absorption bands in the region around g=6, with respect to pH 6.5. Chloride addition resulted in the loss of these features and in a lower rhombicity of the signal. A unique EPR band at g=6.0 was obtained as a result of the interaction between HRP and dihydrogenphosphate, both in the absence and presence of 40 mM Cl-. We suggest that a synergistic effect of low pH, Cl- and ionic strength is responsible for dramatic modifications of the enzyme conformation consistent with the Fe(II)-His170 bond cleavage. Dihydrogenphosphate as well as high chloride concentrations are shown to display an unspecific effect, related to ionic strength. A mechanistic explanation for the acid transition of HRP, previously observed by Smulevich et al. [Biochemistry 36 (1997) 640] and interpreted as a pure pH effect, is proposed.

  13. Ionic conductivity in irradiated KCL; Conductiviad ionica de KCL irradiado

    Energy Technology Data Exchange (ETDEWEB)

    Vignolo Rubio, J.

    1979-07-01

    The ionic conductivity of X and gamma irradiated KCL single crystals has been studied between room temperature and 600 degree centigree. the radiation induced damage resulting in a decrease of the conductivity heals by thermal annealing in two steps which are at about 350 and 550 degree centigree respectively. It has been found that the radiation induced colour centres are not involved in the observed decrease of the ionic conductivity. However. It has been observed that the effects of quenching and plastic deformation on the conductivity of the samples are very similar to the effect induced by irradiation. It is suggested that, samples radiation induced dislocation loops might cause the ionic conductivity decrease observed in irradiated samples. (Author)

  14. Phytoremediation of Ionic and Methyl Mercury Pollution

    Energy Technology Data Exchange (ETDEWEB)

    Meagher, Richard B.

    2005-06-01

    Phytoremediation is defined as the use of plants to extract, resist, detoxify, and/or sequester toxic environmental pollutants. The long-term goal of the proposed research is to develop and test highly productive, field-adapted plant species that have been engineered for the phytoremediation of mercury. A variety of different genes, which should enable plants to clean mercury polluted sites are being tested as tools for mercury phytoremediation, first in model laboratory plants and then in potential field species. Several of these genes have already been shown to enhance mercury phytoremediation. Mercury pollution is a serious, world-wide problem affecting the health of human and wildlife populations. Environmentally, the most serious mercury threat is the production of methylmercury (CH3Hg+) by native bacteria at mercury contaminated wetland sites. Methylmercury is inherently more toxic than metallic (Hg(0)) or ionic (Hg(II)) mercury, and because methylmercury is prolifically biomagnified up the food chain, it poses the most immediate danger to animal populations. We have successfully engineered two model plants, Arabidopsis and tobacco, to use the bacterial merB gene to convert methylmercury to less toxic ionic mercury and to use the bacterial merA gene to further detoxify ionic mercury to the least toxic form of mercury, metallic mercury. Plants expressing both MerA and MerB proteins detoxify methylmercury in two steps to the metallic form. These plants germinate, grow, and set seed at normal growth rates on levels of methylmercury or ionic mercury that are lethal to normal plants. Our newest efforts involve engineering plants with several additional bacterial and plant genes that allow for higher levels of mercury resistance and mercury hyperaccumulation. The potential for these plants to hyperaccumulate mercury was further advanced by developing constitutive, aboveground, and root-specific gene expression systems. Our current strategy is to engineer plants to

  15. Ionic Coulomb Blockade and Resonant Conduction in Biological Ion Channels

    CERN Document Server

    Kaufman, I Kh; Eisenberg, R S

    2014-01-01

    The conduction and selectivity of calcium/sodium ion channels are described in terms of ionic Coulomb blockade, a phenomenon based on charge discreteness and an electrostatic model of an ion channel. This novel approach provides a unified explanation of numerous observed and modelled conductance and selectivity phenomena, including the anomalous mole fraction effect and discrete conduction bands. Ionic Coulomb blockade and resonant conduction are similar to electronic Coulomb blockade and resonant tunnelling in quantum dots. The model is equally applicable to other nanopores.

  16. Recrystallized quinolinium ionic liquids for electrochemical analysis

    Science.gov (United States)

    Selvaraj, Gowri; Wilfred, Cecilia Devi; Eang, Neo Kian

    2016-11-01

    Ionic liquids have received a lot of attention due to their unique properties. In this work the prospect of quinolinium based ionic liquids as electrolyte for dye sensitised solar cell were tested using cyclic voltammetry. The results have shown electron transfer in the ionic liquid without undergoing any permanent chemical changes. Prior to testing, the ionic liquids were purified through recrystallization as electrochemical properties of ionic liquids are highly dependent on the purity of the ionic liquids. This results have shone new light for this work.

  17. Ionic Graphitization of Ultrathin Films of Ionic Compounds.

    Science.gov (United States)

    Kvashnin, A G; Pashkin, E Y; Yakobson, B I; Sorokin, P B

    2016-07-21

    On the basis of ab initio density functional calculations, we performed a comprehensive investigation of the general graphitization tendency in rocksalt-type structures. In this paper, we determine the critical slab thickness for a range of ionic cubic crystal systems, below which a spontaneous conversion from a cubic to a layered graphitic-like structure occurs. This conversion is driven by surface energy reduction. Using only fundamental parameters of the compounds such as the Allen electronegativity and ionic radius of the metal atom, we also develop an analytical relation to estimate the critical number of layers.

  18. Proline Based Chiral Ionic Liquids for Enantioselective Michael Reaction

    Directory of Open Access Journals (Sweden)

    Kaoru Nobuoka

    2014-01-01

    Full Text Available Chiral ionic liquids, starting from (S-proline, have been prepared and evaluated the ability of a chiral catalyst. In Michael reaction of trans-β-nitrostyrene and cyclohexanone, all the reactions were carried out under homogeneous conditions without any solvent except for excess cyclohexanone. The chiral ionic liquid catalyst with the positive charge delocalized bulky pyrrolidinium cation shows excellent yields (up to 92%, diastereoselectivities (syn/anti = 96/4, and enantioselectivities (up to 95% ee and could be reused at least three times without any loss of its catalytic activity. Such results demonstrated a promising new approach for green and economic chiral synthesis by using the chiral ionic liquids as a chiral catalyst and a chiral medium.

  19. Monolayer to Bilayer Structural Transition in Confined Pyrrolidinium-Based Ionic Liquids.

    Science.gov (United States)

    Smith, Alexander M; Lovelock, Kevin R J; Gosvami, Nitya Nand; Licence, Peter; Dolan, Andrew; Welton, Tom; Perkin, Susan

    2013-02-07

    Ionic liquids can be intricately nanostructured in the bulk and at interfaces resulting from a delicate interplay between interionic and surface forces. Here we report the structuring of a series of dialkylpyrrolidinium-based ionic liquids induced by confinement. The ionic liquids containing cations with shorter alkyl chain substituents form alternating cation-anion monolayer structures on confinement to a thin film, whereas a cation with a longer alkyl chain substituent leads to bilayer formation. The crossover from monolayer to bilayer structure occurs between chain lengths of n = 8 and 10 for these pyrrolidinium-based ionic liquids. The bilayer structure for n = 10 involves full interdigitation of the alkyl chains; this is in contrast with previous observations for imidazolium-based ionic liquids. The results are pertinent to these liquids' application as electrolytes, where the electrolyte is confined inside the pores of a nanoporous electrode, for example, in devices such as supercapacitors or batteries.

  20. ACTIVE TEACHING-LEARNING METHODOLOGY TO APPROACH CARBOHYDRATE AND LIPID METABOLISM: An interdisciplinary strategy that involved the Moodle tool in the development of Problem Based Learning

    Directory of Open Access Journals (Sweden)

    J. M.P. Borges

    2015-08-01

    Full Text Available Highlight the relevance of topics studied for professional practice and associate approaches provided by different areas of knowledge are pointed as essential aspects for significant learning. Contextualize the study of metabolic pathways, linking the clinical use and expanding the vision with the approach of cellular and molecular biology discipline was the motivation for the development of the strategy described and evaluated here. In this work, starting from the concept of active methodology of teaching and learning was developed a methodological strategy to approach the carbohydrate and lipid metabolism. This strategy included: questioning the content through the clinical case study on diabetes mellitus and hypercholesterolemia, individual and collective study in the external space the classroom with the help of Moodle tool, classroom discussion accompanied by the teacher, preparation of seminar, evaluation of the content through individual written test and evaluation of the method. Analysis of student involvement with method indicates an average frequency of 98% in the practical class of Biochemistry discipline, effective participation in the preparation of seminars, an increase of 2 points in average of individual written evaluation. As for the fact that the cases were studied in two curricular components, the answers show that 92% of students feel more compression. Only 6% of students think  unnecessary to interdisciplinary approach. As for the different steps of the method, the answers show that 99% of students consider how relevant the initial self-study and discussions in class. However, only 50% of students appreciated the use of Moodle tool. Thus, student responses indicated the perception of the effectiveness of the method for their ability to: stimulate interest in learning, stimulate the search for answers through research and the building of learning.

  1. Surface tension of ionic liquids and ionic liquid solutions.

    Science.gov (United States)

    Tariq, Mohammad; Freire, Mara G; Saramago, Benilde; Coutinho, João A P; Lopes, José N Canongia; Rebelo, Luís Paulo N

    2012-01-21

    Some of the most active scientific research fronts of the past decade are centered on ionic liquids. These fluids present characteristic surface behavior and distinctive trends of their surface tension versus temperature. One way to explore and understand their unique nature is to study their surface properties. This critical review analyses most of the surface tension data reported between 2001 and 2010 (187 references).

  2. Selective Extraction of Bioproducts by Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    王键吉; 裴渊超; 赵扬; 张锁江

    2005-01-01

    Imidazolium based room temperature ionic liquids have been used to extract selectively L-tryptophan from fermentation broth. BF4 anion was found to enhance dramatically the partitioning of L-tryptophan into ionic liquid phase from aqueous solutions.

  3. Extraction of S- and N-Compounds from the Mixture of Hydrocarbons by Ionic Liquids as Selective Solvents

    OpenAIRE

    Beata Gabrić; Aleksandra Sander; Marina Cvjetko Bubalo; Dejan Macut

    2013-01-01

    Liquid-liquid extraction is an alternative method that can be used for desulfurization and denitrification of gasoline and diesel fuels. Recent approaches employ different ionic liquids as selective solvents, due to their general immiscibility with gasoline and diesel, negligible vapor pressure, and high selectivity to sulfur- and nitrogen-containing compounds. For that reason, five imidazolium-based ionic liquids and one pyridinium-based ionic liquid were selected for extraction of thiophene...

  4. [Approaches potentiating cardioprotective effect of ambulatory physical training in patients with ischemic heart disease and multivessel coronary artery involvement after coronary stenting].

    Science.gov (United States)

    Liamina, N P; Kotel'nikova, E V; Biziaeva, E A; Karpova, É S

    2014-01-01

    Cardiorehabilitation of patients with multivessel coronary lesions is an obligatory component of ambulatory stage of care. With the aim of potentiating cardioprotective and antiischemic impact of rehabilitative preventive measures in 36 patients with ischemic heart disease (IHD) and multivessel coronary artery involvement who had undergone percutaneous coronary intervention we studied cardioprotective and antiischemic effect of long-term (24 weeks) administration of 70 mg/day trimetazidine in combination with moderate intensity physical training with the use of distance surveillance by a physician. The chosen therapeutic approach in patients with residual ischemia after incomplete anatomical revascularization provided early persistent formation of cardioprotective and antiischemic effect proven by increase of tolerance to physical exercise, improvement of diastolic function, and positive dynamics of both ECG parameters and biochemical markers of myocardial ischemia.

  5. Microenergetic research involving a coupled experimental and computational approach to evaluate microstructural effects on detonation and combustion at sub-millimeter geometries.

    Energy Technology Data Exchange (ETDEWEB)

    Nogan, John; Palmer, Jeremy Andrew; Brundage, Aaron L.; Long, Gregory T.; Wroblewski, Brian D.; Tappan, Alexander Smith; Renlund, Anita Mariana; Kravitz, Stanley H.; Baer, Melvin R.

    2006-07-01

    A new approach to explosive sample preparation is described in which microelectronics-related processing techniques are utilized. Fused silica and alumina substrates were prepared utilizing laser machining. Films of PETN were deposited into channels within the substrates by physical vapor deposition. Four distinct explosive behaviors were observed with high-speed framing photography by driving the films with a donor explosive. Initiation at hot spots was directly observed, followed by either energy dissipation leading to failure, or growth to a detonation. Unsteady behavior in velocity and structure was observed as reactive waves failed due to decreasing channel width. Mesoscale simulations were performed to assist in experiment development and understanding. We have demonstrated the ability to pattern these films of explosives and preliminary mesoscale simulations of arrays of voids showed effects dependent on void size and that detonation would not develop with voids below a certain size. Future work involves experimentation on deposited films with regular patterned porosity to elucidate mesoscale explosive behavior.

  6. Nanoparticle enhanced ionic liquid heat transfer fluids

    Science.gov (United States)

    Fox, Elise B.; Visser, Ann E.; Bridges, Nicholas J.; Gray, Joshua R.; Garcia-Diaz, Brenda L.

    2014-08-12

    A heat transfer fluid created from nanoparticles that are dispersed into an ionic liquid is provided. Small volumes of nanoparticles are created from e.g., metals or metal oxides and/or alloys of such materials are dispersed into ionic liquids to create a heat transfer fluid. The nanoparticles can be dispersed directly into the ionic liquid during nanoparticle formation or the nanoparticles can be formed and then, in a subsequent step, dispersed into the ionic liquid using e.g., agitation.

  7. Energy Harvesting Applications of Ionic Polymers

    OpenAIRE

    Martin, Benjamin Ryan

    2005-01-01

    Energy Harvesting Applications of Ionic Polymers Benjamin R. Martin Abstract The purpose of this thesis is the development and analysis of applications for ionic polymers as energy harvesting devices. The specific need is a self-contained energy harvester to supply renewable power harvested from ambient vibrations to a wireless sensor. Ionic polymers were investigated as mechanical to electrical energy transducers. An ionic polymer device was designed to harvest energy from vi...

  8. "Practical" Electrospinning of Biopolymers in Ionic Liquids.

    Science.gov (United States)

    Shamshina, Julia L; Zavgorodnya, Oleksandra; Bonner, Jonathan R; Gurau, Gabriela; Di Nardo, Thomas; Rogers, Robin D

    2017-01-10

    To address the need to scale up technologies for electrospinning of biopolymers from ionic liquids to practical volumes, a setup for the multi-needle electrospinning of chitin using the ionic liquid 1-ethyl-3-methylimidazolium acetate, [C2 mim]-[OAc], was designed, built, and demonstrated. Materials with controllable and high surface area were prepared at the nanoscale using ionic-liquid solutions of high-molecular-weight chitin extracted with the same ionic liquid directly from shrimp shells.

  9. Complex Formation Between Polyelectrolytes and Ionic Surfactants

    OpenAIRE

    1998-01-01

    The interaction between polyelectrolyte and ionic surfactant is of great importance in different areas of chemistry and biology. In this paper we present a theory of polyelectrolyte ionic-surfactant solutions. The new theory successfully explains the cooperative transition observed experimentally, in which the condensed counterions are replaced by ionic-surfactants. The transition is found to occur at surfactant densities much lower than those for a similar transition in non-ionic polymer-sur...

  10. Effects of ionic strength on membrane fouling in a membrane bioreactor.

    Science.gov (United States)

    Wang, Fangyuan; Zhang, Meijia; Peng, Wei; He, Yiming; Lin, Hongjun; Chen, Jianrong; Hong, Huachang; Wang, Aijun; Yu, Haiying

    2014-03-01

    In this study, the effects of ionic strength on membrane fouling in a membrane bioreactor (MBR) were investigated. Ionic strength in range of 0.005-0.05mol/L exerted no apparent impacts on the resistance of virgin membrane, fouled membrane and pore clogging. Thermodynamic analysis showed existences of a secondary energy minimum and an energy barrier in the process of the sludge flocs approaching to membrane surface. Increase in ionic strength could significantly reduce the energy barrier. It was revealed that there existed a critical ionic strength above that the energy barrier would disappear, facilitating adhesion of the foulants. Cake resistance was not significantly affected by the ionic strength, but highly depended on SMP in supernatant. The high cake resistance caused by SMP could be explained by the osmotic pressure mechanism. The obtained results provided new insights into membrane fouling in MBRs.

  11. Optimisation of a Generic Ionic Model of Cardiac Myocyte Electrical Activity

    Directory of Open Access Journals (Sweden)

    Tianruo Guo

    2013-01-01

    Full Text Available A generic cardiomyocyte ionic model, whose complexity lies between a simple phenomenological formulation and a biophysically detailed ionic membrane current description, is presented. The model provides a user-defined number of ionic currents, employing two-gate Hodgkin-Huxley type kinetics. Its generic nature allows accurate reconstruction of action potential waveforms recorded experimentally from a range of cardiac myocytes. Using a multiobjective optimisation approach, the generic ionic model was optimised to accurately reproduce multiple action potential waveforms recorded from central and peripheral sinoatrial nodes and right atrial and left atrial myocytes from rabbit cardiac tissue preparations, under different electrical stimulus protocols and pharmacological conditions. When fitted simultaneously to multiple datasets, the time course of several physiologically realistic ionic currents could be reconstructed. Model behaviours tend to be well identified when extra experimental information is incorporated into the optimisation.

  12. Ionic-Liquid-Tethered Nanoparticles: Hybrid Electrolytes

    KAUST Repository

    Moganty, Surya S.

    2010-10-22

    A new class of solventless electrolytes was created by tethering ionic liquids to hard inorganic ZrO2 nanostructures (see picture; NIM=nanoscale ionic material). These hybrid fluids exhibit exceptional redox stability windows, excellent thermal stability, good lithium transference numbers, long-term interfacial stability in the presence of a lithium anode and, when doped with lithium salt, reasonable ionic conductivities.

  13. High-flux ionic diodes, ionic transistors and ionic amplifiers based on external ion concentration polarization by an ion exchange membrane: a new scalable ionic circuit platform.

    Science.gov (United States)

    Sun, Gongchen; Senapati, Satyajyoti; Chang, Hsueh-Chia

    2016-04-07

    A microfluidic ion exchange membrane hybrid chip is fabricated using polymer-based, lithography-free methods to achieve ionic diode, transistor and amplifier functionalities with the same four-terminal design. The high ionic flux (>100 μA) feature of the chip can enable a scalable integrated ionic circuit platform for micro-total-analytical systems.

  14. The hype with ionic liquids as solvents

    Science.gov (United States)

    Kunz, Werner; Häckl, Katharina

    2016-09-01

    In this mini review, we give our personal opinion about the present state of the art concerning Ionic Liquids, proposed as alternative solvents. In particular, we consider their different drawbacks and disadvantages and discuss the critical aspects of the research of Ionic Liquids as solvents. Finally, we point out some aspects on potentially promising Ionic Liquid solvents.

  15. Lipid processing in ionic liquids

    DEFF Research Database (Denmark)

    Lue, Bena-Marie; Guo, Zheng; Xu, Xuebing

    2007-01-01

    Ionic liquids (ILs) have been touted as “green” alternatives to traditional molecular solvents and have many unique properties which make them extremely desirable substitutes. Among their most attractive properties are their lack of vapour pressure, broad liquid range, strong solvating power...

  16. Retarded ionic motion in flourites

    NARCIS (Netherlands)

    Schoonman, J.

    1980-01-01

    Metals halides with the fluorite structure attain conductivity values typical of ionic melts far below their melting points, and also go through a second-order transition. Conductivity data for the fluorites are reviewed, and it is shown that the anion vacancies have a large and unique mobility valu

  17. Cellulose multilayer Membranes manufacture with Ionic liquid

    KAUST Repository

    Livazovic, Sara

    2015-05-09

    Membrane processes are considered energy-efficient for water desalination and treatment. However most membranes are based on polymers prepared from fossil petrochemical sources. The development of multilayer membranes for nanofiltration and ultrafiltration, with thin selective layers of naturally available cellulose has been hampered by the availability of non-aggressive solvents. We propose the manufacture of cellulose membranes based on two approaches: (i) silylation, coating from solutions in tetrahydrofuran, followed by solvent evaporation and cellulose regeneration by acid treatment; (ii) casting from solution in 1-ethyl-3-methylimidazolum acetate ([C2mim]OAc), an ionic liquid, followed by phase inversion in water. By these methods porous supports could be easily coated with semi-crystalline cellulose. The membranes were hydrophilic with contact angles as low as 22.0°, molecular weight cut-off as low as 3000 g mol-1 with corresponding water permeance of 13.8 Lm−2 h−1 bar−1. Self-standing cellulose membranes were also manufactured without porous substrate, using only ionic liquid as green solvent. This membrane was insoluble in water, tetrahydrofuran, hexane, N,N-dimethylformamide, 1-methyl-2-pyrrolidinone and N,N-dimethylacetamide.

  18. Dissociation of equimolar mixtures of aqueous carboxylic acids in ionic liquids: role of specific interactions.

    Science.gov (United States)

    Shukla, Shashi Kant; Kumar, Anil

    2015-04-30

    Hammett acidity function observes the effect of protonation/deprotonation on the optical density/absorbance of spectrophotometric indicator. In this work, the Hammett acidity, H0, of equimolar mixtures of aqueous HCOOH, CH3COOH, and CH3CH2COOH was measured in 1-methylimidazolium-, 1-methylpyrrolidinium-, and 1-methylpiperidinium-based protic ionic liquids (PILs) and 1-butyl-3-methylimidazolium-based aprotic ionic liquid (AIL) with formate (HCOO(-)) anion. Higher H0 values were observed for the equimolar mixtures of aqueous carboxylic acids in protic ionic liquids compared with those of the aprotic ionic liquid because of the involvement of the stronger specific interactions between the conjugate acid of ionic liquid and conjugate base of carboxylic acids as suggested by the hard-soft acid base (HSAB) theory. The different H0 values for the equimolar mixtures of aqueous carboxylic acids in protic and aprotic ionic liquids were noted to depend on the activation energy of proton transfer (Ea,H(+)). The higher activation energy of proton transfer was obtained in AIL, indicating lower ability to form specific interactions with solute than that of PILs. Thermodynamic parameters determined by the "indicator overlapping method" further confirmed the involvement of the secondary interactions in the dissociation of carboxylic acids. On the basis of the thermodynamic parameter values, the potential of different ionic liquids in the dissociation of carboxylic acids was observed to depend on the hydrogen bond donor acidity (α) and hydrogen bond acceptor basicity (β), characteristics of specific interactions.

  19. Nanoporous membranes with electrochemically switchable, chemically stabilized ionic selectivity.

    Science.gov (United States)

    Small, Leo J; Wheeler, David R; Spoerke, Erik D

    2015-10-28

    Nanopore size, shape, and surface charge all play important roles in regulating ionic transport through nanoporous membranes. The ability to control these parameters in situ provides a means to create ion transport systems tunable in real time. Here, we present a new strategy to address this challenge, utilizing three unique electrochemically switchable chemistries to manipulate the terminal functional group and control the resulting surface charge throughout ensembles of gold plated nanopores in ion-tracked polycarbonate membranes 3 cm(2) in area. We demonstrate the diazonium mediated surface functionalization with (1) nitrophenyl chemistry, (2) quinone chemistry, and (3) previously unreported trimethyl lock chemistry. Unlike other works, these chemistries are chemically stabilized, eliminating the need for a continuously applied gate voltage to maintain a given state and retain ionic selectivity. The effect of surface functionalization and nanopore geometry on selective ion transport through these functionalized membranes is characterized in aqueous solutions of sodium chloride at pH = 5.7. The nitrophenyl surface allows for ionic selectivity to be irreversibly switched in situ from cation-selective to anion-selective upon reduction to an aminophenyl surface. The quinone-terminated surface enables reversible changes between no ionic selectivity and a slight cationic selectivity. Alternatively, the trimethyl lock allows ionic selectivity to be reversibly switched by up to a factor of 8, approaching ideal selectivity, as a carboxylic acid group is electrochemically revealed or hidden. By varying the pore shape from cylindrical to conical, it is demonstrated that a controllable directionality can be imparted to the ionic selectivity. Combining control of nanopore geometry with stable, switchable chemistries facilitates superior control of molecular transport across the membrane, enabling tunable ion transport systems.

  20. Charge Transport and Glassy Dynamics in Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Sangoro, Joshua R [ORNL; Kremer, Friedrich [University of Leipzig

    2012-01-01

    Ionic liquids (ILs) exhibit unique features such as low melting points, low vapor pressures, wide liquidus temperature ranges, high thermal stability, high ionic conductivity, and wide electrochemical windows. As a result, they show promise for use in variety of applications: as reaction media, in batteries and supercapacitors, in solar and fuel cells, for electrochemical deposition of metals and semiconductors, for protein extraction and crystallization, and many others. Because of the ease with which they can be supercooled, ionic liquids offer new opportunities to investigate long-standing questions regarding the nature of the dynamic glass transition and its possible link to charge transport. Despite the significant steps achieved from experimental and theoretical studies, no generally accepted quantitative theory of dynamic glass transition to date has been capable of reproducing all the experimentally observed features. In this Account, we discuss recent studies of the interplay between charge transport and glassy dynamics in ionic liquids as investigated by a combination of several experimental techniques including broadband dielectric spectroscopy, pulsed field gradient nuclear magnetic resonance, dynamic mechanical spectroscopy, and differential scanning calorimetry. Based on EinsteinSmoluchowski relations, we use dielectric spectra of ionic liquids to determine diffusion coefficients in quantitative agreement with independent pulsed field gradient nuclear magnetic resonance measurements, but spanning a broader range of more than 10 orders of magnitude. This approach provides a novel opportunity to determine the electrical mobility and effective number density of charge carriers as well as their types of thermal activation from the measured dc conductivity separately. We also unravel the origin of the remarkable universality of charge transport in different classes of glass-forming ionic liquids.

  1. Polypyrrole for Artificial Muscles: Ionic Mechanisms

    DEFF Research Database (Denmark)

    Skaarup, Steen

    2006-01-01

    is centered on polypyrrole (PPy), which is the material most used and studied. The tetraethyl ammonium cation (TEA) is shown to be able to move in and out of PPy(DBS) polymer films, in contrast to expectations. There is a switching between ionic mechanisms during cycling in TEACl electrolyte.......Some conjugated polymers can convert electrical energy to mechanical energy (via chemical energy), thereby acting as electro-chemo-mechanical actuators or “artificial muscles”. The advantage of this type of actuator is that the process can be driven by the application of a small potential (1-5 V......), opening the possibility of making control and measurement both safe and accurate. The actuation process is identical to charging and discharging an electrochemical cell during redox cycling of a rechargeable battery. It involves ions moving between the electrolyte and being inserted in, or expelled from...

  2. Fluorophotometric determination of critical micelle concentration (CMC) of ionic and non-ionic surfactants with carbon dots via Stokes shift.

    Science.gov (United States)

    Lavkush Bhaisare, Mukesh; Pandey, Sunil; Shahnawaz Khan, M; Talib, Abou; Wu, Hui-Fen

    2015-01-01

    A new and facile method for the determination of critical micelle concentration (CMC) of ionic and non-ionic surfactants is proposed in this article. Carbon dots exhibited substantial fluorescence and therefore enhanced the sensitivity of this evaluation. Understanding the formation of surfactant micelles is vital for the applications of biomedicine such as drug fabrication and smart molecular vehicles in delivering therapeutic dosage to various molecular sites. The fluorescence property of carbon dots was utilized for the first time to estimate the critical micelle concentration of surfactants. The central concept of the approach is based on the Stokes shift determination of a system composed of constant amount of carbon dots with varying concentrations of ionic and non-ionic surfactants. The synthesized carbon dots were characterized by FTIR, TEM, XRD, Raman, UV, and fluorescence spectroscope. The carbon dots were excited at 280 nm so as to obtain maximum emission for the Stokes shift measurement. The CMC value of cetyltrimethyl ammonium bromide (CTAB), sodium dodecyl sulfate (SDS), Triton X-100, dodecyldimethyl(3-sulfopropyl)ammonium hydroxide (SB-12) evaluated by this approach was found to be 0.98, 7.3, 0.19, and 3.5mM, respectively. The signals of spectra were assigned and explained in terms of both electron transitions between specific molecular orbital and the interaction with solvent.

  3. Nanoparticles in ionic liquids: interactions and organization.

    Science.gov (United States)

    He, Zhiqi; Alexandridis, Paschalis

    2015-07-28

    Ionic liquids (ILs), defined as low-melting organic salts, are a novel class of compounds with unique properties and a combinatorially great chemical diversity. Ionic liquids are utilized as synthesis and dispersion media for nanoparticles as well as for surface functionalization. Ionic liquid and nanoparticle hybrid systems are governed by a combined effect of several intermolecular interactions between their constituents. For each interaction, including van der Waals, electrostatic, structural, solvophobic, steric, and hydrogen bonding, the characterization and quantitative calculation methods together with factors affecting these interactions are reviewed here. Various self-organized structures based on nanoparticles in ionic liquids are generated as a result of a balance of these intermolecular interactions. These structures, including colloidal glasses and gels, lyotropic liquid crystals, nanoparticle-stabilized ionic liquid-containing emulsions, ionic liquid surface-functionalized nanoparticles, and nanoscale ionic materials, possess properties of both ionic liquids and nanoparticles, which render them useful as novel materials especially in electrochemical and catalysis applications. This review of the interactions within nanoparticle dispersions in ionic liquids and of the structure of nanoparticle and ionic liquid hybrids provides guidance on the rational design of novel ionic liquid-based materials, enabling applications in broad areas.

  4. Extraction of S- and N-compounds from the mixture of hydrocarbons by ionic liquids as selective solvents.

    Science.gov (United States)

    Gabrić, Beata; Sander, Aleksandra; Cvjetko Bubalo, Marina; Macut, Dejan

    2013-01-01

    Liquid-liquid extraction is an alternative method that can be used for desulfurization and denitrification of gasoline and diesel fuels. Recent approaches employ different ionic liquids as selective solvents, due to their general immiscibility with gasoline and diesel, negligible vapor pressure, and high selectivity to sulfur- and nitrogen-containing compounds. For that reason, five imidazolium-based ionic liquids and one pyridinium-based ionic liquid were selected for extraction of thiophene, dibenzothiophene, and pyridine from two model solutions. The influences of hydrodynamic conditions, mass ratio, and number of stages were investigated. Increasing the mass ratio of ionic liquid/model fuel and multistage extraction promotes the desulfurization and denitrification abilities of the examined ionic liquids. All selected ionic liquids can be reused and regenerated by means of vacuum evaporation.

  5. Ionic conductivity studies of gel polyelectrolyte based on ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Cha, E.H. [The Faculty of Liberal Arts (Chemistry), Hoseo University, Asan Choongnam 336-795 (Korea); Lim, S.A. [Functional Proteomics Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea); Park, J.H. [Department of Herbal Medicine, Hoseo University, Asan Choongnam 336-795 (Korea); Kim, D.W. [Department of Chemical Technology, Han Bat National University, Daejon 305-719 (Korea); Macfarlane, D.R. [School of Chemistry, Monash University, Clayton, Vic. 3800 (Australia)

    2008-04-01

    Novel lithium polyelectrolyte-ionic liquids have been prepared and characterized of their properties. Poly(lithium 2-acrylamido-2-methyl propanesulfonate) (PAMPSLi) and its copolymer with N-vinyl formamide (VF) also has been prepared as a copolymer. 1-Ethyl-3-methylimidazolium tricyanomethanide (emImTCM) and N,N-dimethyl-N-propyl-N-butyl ammonium tricyanomethanide (N{sub 1134}TCM) which are chosen because of the same with the anion of ionic liquid were prepared. The ionic conductivity of copolymer system (PAMPSLi/PVF/emImTCM: 5.43 x 10{sup -3} S cm{sup -1} at 25 C) exhibits about over four times higher than that of homopolymer system (PAMPSLi/emImTCM: 1.28 x 10{sup -3} S cm{sup -1} at 25 C). Introduction of vinyl formamide into the copolymer type can increase the dissociation of the lithium cations from the polymer backbone. The ionic conductivity of copolymer with emImTCM (PAMPSLi/PVF/emImTCM) exhibits the higher conductivity than that of PAMPSLi/PVF/N{sub 1134}TCM (2.48 x 10{sup -3} S cm{sup -1}). Because of using the polymerizable anion it is seen to maintain high flexibility of imidazolium cation effectively to exhibit the higher conductivity. And also the viscosity of emImTCM (19.56 cP) is lower than that of N{sub 1134}TCM (28.61 cP). Low viscosity leads to a fast rate of diffusion of redox species. (author)

  6. Exploring silver ionic liquids for reaction-based gas sensing on a quartz crystal microbalance.

    Science.gov (United States)

    Li, Hsin-Yi; Hsu, Tzu-Hsuan; Chen, Chien-Yuan; Tseng, Ming-Chung; Chu, Yen-Ho

    2015-09-21

    Reaction-based, sensitive sensing of aldehyde and ketone gases in real time was effectively achieved on QCM chips thin-coated with silver ionic liquids and , respectively. The method platform developed in this work involves straightforward synthesis of functional silver ionic liquids in water, and is label-free and highly chemoselective with superior gas reactivity for and and, most significantly, totally insensitive to moisture.

  7. Involving service users in intervention design: a participatory approach to developing a text-messaging intervention to reduce repetition of self-harm.

    Science.gov (United States)

    Owens, Christabel; Farrand, Paul; Darvill, Ruth; Emmens, Tobit; Hewis, Elaine; Aitken, Peter

    2011-09-01

    OBJECTIVE To engage a group of people with relevant lived experience in the development of a text-messaging intervention to reduce repetition of self-harm. BACKGROUND Contact-based interventions, such as follow-up letters, postcards and telephone calls, have shown potential to reduce repetition of self-harm in those who present at Accident and Emergency departments. Text messaging offers a low-cost alternative that has not been tested. We set out to develop a text-based intervention. The process of intervention development is rarely reported and little is known about the impact of service user involvement on intervention design. METHOD We held a series of six participatory workshops and invited service users and clinicians to help us work out how to get the right message to the right person at the right time, and to simulate and test prototypes of an intervention. RESULTS Service users rejected both the idea of a generic, 'one size fits all' approach and that of 'audience segmentation', maintaining that text messages could be safe and effective only if individualized. This led us to abandon our original thinking and develop a way of supporting individuals to author their own self-efficacy messages and store them in a personal message bank for withdrawal at times of crisis. CONCLUSIONS This paper highlights both the challenge and the impact of involving consumers at the development stage. Working with those with lived experience requires openness, flexibility and a readiness to abandon or radically revise initial plans, and may have unexpected consequences for intervention design.

  8. New Method for the Estimation of Viscosity of Pure and Mixtures of Ionic Liquids Based on the UNIFAC–VISCO Model

    OpenAIRE

    Zhao, Nan; Jacquemin, Johan; Oozeerally, Ryan; Degirmenci, Volkan

    2016-01-01

    A modified UNIFAC–VISCO group contribution method was developed for the correlation and prediction of viscosity of ionic liquids as a function of temperature at 0.1 MPa. In this original approach, cations and anions were regarded as peculiar molecular groups. The significance of this approach comes from the ability to calculate the viscosity of mixtures of ionic liquids as well as pure ionic liquids. Binary interaction parameters for selected cations and anions were determined by fitting the ...

  9. Theoretical approaches to superionic conductivity

    Indian Academy of Sciences (India)

    C S Sunandana; P Senthil Kumar

    2004-02-01

    Recent theoretical approaches to the understanding of superionic conductivity in polycrystalline, glassy and polymeric materials are briefly reviewed. Phase transitions to the superionic conducting state in the AgI family are apparently triggered by cluster formation and strong mobile ion interaction within the clusters. Anomalous conductivity and related physical properties are explained in the cluster induced distortion model. Ionic composites such as AgX : Al2O3 ( = Cl, Br and I) involve conducting and non-conducting phases and the all-important interface between the two whose space charge enhances the conductivity and also trigger phase transitions to exotic polymorphic phases, for which the mechanisms are yet to be explored. Ion hopping dynamics controls the conductivity of superionic glasses. Mode coupling and jump relaxation theories account for the non-Debye relaxation observed in a.c. conductivity of these glasses. The theory of conductivity in polymer electrolytes-still in its infancy-involves their complex structure and glass transition behaviour. Preparative and thermal history, composition and crystallinity control ionic conductivity. New approaches to the synthesis of optimal polymer electrolytes such as rubbery electrolytes, crystalline polymers and nanocomposites must be considered before achieving a comprehensive theoretical understanding.

  10. Externally Wetted Ionic Liquid Thruster

    Science.gov (United States)

    Lozano, P.; Martinez-Sanchez, M.; Lopez-Urdiales, J. M.

    2004-10-01

    This paper presents initial developments of an electric propulsion system based on ionic liquid ion sources (ILIS). Propellants are ionic liquids, which are organic salts with two important characteristics; they remain in the liquid state at room temperature and have negligible vapor pressure, thus allowing their use in vacuum. The working principles of ILIS are similar to those of liquid metal ion sources (LMIS), in which a Taylor cone is electrostatically formed at the tip of an externally wetted needle while ions are emitted directly from its apex. ILIS have the advantage of being able to produce negative ions that have similar masses than their positive counterparts with similar current levels. This opens up the possibility of achieving plume electrical neutrality without electron emitters. The possible multiplexing of these emitters is discussed in terms of achievable thrust density for applications other than micro-propulsion.

  11. Ionic Liquids for Advanced Materials

    Science.gov (United States)

    2008-12-01

    developed characterization set-ups for the electromechanical responses of conductive network/ ionomer composite (CNIC). The overall research goal... glass transition temperature (Tg) with an increase in dielectric constant and ion content. ILs uniquely combine high dielectric constant, low...from 230-440%. Dissociation of ionic aggregates was observed at 85-88 °C in DMA experiments, and the glass transition temperatures increased with

  12. Comparative metalloproteomic approaches for the investigation proteins involved in the toxicity of inorganic and organic forms of mercury in rice (Oryza sativa L.) roots.

    Science.gov (United States)

    Li, Yunyun; Zhao, Jiating; Li, Yu-Feng; Xu, Xiaohan; Zhang, Bowen; Liu, Yongjie; Cui, Liwei; Li, Bai; Gao, Yuxi; Chai, Zhifang

    2016-07-13

    The toxicity mechanisms of rice roots under inorganic mercury (IHg) or methylmercury (MeHg) stress were investigated using metalloproteomic approaches. Rice seedlings were cultivated in nutrient solutions with IHg or MeHg for three weeks. Proteins were extracted from the roots and separated by two-dimensional electrophoresis (2-DE). Differentially expressed proteins were analyzed using ESI-MS/MS and identified by PMF. 26 and 29 protein spots were differentially expressed in the IHg- and MeHg-exposed roots, respectively. The proteins responsive to Hg exposure are involved in antioxidative defense, sulfur and glutathione metabolism, carbohydrate and energy metabolism, programmed cell death, and pathogen defense. Chitinase and salt stress-induced proteins exhibited a greater differentially expression in response to MeHg stress compared to IHg stress. Hg-binding proteins were detected by the combined use of 1-DE, SRXRF, and ESI-MS/MS. The results showed that Hg was bound to proteins of 15-25 kDa in rice roots under Hg stress. The Hg contents in the band under IHg stress were remarkably higher than those under MeHg. Hg binds to proteins, which leads to irreversible damage of root growth. Rice roots changed the related protein expression levels in response to Hg stress. These results may provide new insights into the mechanism of toxicity of IHg and MeHg in rice.

  13. Ionic Liquids to Replace Hydrazine

    Science.gov (United States)

    Koelfgen, Syri; Sims, Joe; Forton, Melissa; Allan, Barry; Rogers, Robin; Shamshina, Julia

    2011-01-01

    A method for developing safe, easy-to-handle propellants has been developed based upon ionic liquids (ILs) or their eutectic mixtures. An IL is a binary combination of a typically organic cation and anion, which generally produces an ionic salt with a melting point below 100 deg C. Many ILs have melting points near, or even below, room temperature (room temperature ionic liquids, RTILs). More importantly, a number of ILs have a positive enthalpy of formation. This means the thermal energy released during decomposition reactions makes energetic ILs ideal for use as propellants. In this specific work, to date, a baseline set of energetic ILs has been identified, synthesized, and characterized. Many of the ILs in this set have excellent performance potential in their own right. In all, ten ILs were characterized for their enthalpy of formation, density, melting point, glass transition point (if applicable), and decomposition temperature. Enthalpy of formation was measured using a microcalorimeter designed specifically to test milligram amounts of energetic materials. Of the ten ILs characterized, five offer higher Isp performance than hydrazine, ranging between 10 and 113 seconds higher than the state-of-the-art propellant. To achieve this level of performance, the energetic cations 4- amino-l,2,4-triazolium and 3-amino-1,2,4-triazolium were paired with various anions in the nitrate, dicyanamide, chloride, and 3-nitro-l,2,4-triazole families. Protonation, alkylation, and butylation synthesis routes were used for creation of the different salts.

  14. On the Chemical Stabilities of Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Yen-Ho Chu

    2009-09-01

    Full Text Available Ionic liquids are novel solvents of interest as greener alternatives to conventional organic solvents aimed at facilitating sustainable chemistry. As a consequence of their unusual physical properties, reusability, and eco-friendly nature, ionic liquids have attracted the attention of organic chemists. Numerous reports have revealed that many catalysts and reagents were supported in the ionic liquid phase, resulting in enhanced reactivity and selectivity in various important reaction transformations. However, synthetic chemists cannot ignore the stability data and intermolecular interactions, or even reactions that are directly applicable to organic reactions in ionic liquids. It is becoming evident from the increasing number of reports on use of ionic liquids as solvents, catalysts, and reagents in organic synthesis that they are not totally inert under many reaction conditions. While in some cases, their unexpected reactivity has proven fortuitous and in others, it is imperative that when selecting an ionic liquid for a particular synthetic application, attention must be paid to its compatibility with the reaction conditions. Even though, more than 200 room temperature ionic liquids are known, only a few reports have commented their effects on reaction mechanisms or rate/stability. Therefore, rather than attempting to give a comprehensive overview of ionic liquid chemistry, this review focuses on the non-innocent nature of ionic liquids, with a decided emphasis to clearly illuminate the ability of ionic liquids to affect the mechanistic aspects of some organic reactions thereby affecting and promoting the yield and selectivity.

  15. Parental Involvement

    OpenAIRE

    Ezra S Simon

    2008-01-01

    This study was conducted in Ghana to investigate, (1) factors that predict parental involvement, (2) the relationship between parental home and school involvement and the educational achievement of adolescents, (3) the relationship between parental authoritativeness and the educational achievement of adolescent students, (4) parental involvement serving as a mediator between their authoritativeness and the educational achievement of the students, and (5) whether parental involvement decreases...

  16. Toxicity of ionic liquids: eco(cyto)activity as complicated, but unavoidable parameter for task-specific optimization.

    Science.gov (United States)

    Egorova, Ksenia S; Ananikov, Valentine P

    2014-02-01

    Rapid progress in the field of ionic liquids in recent decades led to the development of many outstanding energy-conversion processes, catalytic systems, synthetic procedures, and important practical applications. Task-specific optimization emerged as a sharpening stone for the fine-tuning of structure of ionic liquids, which resulted in unprecedented efficiency at the molecular level. Ionic-liquid systems showed promising opportunities in the development of green and sustainable technologies; however, the chemical nature of ionic liquids is not intrinsically green. Many ionic liquids were found to be toxic or even highly toxic towards cells and living organisms. In this Review, we show that biological activity and cytotoxicity of ionic liquids dramatically depend on the nature of a biological system. An ionic liquid may be not toxic for particular cells or organisms, but may demonstrate high toxicity towards another target present in the environment. Thus, a careful selection of biological activity data is a must for the correct assessment of chemical technologies involving ionic liquids. In addition to the direct biological activity (immediate response), several indirect effects and aftereffects are of primary importance. The following principal factors were revealed to modulate toxicity of ionic liquids: i) length of an alkyl chain in the cation; ii) degree of functionalization in the side chain of the cation; iii) anion nature; iv) cation nature; and v) mutual influence of anion and cation.

  17. When genome-based approach meets the ‘old but good’: revealing genes involved in the antibacterial activity of Pseudomonas sp. P482 against soft rot pathogens.

    Directory of Open Access Journals (Sweden)

    Dorota Magdalena Krzyżanowska

    2016-05-01

    Full Text Available Dickeya solani and Pectobacterium carotovorum subsp. brasili¬ense are recently established species of bacterial plant pathogens causing black leg and soft rot of many vegetables and ornamental plants. Pseudomonas sp. strain P482 inhibits the growth of these pathogens, a desired trait considering the limited measures to combat these diseases. In this study, we determined the genetic background of the antibacterial activity of P482, and established the phylogenetic position of this strain.Pseudomonas sp. P482 was classified as Pseudomonas donghuensis. Genome mining revealed that the P482 genome does not contain genes determining the synthesis of known antimicrobials. However, the ClusterFinder algorithm, designed to detect atypical or novel classes of secondary metabolite gene clusters, predicted 18 such clusters in the genome. Screening of a Tn5 mutant library yielded an antimicrobial negative transposon mutant. The transposon insertion was located in a gene encoding an HpcH/HpaI aldolase/citrate lyase family protein. This gene is located in a hypothetical cluster predicted by the ClusterFinder, together with the downstream homologues of four nfs genes, that confer production of a nonfluorescent siderophore by P. donghuensis HYST. Site-directed inactivation of the HpcH/HpaI aldolase gene, the adjacent short chain dehydrogenase gene, as well as a homologue of an essential nfs cluster gene, all abolished the antimicrobial activity of the P482, suggesting their involvement in a common biosynthesis pathway. However, none of the mutants showed a decreased siderophore yield, neither was the antimicrobial activity of the wild type P482 compromised by high iron bioavailability.A genomic region comprising the nfs cluster and three upstream genes is involved in the antibacterial activity of P. donghuensis P482 against D. solani and P. carotovorum subsp. brasiliense. The genes studied are unique to the two known P. donghuensis strains. This study

  18. Prominent roles of impurities in ionic liquid for catalytic conversion of carbohydrates

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Haibo; Brown, Heather M.; Holladay, Johnathan E.; Zhang, Z. Conrad

    2012-02-07

    In the last two decades, ionic liquids have emerged as new and versatile solvents, and many of them are also catalysts for a broad range of catalytic reactions. Certain ionic liquids have been found to possess the unique capability of dissolving cellulosic biomass. The potential of such ionic liquids as solvent to enable catalytic conversion of cellulosic polymers was first explored and demonstrated by Zhao et al. This field of research has since experienced a rapid growth. Most ionic liquids have negligible vapor pressure and excellent thermal stability over a wide temperature range. For example, ionic liquids composed of 1-ethyl-3-methylimidazolium (EMIM+) cation and Cl- anion was reported to be stable up to 285 C, while salts of the same cation with other anions such as BF4- and PF6- are thermally stable above 380 C under inert atmosphere. It is well known that presence of impurities in ionic liquids typically causes changes in physical properties, e.g. decreasing in melting point and viscosity. Addition of Lewis acidic metal chlorides, e.g. AlCl3 to 1-alkyl-3-methylimidazolium chloride, [AMIM]Cl, is an exothermic reaction and considerably reduces the melting point by forming [AMIM]AlCl4 or [AMIM]Al2Cl7 that are also ionic liquids but have much lower melting point than the parent [AMIM]Cl. While most early research on catalysis of ionic liquids involving metallohalide anions were typically conducted from stoichiometric ratio of such anions to organic cations, e.g. [AMIM]+, the use of pure ionic liquids only as a solvent to carry out catalysis by a catalytic amount of a metal halide as catalyst truly displayed the solvent property of such ionic liquids.4 In such reaction systems, catalytic amounts of metal halides were used to catalyze the conversion of glucose and cellulose.4,11,12 The metal chloride catalyst concentration was in the order of 10-3 M. The presence of another metal chloride in the ionic liquids, even in the order of 10-5 M concentration was found

  19. Ionic Liquids: Just Molten Salts After All?

    Directory of Open Access Journals (Sweden)

    Anna K. Croft

    2009-07-01

    Full Text Available While there has been much effort in recent years to characterise ionic liquids in terms of parameters that are well described for molecular solvents, using these to explain reaction outcomes remains problematic. Herein we propose that many reaction outcomes in ionic liquids may be explained by considering the electrostatic interactions present in the solution; that is, by recognising that ionic liquids are salts. This is supported by evidence in the literature, along with studies presented here.

  20. Improved Ionic Liquids as Space Lubricants Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Ionic liquids are candidate lubricant materials. However for application in low temperature space mechanisms their lubrication performance needs to be enhanced. UES...

  1. Self-interaction error in DFT-based modelling of ionic liquids.

    Science.gov (United States)

    Lage-Estebanez, Isabel; Ruzanov, Anton; García de la Vega, José M; Fedorov, Maxim V; Ivaništšev, Vladislav B

    2016-01-21

    The modern computer simulations of potential green solvents of the future, involving the room temperature ionic liquids, heavily rely on density functional theory (DFT). In order to verify the appropriateness of the common DFT methods, we have investigated the effect of the self-interaction error (SIE) on the results of DFT calculations for 24 ionic pairs and 48 ionic associates. The magnitude of the SIE is up to 40 kJ mol(-1) depending on the anion choice. Most strongly the SIE influences the calculation results of ionic associates that contain halide anions. For these associates, the range-separated density functionals suppress the SIE; for other cases, the revPBE density functional with dispersion correction and triple-ζ Slater-type basis is suitable for computationally inexpensive and reasonably accurate DFT calculations.

  2. Sequencing proteins with transverse ionic transport in nanochannels

    CERN Document Server

    Boynton, P

    2015-01-01

    {\\it De novo} protein sequencing is essential for understanding cellular processes that govern the function of living organisms and all post-translational events and other sequence modifications that occur after a protein has been constructed from its corresponding DNA code. By obtaining the order of the amino acids that composes a given protein one can then determine both its secondary and tertiary structures through structure prediction, which is used to create models for protein aggregation diseases such as Alzheimer's Disease. Mass spectrometry is the current technique of choice for {\\it de novo} sequencing. However, because some amino acids have the same mass the sequence cannot be completely determined in many cases. Here, we propose a new technique for {\\it de novo} protein sequencing that involves translocating a polypeptide through a synthetic nanochannel and measuring the ionic current of each amino acid through an intersecting {\\it perpendicular} nanochannel. To calculate the transverse ionic curre...

  3. Sequencing proteins with transverse ionic transport in nanochannels

    Science.gov (United States)

    Boynton, Paul; di Ventra, Massimiliano

    2016-05-01

    De novo protein sequencing is essential for understanding cellular processes that govern the function of living organisms and all sequence modifications that occur after a protein has been constructed from its corresponding DNA code. By obtaining the order of the amino acids that compose a given protein one can then determine both its secondary and tertiary structures through structure prediction, which is used to create models for protein aggregation diseases such as Alzheimer’s Disease. Here, we propose a new technique for de novo protein sequencing that involves translocating a polypeptide through a synthetic nanochannel and measuring the ionic current of each amino acid through an intersecting perpendicular nanochannel. We find that the distribution of ionic currents for each of the 20 proteinogenic amino acids encoded by eukaryotic genes is statistically distinct, showing this technique’s potential for de novo protein sequencing.

  4. Acceleration effect of ionic liquids on polycyclotrimerization of dicyanate esters

    Directory of Open Access Journals (Sweden)

    A. Fainleib

    2016-09-01

    Full Text Available The polycyclotrimerization reaction of dicyanate ester of bisphenol E (DCBE in the presence of varying amounts (from 0.5 to 5 wt% of 1-octyl-3-methylimidazolium tetrafluoroborate ([OMIm][BF4] ionic liquid has been investigated using differential scanning calorimetry (DSC and Fourier transform infrared spectroscopy (FTIR techniques, after a curing stage at 150 °C for 6 h. It is noteworthy that an amount of [OMIm][BF4] as low as 0.5 wt% accelerates dramatically the thermal curing process leading to the formation of a polycyanurate network. The conversion of DCBE increased with increasing [OMIm][BF4] content in the temperature range studied. A reaction mechanism associated with the ionic liquid-catalyzed DCBE polycyclotrimerization is newly proposed via the involvement of a [CN]δ+–[OMIm]δ– complex as a key intermediate.

  5. Biocomposites obtained from wood saw dust using ionic liquids

    Directory of Open Access Journals (Sweden)

    Croitoru Catalin

    2014-12-01

    Full Text Available The paper presents a new method of wood composites obtaining, as a potential alternative to traditional non-ecological processes involving the use of phenol-based resins. The novelty of the method consists in using only two components, namely wood and an alkylimidazolium chloride ionic liquid. A fraction of wood sawdust dissolves in the ionic liquid, and by water addition it precipitates, acting as a natural binder for the remaining wood particles. FTIR and XRD spectroscopy analysis confirmed the presence of the dominating amorphous cellulose II anomer in the structure of the wood composites. By comparing to the reference, the obtained composites present lower wettability and higher resistance to compression

  6. 2008 Molecular and Ionic Clusters - September 7-12, 2008

    Energy Technology Data Exchange (ETDEWEB)

    Jeremy M. Hutson

    2009-09-21

    The Gordon Research Conference on Molecular and Ionic Clusters was held at Centre Paul Langevin, Aussois, France, September 7-12, 2008. The Conference was well-attended with 129 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. The conference covered the spectroscopy, dynamics, and reactivity of a wide range of cluster types and sizes, including helium nanodroplets, metal clusters, ionic clusters, hydrogen-bonded networks, and clusters involving biological molecules. Special sessions on cold-molecule collisions and aerosols are also planned. Both experimental and theoretical aspects of cluster science will be well-represented at the conference.

  7. Community-Involved Learning to Expand Possibilities for Vulnerable Children: A Critical Communicative, Sen's Capability, and Action Research Approach

    Science.gov (United States)

    Kim, Kyung Hi

    2014-01-01

    This research, based on a case study of vulnerable children in Korea, used a mixed methods transformative approach to explore strategies to support and help disadvantaged children. The methodological approach includes three phases: a mixed methods contextual analysis, a qualitative dominant analysis based on Sen's capability approach and…

  8. Predicting critical temperatures of ionic and non-ionic fluids from thermophysical data obtained near the melting point.

    Science.gov (United States)

    Weiss, Volker C

    2015-10-14

    In the correlation and prediction of thermophysical data of fluids based on a corresponding-states approach, the critical temperature Tc plays a central role. For some fluids, in particular ionic ones, however, the critical region is difficult or even impossible to access experimentally. For molten salts, Tc is on the order of 3000 K, which makes accurate measurements a challenging task. Room temperature ionic liquids (RTILs) decompose thermally between 400 K and 600 K due to their organic constituents; this range of temperatures is hundreds of degrees below recent estimates of their Tc. In both cases, reliable methods to deduce Tc based on extrapolations of experimental data recorded at much lower temperatures near the triple or melting points are needed and useful because the critical point influences the fluid's behavior in the entire liquid region. Here, we propose to employ the scaling approach leading to universal fluid behavior [Román et al., J. Chem. Phys. 123, 124512 (2005)] to derive a very simple expression that allows one to estimate Tc from the density of the liquid, the surface tension, or the enthalpy of vaporization measured in a very narrow range of low temperatures. We demonstrate the validity of the approach for simple and polar neutral fluids, for which Tc is known, and then use the methodology to obtain estimates of Tc for ionic fluids. When comparing these estimates to those reported in the literature, good agreement is found for RTILs, whereas the ones for the molten salts NaCl and KCl are lower than previous estimates by 10%. The coexistence curve for ionic fluids is found to be more adequately described by an effective exponent of βeff = 0.5 than by βeff = 0.33.

  9. Surface exploration of a room-temperature ionic liquid-chitin composite film decorated with electrochemically deposited PdFeNi trimetallic alloy nanoparticles by pattern recognition: an elegant approach to developing a novel biotin biosensor.

    Science.gov (United States)

    Gholivand, Mohammad-Bagher; Jalalvand, Ali R; Goicoechea, Hector C; Paimard, Giti; Skov, Thomas

    2015-01-01

    In this study, a novel biosensing system for the determination of biotin (BTN) based on electrodeposition of palladium-iron-nickel (PdFeNi) trimetallic alloy nanoparticles (NPs) onto a glassy carbon electrode (GCE) modified with a room-temperature ionic liquid (RTIL)-chitin (Ch) composite film (PdFeNi/ChRTIL/GCE) is established. NPs have a wide range of applications in science and technology and their sizes are often measured using transmission electron microscopy (TEM) or X-ray diffraction. Here, we used a pattern recognition method (digital image processing, DIP) for measuring particle size distributions (PSDs) from scanning electron microscopic (SEM) images in the presence of an uneven background. Different depositions were performed by varying the number of cyclic potential scans (N) during electroreduction step. It was observed that the physicochemical properties of the deposits were correlated to the performance of the PdFeNi/ChRTIL/GCE with respect to BTN assay. The best results were obtained for eight electrodeposition cyclic scans, where small-sized particles (19.54 ± 6.27 nm) with high density (682 particles µm(-2)) were obtained. Under optimized conditions, a linear range from 2.0 to 44.0 × 10(-9) mol L(-1) and a limit of detection (LOD) of 0.6 × 10(-9) mol L(-1) were obtained. The PdFeNi/ChRTIL nanocomposite showed excellent compatibility, enhanced electron transfer kinetics, large electroactive surface area, and was highly sensitive, selective, and stable toward BTN determination. Finally, the PdFeNi/ChRTIL/GCE was satisfactorily applied to the determination of BTN in infant milk powder, liver, and egg yolk samples.

  10. Interspecies quantitative structure-toxicity-toxicity (QSTTR) relationship modeling of ionic liquids. Toxicity of ionic liquids to V. fischeri, D. magna and S. vacuolatus.

    Science.gov (United States)

    Das, Rudra Narayan; Roy, Kunal; Popelier, Paul L A

    2015-12-01

    Considering the increasing uses of ionic liquids (ILs) in various industrial processes and chemical engineering operations, a complete assessment of their hazardous profile is essential. In the absence of adequate experimental data, in silico modeling might be helpful in filling data gaps for the toxicity of ILs towards various ecological indicator organisms. Using the rationale of taxonomic relatedness, the development of predictive quantitative structure-toxicity-toxicity relationship (QSTTR) models allows predicting the toxicity of ILs to a particular species using available experimental toxicity data towards a different species. Such studies may employ, along with the available experimental toxicity data to a species, molecular structure features and physicochemical properties of chemicals as independent variables for prediction of the toxicity profile against another closely related species. A few such interspecies toxicity correlation models have been reported in the literature for diverse chemicals in general, but this approach has been rarely applied to the class of ionic liquids. The present study involves the use of IL toxicity data towards the bacteria Vibrio fischeri along with molecular structure derived information or computational descriptors like extended topochemical atom (ETA) indices, quantum topological molecular similarity (QTMS) descriptors and computed lipophilicity measure (logk0) for the interspecies exploration of the toxicity data towards green algae S. vacuolatus and crustacea Daphnia magna, separately. This modeling study has been performed in accordance with the OECD guidelines. Finally, predictions for a true external set have been performed to fill the data gap of toxicity towards daphnids and algae using the Vibrio toxicity data and molecular structure attributes.

  11. Involve physicians in marketing.

    Science.gov (United States)

    Randolph, G T; Baker, K M; Laubach, C A

    1984-01-01

    Many everyday problems in medical group practice can be attacked by a marketing approach. To be successful, however, this kind of approach must have the full support of those involved, especially the physicians, since they are the principal providers of healthcare services. When marketing is presented in a broad context, including elements such as patient mix, population distribution, and research, physicians are more likely to be interested and supportive. The members of Geisinger Medical Center's Department of Cardiovascular Medicine addressed their patient appointment backlog problem with a marketing approach. Their method is chronicled here and serves as a fine example of how physician involvement in marketing can lead to a positive outcome.

  12. Concentration Fluctuations and Capacitive Response in Dense Ionic Solutions

    CERN Document Server

    Uralcan, Betul; Debenedetti, Pablo G; Limmer, David T

    2016-01-01

    We use molecular dynamics simulations in a constant potential ensemble to study the effects of solution composition on the electrochemical response of a double layer capacitor. We find that the capacitance first increases with ion concentration following its expected ideal solution behavior but decreases upon approaching a pure ionic liquid. The non-monotonic behavior of the capacitance as a function of ion concentration results from the competition between the independent motion of solvated ions in the dilute regime and solvation fluctuations in the concentrated regime. When charge fluctuations induced by correlated ion-solvent fluctuations are large relative to those induced by the pure ionic liquid, such non-monotonic behavior is expected to be generic.

  13. Syntheses of CuO nanostructures in ionic liquids

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A simple and efficient approach is developed to fabricate single-crystalline CuO nanostructures through an ionic liquid assisted one-step low-temperature solid-state route.Both nanoparticles(5 nm in size)and nanorods(5-10 nm in diameter and 50-100 nm in length)of monoclinic CuO were obtained. These synthesized CuO nanostructures were characterized by X-ray diffraction(XRD),transmission electron microscopy(TEM),selected area electron diffraction(SAED),X-ray photoelectron spectros- copy(XPS),energy dispersive spectroscopy(EDS)and nitrogen adsorption analysis.The morpholo- gies of the nanostructures can be controlled by tuning the amount of NaOH and ionic liquids.The growth mechanism of CuO nanostructures is investigated.

  14. Syntheses of CuO nanostructures in ionic liquids

    Institute of Scientific and Technical Information of China (English)

    WANG Li; ZHAO Bin; YUAN ZhongYong; ZHANG XueJun; Wu QingDuan; CHANG LiXian; ZHENG WenJun

    2007-01-01

    A simple and efficient approach is developed to fabricate single-crystalline CuO nanostructures through an ionic liquid assisted one-step low-temperature solid-state route. Both nanoparticles (5 nm in size) and nanorods (5-10 nm in diameter and 50-100 nm in length) of monoclinic CuO were obtained. These synthesized CuO nanostructures were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), X-ray photoelectron spectroscopy (XPS), energy dispersive spectroscopy (EDS) and nitrogen adsorption analysis. The morphologies of the nanostructures can be controlled by tuning the amount of NaOH and ionic liquids. The growth mechanism of CuO nanostructures is investigated.

  15. Exfoliation of black phosphorus in ionic liquids.

    Science.gov (United States)

    Lee, Miyeon; Roy, Arup Kumer; Jo, Seongho; Choi, Yujin; Chae, Ari; Kim, Bongsoo; Park, Sung Yong; In, Insik

    2017-03-24

    We report the characterization and formation of sonication-assisted liquid phase exfoliation of bulk black phosphorus (BP) crystals with the incorporation of two representative ionic liquids (ILs) ([Emim][Tf2N] and [Bmim][Tf2N]) as green dispersing media was attempted, which resulted in stable dispersion of multi-layer BP flakes with unsuspected high oxidation resistance and chemical/structural integrity due to the presence of IL layer on top of BP flakes. There are two unveiled issues for the generation of BP dispersion in ILs. First, thin films of BP flakes can be simply prepared through our approach. Because self-oxidation of BP in ambient condition can be significantly minimized in ILs, vacuum filtration step can be adopted to produce BP thin films in ambient condition. Second, the binding of IL molecules on BP flakes has been firstly demonstrated by the time-of-flight secondary ion mass spectrometry characterization. In addition to the exploitation of ILs as the green solvents with less environmental harmfulness, IL-based exfoliation of BP might be easily scalable because harsh control of atmospheric oxygen and moisture is unnecessary in this approach.

  16. Exfoliation of black phosphorus in ionic liquids

    Science.gov (United States)

    Lee, Miyeon; Kumer Roy, Arup; Jo, Seongho; Choi, Yujin; Chae, Ari; Kim, Bongsoo; Park, Sung Yong; In, Insik

    2017-03-01

    We report the characterization and formation of sonication-assisted liquid phase exfoliation of bulk black phosphorus (BP) crystals with the incorporation of two representative ionic liquids (ILs) ([Emim][Tf2N] and [Bmim][Tf2N]) as green dispersing media was attempted, which resulted in stable dispersion of multi-layer BP flakes with unsuspected high oxidation resistance and chemical/structural integrity due to the presence of IL layer on top of BP flakes. There are two unveiled issues for the generation of BP dispersion in ILs. First, thin films of BP flakes can be simply prepared through our approach. Because self-oxidation of BP in ambient condition can be significantly minimized in ILs, vacuum filtration step can be adopted to produce BP thin films in ambient condition. Second, the binding of IL molecules on BP flakes has been firstly demonstrated by the time-of-flight secondary ion mass spectrometry characterization. In addition to the exploitation of ILs as the green solvents with less environmental harmfulness, IL-based exfoliation of BP might be easily scalable because harsh control of atmospheric oxygen and moisture is unnecessary in this approach.

  17. Ionic Interactions in Actinide Tetrahalides

    Science.gov (United States)

    Akdeniz, Z.; Karaman, A.; Tosi, M. P.

    2001-05-01

    We determine a model of the ionic interactions in AX 4 compounds (where A is an atom in the actinide series from Th to Am and X = F, Cl, Br or I) by an analysis of data on the static and dynamic structure of their molecular monomers. The potential energy function that we adopt is taken from earlier work on rare-earth trihalides [Z. Akdeniz, Z. Q q e k and M. P. Tosi, Z. Naturforsch. 55a, 861 (2000)] and in particular allows for the electronic polarizability of the actinide ion. This polarizability quantitatively determines the antisymmetric-bending vibrational mode, but its magnitude remains compatible with a symmetric tetrahedral shape of the molecule at equilibrium. The fluorides have an especially high degree of ionic character, and the interionic-force parameters for each halide of the U, Np, Pu and Am series show regular trends, suggesting that extrapolations to the other transuranic-element halides may usefully be made. The Th compounds show some deviations from these trends, and the interionic-force model that we determine for ThCl4 differs somewhat from that obtained in a previous study. We therefore return on the evaluation of the relative stability of charged oligomers of ThCl4 and ZrCl4 and find confirmation of our earlier results on this problem.

  18. Facile Synthesis of Ureas in Ionic Liquid

    Institute of Scientific and Technical Information of China (English)

    Wei Xing QIAN; Feng Yang JU; Yong Min ZHANG; Wei Liang BAO

    2004-01-01

    The reaction of isocyanates with aliphatic and aromatic amines in the 1-n-butyl-3- methylimidazolium tetrafluoroborate (bmimBF4) ionic liquid in good to excellent yields is described. Due to its insolubility, the desired urea solids could be recovered by simple filtration from the ionic liquid after reaction.

  19. Base stable quaternary ammonium ionic liquids

    OpenAIRE

    Lethesh, Kallidanthiyil Chellappan; Dehaen, Wim; Binnemans, Koen

    2014-01-01

    Ionic liquids with the bis(2-ethylhexyl)dimethylammonium cation, [BEDMA]+, were prepared by a halide-free route starting from the readily available secondary amine bis(2-ethylhexyl)amine. The following anions were considered: chloride, bromide, iodide, nitrate, hydrogensulphate, dihydrogenphosphate, formate, acetate, propionate, trifluoroacetate, methyl sulphate, methanesulphonate, tosylate, isonicotinate, nicotinate and picolinate. Several of the compounds are room-temperature ionic liquids,...

  20. Supported Ionic Liquid Phase (SILP) catalysis

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Haumann, Marco;

    2006-01-01

    Applications of ionic liquids to replace conventional solvents in homogeneous transition-metal catalysis have increased significantly during the last decade. Biphasic ionic liquid/organic liquid systems offer advantages with regard to product separation, catalyst stability, and recycling but util...

  1. Chemical and Electrochemical Studies in Ionic Liquids

    Science.gov (United States)

    1990-01-12

    Electrochemistry and Witchcraft ", Gordon Research Conference on Electrochemistry", Santa Barbara, CA, January, 1985. OR. A. Osteryoung, ’An Introduction to...Temperature Chloroaluminate Ionic Liquids: Chemistry, Electrochemistry and Witchcraft ", Chemistry Department Colloquium, University of Alabama...Tuscaloosa, Alabama, December 1, 1988. OR. A. Osteryoung, "Ambient Temperature Chloroaluminate Ionic Liquids: Chemistry, Electrochemistry and Witchcraft

  2. Engineered microorganisms having resistance to ionic liquids

    Science.gov (United States)

    Ruegg, Thomas Lawrence; Thelen, Michael P.

    2016-03-22

    The present invention provides for a method of genetically modifying microorganisms to enhance resistance to ionic liquids, host cells genetically modified in accordance with the methods, and methods of using the host cells in a reaction comprising biomass that has been pretreated with ionic liquids.

  3. Comparison of force fields on the basis of various model approaches--how to design the best model for the [CnMIM][NTf2] family of ionic liquids.

    Science.gov (United States)

    Köddermann, Thorsten; Reith, Dirk; Ludwig, Ralf

    2013-10-07

    In this contribution, we present two new united-atom force fields (UA-FFs) for 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [C(n)MIM][NTf(2)] (n=1, 2, 4, 6, 8) ionic liquids (ILs). One is parametrized manually, and the other is developed with the gradient-based optimization workflow (GROW). By doing so, we wanted to perform a hard test to determine how researchers could benefit from semiautomated optimization procedures. As with our already published all-atom force field (AA-FF) for [C(n)MIM][NTf(2)] (T. Köddermann, D. Paschek, R. Ludwig, ChemPhysChem- 2007, 8, 2464), the new force fields were derived to fit experimental densities, self-diffusion coefficients, and NMR rotational correlation times for the IL cation and for water molecules dissolved in [C(2)MIM][NTf(2)]. In the manual force field, the alkyl chains of the cation and the CF3 groups of the anion were treated as united atoms. In the GROW force field, only the alkyl chains of the cation were united. All other parts of the structures of the ions remained unchanged to prevent any loss of physical information. Structural, dynamic, and thermodynamic properties such as viscosity, cation rotational correlation times, and heats of vaporization calculated with the new force fields were compared with values simulated with the previous AA-FF and the experimental data. All simulated properties were in excellent agreement with the experimental values. Altogether, the UA-FFs are slightly superior for speed-up reasons. The UA-FF speeds up the simulation by about 100 % and reduces the demanded disk space by about 78 %. More importantly, real time and efforts to generate force fields could be significantly reduced by utilizing GROW. The real time for the GROW parametrization in this work was 2 months. Manual parametrization, in contrast, may take up to 12 months, and this is, therefore, a significant increase in speed, though it is difficult to estimate the duration of manual parametrization.

  4. Reduction of Metal Oxide to Metal using Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Ramana Reddy

    2012-04-12

    A novel pathway for the high efficiency production of metal from metal oxide means of electrolysis in ionic liquids at low temperature was investigated. The main emphasis was to eliminate the use of carbon and high temperature application in the reduction of metal oxides to metals. The emphasis of this research was to produce metals such as Zn, and Pb that are normally produced by the application of very high temperatures. The reduction of zinc oxide to zinc and lead oxide to lead were investigated. This study involved three steps in accomplishing the final goal of reduction of metal oxide to metal using ionic liquids: 1) Dissolution of metal oxide in an ionic liquid, 2) Determination of reduction potential using cyclic voltammetry (CV) and 3) Reduction of the dissolved metal oxide. Ionic liquids provide additional advantage by offering a wide potential range for the deposition. In each and every step of the process, more than one process variable has been examined. Experimental results for electrochemical extraction of Zn from ZnO and Pb from PbO using eutectic mixtures of Urea ((NH2)2CO) and Choline chloride (HOC2H4N(CH3)3+Cl-) or (ChCl) in a molar ratio 2:1, varying voltage and temperatures were carried out. Fourier Transform Infra-Red (FTIR) spectroscopy studies of ionic liquids with and without metal oxide additions were conducted. FTIR and induction coupled plasma spectroscopy (ICPS) was used in the characterization of the metal oxide dissolved ionic liquid. Electrochemical experiments were conducted using EG&G potentiostat/galvanostat with three electrode cell systems. Cyclic voltammetry was used in the determination of reduction potentials for the deposition of metals. Chronoamperometric experiments were carried out in the potential range of -0.6V to -1.9V for lead and -1.4V to -1.9V for zinc. The deposits were characterized using XRD and SEM-EDS for phase, morphological and elemental analysis. The results showed that pure metal was deposited on the cathode

  5. First title: Ionic liquids-useful reaction green solvents for the future Second title: ionic liquids are the replacements for environmentally damaging solvents in a wide range of chemical processes.

    Directory of Open Access Journals (Sweden)

    K.Vijaya Bhaskar

    2012-09-01

    "designer solvents”. This means that their properties can be adjusted to suit the requirements of a particular process. Properties such as melting point, viscosity, density, and hydrophobicity can be varied by simple changes to the structure of the ions. For example, the melting points of 1-alkyl-3-methylimidazolium tetrafluoroborates and hexafluorophosphates are a function of the length of the 1-alkyl group, and form liquid crystalline phases for alkyl chain lengths over 12 carbon atoms. Another important property that changes with structure is the miscibility of water in these ionic liquids. For example, 1-alkyl-3-methylimidazolium tetrafluoroborate salts are miscible with water at 25 °C where the alkyl chain length is less than 6, but at or above 6 carbon atoms, they form a separate phase when mixed with water. This behaviour can be of substantial benefit when carrying out solvent extractions or product separations, as the relative solubility’s of the ionic and extraction phase can be adjusted to make the separation as easy as possible. In addition, ionic liquids have practically no vapour pressure which facilitates product separation by distillation. There are also indications that switching from a normal organic solvent to an ionic liquid can lead to novel and unusual chemical reactivity. This opens up a wide field for future investigations into this new class of solvents in catalytic applications. Research into ionic liquids is booming. The first industrial process involving ionic liquids was announced in March 2003, and the potential of ionic liquids for new chemical technologies is beginning to be recognized. One of the primary driving forces behind research into ionic liquids is the perceived benefit of substituting traditional industrial solvents, most of which are volatile organic compounds (VOCs, with non-volatile ionic liquids. Replacement of conventional solvents by ionic liquids would prevent the emission of VOCs, a major source of environmental

  6. Liquid-Mercury-Supported Langmuir Films of Ionic Liquids: Isotherms, Structure, and Time Evolution.

    Science.gov (United States)

    Elfassy, Eitan; Mastai, Yitzhak; Pontoni, Diego; Deutsch, Moshe

    2016-04-05

    Ionic liquids have been intensively developed for the last few decades and are now used in a wide range of applications, from electrochemistry to catalysis and nanotechnology. Many of these applications involve ionic liquid interfaces with other liquids and solids, the subnanometric experimental study of which is highly demanding, and has been little studied to date. We present here a study of mercury-supported Langmuir films of imidazolium-based ionic liquids by surface tensiometry and X-ray reflectivity. The charge-delocalized ionic liquids studied here exhibit no 2D lateral order but show diffuse surface-normal electron density profiles exhibiting gradual mercury penetration into the ionic liquid film, and surface-normal structure evolution over a period of hours. The effect of increasing the nonpolar alkyl chain length was also investigated. The results obtained provide insights into the interactions between these ionic liquids and liquid mercury and about the time evolution of the structure and composition of their interface.

  7. Imidiazolium based ionic liquids: effects of different anions and alkyl chains lengths on the barley seedlings.

    Science.gov (United States)

    Cvjetko Bubalo, Marina; Hanousek, Karla; Radošević, Kristina; Gaurina Srček, Višnja; Jakovljević, Tamara; Radojčić Redovniković, Ivana

    2014-03-01

    We studied the effects of five imidiazolium based ionic liquids with different anions and length of alkyl chains linked to imidazolium ring on the early development of barley (Hordeum vulgare). The inhibitory effect depends on the ionic liquids concentration and chemical structure, whereby the most toxic one was [C10mim][Br], followed by [C7mim][Br], [C4mim][Br], [C4mim][CH3CO2] and [C4mim][BF4]. Both anion and cation structures affected the toxicity of ionic liquid indicating that selection of more biocompatible anions such as [CH3CO2] does not necessarily indicate lower toxicity. Alternation in the extent of oxidative stress and antioxidant enzymes activities were found in barley plants due to ionic liquid treatments. When seedlings were exposed to higher concentrations of ionic liquids, antioxidant system could not effectively remove reactive oxidative species, leading to lipid peroxidation and damage of the photosynthetic system. However, overall data indicated that the performance of barley seedling was improved when all measured enzymes involved in scavenging of reactive oxygen species (ROS) were increased with special emphasis on GPX activities. Since there are no studies about ionic liquid (IL) toxicity in plants, that simultaneously evaluates the antioxidative enzyme system in response to different ILs, this work is valuable for gaining knowledge about the protection mechanism of plants from oxidative stress caused by IL exposure.

  8. Preparation of metal oxide nanoparticles in ionic liquid medium

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Cabo, Borja; Rodil, Eva; Soto, Ana; Arce, Alberto, E-mail: alberto.arce@usc.es [University of Santiago de Compostela, Department of Chemical Engineering, School of Engineering (Spain)

    2012-07-15

    In the present study, a facile, rapid, and environmentally friendly method was used for the preparation of metal oxide nanoparticles in an ionic liquid medium. This technique involves mixing and heating the corresponding powder material (cadmium oxide, anatase, and hematite) and the selected ionic liquid (trihexyl(tetradecyl)phosphonium chloride, [P{sub 6,6,6,14}]Cl), without any other precursors or solvents. The confirmation of the existence of nanoparticles in the ionic liquid was carried out using UV-Vis absorption spectroscopy, and its concentration was determined by X-ray fluorescence. In order to analyze the shape and size distribution, transmission electron microscopy and a ZetaSizer (DLS technique) were used; finding out that the size of the hematite nanoparticles was 10-55 nm. Nevertheless, for the cadmium oxide and the anatase nanoparticles, the size was between 2 and 15 nm. The composition of the prepared nanoparticles was studied by Raman spectroscopy. The structure of solids did not suffer any modification in their transformation to the nanoscale, as concluded from the X-ray powder diffraction analysis.

  9. Chiral ionic liquid/ESI-MS methodology as an efficient tool for the study of transformations of supported organocatalysts: deactivation pathways of Jørgensen-Hayashi-type catalysts in asymmetric Michael reactions.

    Science.gov (United States)

    Maltsev, Oleg V; Chizhov, Alexander O; Zlotin, Sergei G

    2011-05-23

    The deactivation pathways of Jørgensen-Hayashi-type organocatalysts modified with an ionic liquid fragment in asymmetric Michael reactions of α,β-enals with C- (nitromethane, dimethylmalonate) or N-nucleophiles (N-carbobenzyloxyhydroxylamine) that involved an iminium-ion formation step were studied for the first time by the electrospray ionization mass spectrometry (ESI-MS). "Parasitic" side reactions and undesirable cation intermediates that poisoned the catalysts were identified in accordance with their m/z values as well as their relation to the reported mechanisms of Michael reactions in the presence of O-TMS-α,α-diarylprolinol (TMS=trimethylsilyl) derivatives. The proposed approach may be useful for the study of transformations of other types of organocatalysts modified with ionic groups in various organocatalytic reactions and for the development of novel robust catalysts and processes that would be suitable for large-scale industrial applications.

  10. C-alkylation of 1,3-Dicarbonyl Compounds in Ionic Liquids%离子液体中二羰基化合物的烷基化反应

    Institute of Scientific and Technical Information of China (English)

    邵国强

    2003-01-01

    When used in place of classical organic solvents, ionic liquids offer a new and environmentally friend approach to the solvents in modern chemistry. A convenient and highly practical procedure for C-alkylation of 1,3-dicarbonyl compounds has been developed involving the use of ionic liquid based on 1-butylpyridinum tetrafluoroborate.%为取代传统的有机溶剂,离子液体将为现代化学溶剂提供一种新颖而环境友好的选择.以1-丁基吡啶四氟硼酸盐为离子液体,实现了1,3-二羰基化合物的烷基化反应,提供了一种既方便又实用的操作方法.

  11. The first molecular level monitoring of carbohydrate conversion to 5-hydroxymethylfurfural in ionic liquids. B2O3--an efficient dual-function metal-free promoter for environmentally benign applications.

    Science.gov (United States)

    Khokhlova, Elena A; Kachala, Vadim V; Ananikov, Valentine P

    2012-04-01

    The mechanistic nature of the conversion of carbohydrates to the sustainable platform chemical 5-hydroxymethylfurfural (5-HMF) was revealed at the molecular level. A detailed study of the key sugar units involved in the biomass conversion process has shown that the simple dissolution of fructose in the ionic liquid 1-butyl-3-methylimidazolium chloride significantly changes the anomeric composition and favors the formation of the open fructoketose form. A special NMR approach was developed for the determination of molecular structures and monitoring of chemical reactions directly in ionic liquids. The transformation of glucose to 5-HMF has been followed in situ through the detection of intermediate species. A new environmentally benign, easily available, metal-free promoter with a dual functionality (B(2)O(3)) was developed for carbohydrate conversion to 5-HMF.

  12. Lattice models of ionic systems

    Science.gov (United States)

    Kobelev, Vladimir; Kolomeisky, Anatoly B.; Fisher, Michael E.

    2002-05-01

    A theoretical analysis of Coulomb systems on lattices in general dimensions is presented. The thermodynamics is developed using Debye-Hückel theory with ion-pairing and dipole-ion solvation, specific calculations being performed for three-dimensional lattices. As for continuum electrolytes, low-density results for simple cubic (sc), body-centered cubic (bcc), and face-centered cubic (fcc) lattices indicate the existence of gas-liquid phase separation. The predicted critical densities have values comparable to those of continuum ionic systems, while the critical temperatures are 60%-70% higher. However, when the possibility of sublattice ordering as well as Debye screening is taken into account systematically, order-disorder transitions and a tricritical point are found on sc and bcc lattices, and gas-liquid coexistence is suppressed. Our results agree with recent Monte Carlo simulations of lattice electrolytes.

  13. Community involvement

    Directory of Open Access Journals (Sweden)

    Editorial Office

    1979-09-01

    Full Text Available Community involvement is the main theme of Health Year. Governments have a responsibility for the health of their people, and in this country under the present 3-tier system of government, the responsibility for the rendering of health services is divided between central, provincial and local government. However, under our democratic system, all people have the right to, and it is indeed their duty, to participate individually and collectively in the planning and implementation of services to meet their health needs. Ultimately, through involvement of individuals, families and communities, greater self-reliance is achieved leading to greater responsibility being assumed by people for their own health.

  14. Microwave-assisted preparation of poly(ionic liquids)-modified magnetic nanoparticles for pesticide extraction.

    Science.gov (United States)

    Zhang, Ruizhe; Su, Ping; Yang, Lu; Yang, Yi

    2014-06-01

    Novel poly(ionic liquids) were synthesized and immobilized on prepared magnetic nanoparticles, which were used to extract pesticides from fruit and vegetable samples by dispersive solid-phase extraction prior to high-performance liquid chromatography analysis. Compared with monomeric ionic liquids, poly(ionic liquids) have a larger effective contact area and higher viscosity, so they can achieve higher extraction efficiency and be used repeatedly without a decrease in analyte recovery. The immobilized poly(ionic liquids) were rapidly separated from the sample matrix, providing a simple approach for sample pretreatment. The nature and volume of the desorption solvent and amount of poly(ionic liquid)-modified magnetic material were optimized for the extraction process. Under optimum conditions, calibration curves were linear (R(2) > 0.9988) for pesticide concentrations in the range of 0.100-10.000 μg/L. The relative standard deviations for repeated determinations of the four analytes were 2.29-3.31%. The limits of detection and quantification were 0.29-0.88 and 0.97-2.93 μg/L, respectively. Our results demonstrate that the developed poly(ionic liquid)-modified material is an effective absorbent to extract pesticides from fruit and vegetable samples.

  15. Enhanced Mixed Feedstock Processing Using Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Simmons, Blake A [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

    2016-10-22

    Biomass pretreatment using certain ionic liquids (ILs) is very efficient, generally producing a substrate that is amenable to saccharification with fermentable sugar yields approaching theoretical limits. Although promising, several challenges must be addressed before IL pretreatment technology becomes commercially viable. Once of the most significant challenges is the affordable and scalable recovery and recycle or the IL itself. Pervaporation is a highly selective and scalable membrane separation process for quantitatively recovering volatile solutes or solvents directly from non-volatile solvents that could prove more versatile for IL dehydration than traditional solvent extraction processes, as well as efficient and energetically more advantageous than standard evaporative techniques. In this study we evaluated a commercially available pervaporation system for IL dehydration and recycling as part of an integrated IL pretreatment process using 1-ethyl-3-methylimidazolium acetate ([C2C1Im][OAc]) that has been proven to be very effective as a biomass pretreatment solvent. We demonstrate that >99.9 wt% [C2C1Im][OAc] can be recovered from aqueous solution and recycled at least five times. A preliminary techno-economic analysis validated the promising role of pervaporation in improving overall biorefinery process economics, especially in the case where other IL recovery technologies might lead to significant losses. These findings establish the foundation for further development of pervaporation as an effective method of recovering and recycling ILs using a commercially viable process technology.

  16. Quantized friction across ionic liquid thin films

    Science.gov (United States)

    Smith, Alexander M.; Lovelock, Kevin R. J.; Gosvami, Nitya Nand; Welton, Tom; Perkin, Susan

    Ionic liquids, salts in the liquid state under ambient conditions, are of great interest as precision lubricants. Ionic liquids form layered structures at surfaces, yet it is not clear how this nano-structure relates to their lubrication properties. We measured the friction force between atomically smooth solid surfaces across ionic liquid films of controlled thickness in terms of the number of ion layers. Multiple friction-load regimes emerge, each corresponding to a different number of ion layers in the film. In contrast to molecular liquids, the friction coefficients differ for each layer due to their varying composition.

  17. Quantized friction across ionic liquid thin films.

    Science.gov (United States)

    Smith, Alexander M; Lovelock, Kevin R J; Gosvami, Nitya Nand; Welton, Tom; Perkin, Susan

    2013-10-07

    Ionic liquids - salts in the liquid state under ambient conditions - are of great interest as precision lubricants. Ionic liquids form layered structures at surfaces, yet it is not clear how this nano-structure relates to their lubrication properties. We measured the friction force between atomically smooth solid surfaces across ionic liquid films of controlled thickness in terms of the number of ion layers. Multiple friction-load regimes emerge, each corresponding to a different number of ion layers in the film. In contrast to molecular liquids, the friction coefficients differ for each layer due to their varying composition.

  18. Alkaline ionic liquids applied in supported ionic liquid catalyst for selective hydrogenation of citral to citronellal

    Directory of Open Access Journals (Sweden)

    Eero eSalminen

    2014-02-01

    Full Text Available The challenge in preparation of ionic liquids containing a strong alkaline anion is to identify a suitable cation which can tolerate the harsh conditions induced by the anion. In this study, a commercial quaternary ammonium compound (quat benzalkonium [ADBA] (alkyldimethylbenzylammonium was used as a cation in the synthesis of different alkaline ionic liquids. In fact, the precursor, benzalkonium chloride, is a mixture of alkyldimethylbenzylammonium chlorides of various alkyl chain lengths and is commonly used in the formulation of various antiseptic products. The prepared ionic liquids were utilized as Supported Ionic Liquid Catalysts (SILCAs. Typically, a SILCA contains metal nanoparticles, enzymes or metal complexes in an ionic liquid layer which is immobilized on a solid carrier material such as an active carbon cloth (ACC. The catalysts were applied in the selective hydrogenation of citral to citronellal which is an important perfumery chemical. Interestingly, 70 % molar yield towards citronellal was achieved over a catalyst containing the alkaline ionic liquid benzalkonium methoxide.

  19. Alkaline ionic liquids applied in supported ionic liquid catalyst for selective hydrogenation of citral to citronellal

    Science.gov (United States)

    Salminen, Eero; Virtanen, Pasi; Mikkola, Jyri-Pekka

    2014-02-01

    The challenge in preparation of ionic liquids containing a strong alkaline anion is to identify a suitable cation which can tolerate the harsh conditions induced by the anion. In this study, a commercial quaternary ammonium compound (quat) benzalkonium [ADBA] (alkyldimethylbenzylammonium) was used as a cation in the synthesis of different alkaline ionic liquids. In fact, the precursor, benzalkonium chloride, is a mixture of alkyldimethylbenzylammonium chlorides of various alkyl chain lengths and is commonly used in the formulation of various antiseptic products. The prepared ionic liquids were utilized as Supported Ionic Liquid Catalysts (SILCAs). Typically, a SILCA contains metal nanoparticles, enzymes or metal complexes in an ionic liquid layer which is immobilized on a solid carrier material such as an active carbon cloth (ACC). The catalysts were applied in the selective hydrogenation of citral to citronellal which is an important perfumery chemical. Interestingly, 70 % molar yield towards citronellal was achieved over a catalyst containing the alkaline ionic liquid benzalkonium methoxide.

  20. Ionic conductivity of polymer gels deriving from alkali metal ionic liquids and negatively charged polyelectrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Ogihara, Wataru; Yoshizawa, Masahiro; Ohno Hiroyuki [Tokyo University of Agriculture and Technology (Japan). Dept. of Biotechnology; Sun, Jiazeng; Forsyth, M. [Monash University, Clayton (Australia). School of Materials Engineering; MacFarlane, D.R. [Monash University, Clayton (Australia). School of Chemistry

    2004-04-30

    We have prepared polymer gel electrolytes with alkali metal ionic liquids (AMILs) that inherently contain alkali metal ions. The AMIL consisted of sulfate anion, imidazolium cation, and alkali metal cation. AMILs were mixed directly with poly(3-sulfopropyl acrylate) lithium salt or poly(2-acrylamido-2-methylpropanesulfonic acid) lithium salt to form polymer gels. The ionic conductivity of these gels decreased with increasing polymer fraction, as in general ionic liquid/polymer mixed systems. At low polymer concentrations, these gels displayed excellent ionic conductivity of 10{sup -4} to 10{sup -3} S cm{sup -1} at room temperature. Gelation was found to cause little change in the {sup 7}Li diffusion coefficient of the ionic liquid, as measured by pulse-field-gradient NMR. These data strongly suggest that the lithium cation migrates in successive pathways provided by the ionic liquids. (author)

  1. Rapid Preparation Methods of Biological Samples for Ionic Compounds Using Ion Exchange Type Monolithic Silica Spin Column

    OpenAIRE

    宮崎, 将太; 山田, 智子; 太田, 茂徳; 斉藤, 剛; 奈女良, 昭; 大平, 真義

    2010-01-01

    We developed a device comprising a spin column packed with ion exchange type (SCX and SAX) monolithic silica for extracting ionic compounds from biological samples. The methods involving the use of these spin column are not useful for the extraction of ionic analytes, but are highly reproducible for the analysis in serum and urine. This spin column enabled sample preparation in less than 10 min. Handling such as sample loading, washing, and elution of analytes, was exhibited by the centrifuga...

  2. Application of ionic liquids based enzyme-assisted extraction of chlorogenic acid from Eucommia ulmoides leaves

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Tingting; Sui, Xiaoyu, E-mail: suixiaoyu@outlook.com; Li, Li; Zhang, Jie; Liang, Xin; Li, Wenjing; Zhang, Honglian; Fu, Shuang

    2016-01-15

    A new approach for ionic liquid based enzyme-assisted extraction (ILEAE) of chlorogenic acid (CGA) from Eucommia ulmoides is presented in which enzyme pretreatment was used in ionic liquids aqueous media to enhance extraction yield. For this purpose, the solubility of CGA and the activity of cellulase were investigated in eight 1-alkyl-3-methylimidazolium ionic liquids. Cellulase in 0.5 M [C6mim]Br aqueous solution was found to provide better performance in extraction. The factors of ILEAE procedures including extraction time, extraction phase pH, extraction temperatures and enzyme concentrations were investigated. Moreover, the novel developed approach offered advantages in term of yield and efficiency compared with other conventional extraction techniques. Scanning electronic microscopy of plant samples indicated that cellulase treated cell wall in ionic liquid solution was subjected to extract, which led to more efficient extraction by reducing mass transfer barrier. The proposed ILEAE method would develope a continuous process for enzyme-assisted extraction including enzyme incubation and solvent extraction process. In this research, we propose a novel view for enzyme-assisted extraction of plant active component, besides concentrating on enzyme facilitated cell wall degradation, focusing on improvement of bad permeability of ionic liquids solutions. - Highlights: • An ionic liquid based enzyme-assisted extraction method of natural product was explored. • ILEAE utilizes enzymatic treatment to improve permeability of ionic liquids solution. • Enzyme incubation and solvent extraction process were ongoing simultaneously. • ILEAE process simplified operating process and suitable for more complete extraction.

  3. Ionic liquid-nanoparticle hybrid electrolytes

    KAUST Repository

    Lu, Yingying

    2012-01-01

    We investigate physical and electrochemical properties of a family of organic-inorganic hybrid electrolytes based on the ionic liquid 1-methyl-3-propylimidazolium bis(trifluoromethanesulfone) imide covalently tethered to silica nanoparticles (SiO 2-IL-TFSI). The ionic conductivity exhibits a pronounced maximum versus LiTFSI composition, and in mixtures containing 13.4 wt% LiTFSI, the room-temperature ionic conductivity is enhanced by over 3 orders of magnitude relative to either of the mixture components, without compromising lithium transference number. The SiO 2-IL-TFSI/LiTFSI hybrid electrolytes are thermally stable up to 400°C and exhibit tunable mechanical properties and attractive (4.25V) electrochemical stability in the presence of metallic lithium. We explain these observations in terms of ionic coupling between counterion species in the mobile and immobile (particle-tethered) phases of the electrolytes. © 2012 The Royal Society of Chemistry.

  4. Thermodynamic Analysis of Ionic Compounds: Synthetic Applications.

    Science.gov (United States)

    Yoder, Claude H.

    1986-01-01

    Shows how thermodynamic cycles can be used to understand trends in heats of formation and aqueous solubilities and, most importantly, how they may be used to choose synthetic routes to new ionic compounds. (JN)

  5. Selective gas absorption by ionic liquids

    DEFF Research Database (Denmark)

    Shunmugavel, Saravanamurugan; Kegnæs, Søren; Due-Hansen, Johannes;

    2010-01-01

    Reversible absorption performance for the flue gas components CO 2, NO and SO2 has been tested for several different ionic liquids (ILs) at different temperatures and flue gas compositions. Furthermore, different porous, high surface area carriers have been applied as supports for the ionic liquids...... to obtain Supported Ionic Liquid-Phase (SILP) absorber materials. The use of solid SILP absorbers with selected ILs were found to significantly improve the absorption capacity and sorption dynamics at low flue gas concentration, thus making the applicability of ILs viable in technical, continuous flow...... processes for flue gas cleaning. The results show that CO 2, NO and SO2 can be reversible and selective absorbed using different ILs and that Supported Ionic Liquid-Phase (SILP) absorbers are promising materials for industrial flue gas cleaning. Absorption/desorption dynamics can be tuned by temperatures...

  6. Nanoscale Ionic Aggregate Morphology in Zwitterionic Copolymers

    Science.gov (United States)

    Choi, Jae-Hong; Huyck, Rebecca; Salas-de La Cruz, David; Long, Timothy E.; Winey, Karen I.

    2009-03-01

    The morphology of two different zwitterionic copolymers, poly(sulfobetaine methacrylate-ran-butyl acrylate), and poly(sulfobetaine methacrylamide-ran-butyl acrylate) are investigated as a function of the mol % content of SBMA (7 and 9 mol %) and SBMAm (6, 10 and 13 mol %), respectively. In both copolymers, X-ray scattering results show a new structure in the material arising from ionic aggregates. The sizes of the ionic aggregates are obtained through the scattering model. The sizes of the ionic aggregates increase as the ion content increases. The application of scanning transmission electron microscopy to the study of ionomer morphology has enabled direct, model-independent visualization of the ionic aggregates. The correlation between X-ray scattering results and the real space imaging for morphology of these zwitterionic copolymers will be presented.

  7. Phosphonium-based ionic liquids and uses

    Energy Technology Data Exchange (ETDEWEB)

    Del Sesto, Rico E; Koppisch, Andrew T; Lovejoy, Katherine S; Purdy, Geraldine M

    2014-12-30

    Phosphonium-based room temperature ionic liquids ("RTILs") were prepared. They were used as matrices for Matrix-Assisted Laser Desorption Ionization (MALDI) mass spectrometry and also for preparing samples of dyes for analysis.

  8. Polarization versus Temperature in Pyridinium Ionic Liquids

    DEFF Research Database (Denmark)

    Chaban, V. V.; Prezhdo, O. V.

    2014-01-01

    Electronic polarization and charge transfer effects play a crucial role in thermodynamic, structural, and transport properties of room-temperature ionic liquids (RTILs). These nonadditive interactions constitute a useful tool for tuning physical chemical behavior of RTILs. Polarization and charge...

  9. Ionic Liquid Epoxy Composite Cryotanks Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of this work is to determine the optimal process for manufacturing lightweight linerless cryogenic storage tanks using ionic liquid epoxy composite...

  10. Separating closely resembling steroids with ionic liquids in liquid-liquid extraction systems

    NARCIS (Netherlands)

    Vitasari, C.R.; Gramblicka, M.; Gibcus, K.; Visser, T.J.; Geertman, R.M.; Schuur, B.

    2015-01-01

    Separation of steroids by liquid–liquid extraction with ionic liquids (ILs) as solvent was studied both experimentally and by simulation using a model mixture of progesterone and pregnenolone. The studies involved a solvent screening using COSMO-RS software for estimation of progesterone solubility.

  11. Developing Empathetic Skills among Teachers and Learners in High Schools in Tshwane: An Inter-Generational Approach Involving People with Dementia

    Science.gov (United States)

    Alant, Erna; Geyer, Stephan; Verde, Michael

    2015-01-01

    This article describes the implementation and outcomes of an experiential learning approach to facilitate the development of empathetic skills among teachers and learners at two high schools in Tshwane, South Africa. An inter-generational training programme, the Memory Bridge Initiative (MBI), aimed at exposing participants to interactions with…

  12. LncRNA pathway involved in premature preterm rupture of membrane (PPROM: an epigenomic approach to study the pathogenesis of reproductive disorders.

    Directory of Open Access Journals (Sweden)

    Xiucui Luo

    Full Text Available Preterm birth (PTB is a live birth delivered before 37 weeks of gestation (GW. About one-third of PTBs result from the preterm premature rupture of membranes (PPROM. Up to the present, the pathogenic mechanisms underlying PPROM are not clearly understood. Here, we investigated the differential expression of long chain non-coding RNAs (lncRNAs in placentas of PTBs with PPROM, and their possible involvement in the pathogenic pathways leading to PPROM. A total number of 1954, 776, and 1050 lncRNAs were identified with a microarray from placentas of PPROM (group A, which were compared to full-term birth (FTB (group B, PTB (group C, and premature rupture of membrane (PROM (group D at full-term, respectively. Instead of investigating the individual pathogenic role of each lncRNA involved in the molecular mechanism underlying PPROM, we have focused on investigating the metabolic pathways and their functions to explore what is the likely association and how they are possibly involved in the development of PPROM. Six groups, including up-regulation and down-regulation in the comparisons of A vs. B, A vs. C, and A vs. D, of pathways were analyzed. Our results showed that 22 pathways were characterized as up-regulated 7 down-regulated in A vs. C, 18 up-regulated and 15 down-regulated in A vs. D, and 33 up-regulated and 7 down-regulated in A vs. B. Functional analysis showed pathways of infection and inflammatory response, ECM-receptor interactions, apoptosis, actin cytoskeleton, and smooth muscle contraction are the major pathogenic mechanisms involved in the development of PPROM. Characterization of these pathways through identification of lncRNAs opened new avenues for further investigating the epigenomic mechanisms of lncRNAs in PPROM as well as PTB.

  13. Combined intra-extracanal approach to lumbosacral disc herniations with bi-radicular involvement. Technical considerations from a surgical series of 15 cases.

    Science.gov (United States)

    Paolini, Sergio; Ciappetta, Pasquale; Raco, Antonino; Missori, Paolo; Delfini, Roberto

    2006-05-01

    Large lumbosacral disc herniations effacing both the paramedian and the foraminal area often cause double radicular compression. Surgical management of these lesions may be difficult. A traditional interlaminar approach usually brings into view only the paramedian portion of the intervertebral disc, unless the lateral bone removal is considerably increased. Conversely, the numerous far-lateral approaches proposed for removing foraminal or extraforaminal disc herniations would decompress the exiting nerve root only. Overall, these approaches share the drawback of controlling the neuroforamen on one side alone. A combined intra-extraforaminal exposure is a useful yet rarely reported approach. Over a 3-year period, 15 patients with bi-radicular symptoms due to large disc herniations of the lumbar spine underwent surgery through a combined intra-extracanal approach. A standard medial exposure with an almost complete hemilaminectomy of the upper vertebra was combined with an extraforaminal exposure, achieved by minimal drilling of the inferior facet joint, the lateral border of the pars interarticularis and the inferior margin of the superior transverse process. The herniated discs were removed using key maneuvers made feasible by working simultaneously on both operative windows. In all cases the disc herniation could be completely removed, thus decompressing both nerve roots. Radicular pain was fully relieved without procedure-related morbidity. The intra-extraforaminal exposure was particularly useful in identifying the extraforaminal nerve root early. Early identification was especially advantageous when periradicular scar tissue hid the nerve root from view, as it did in patients who had undergone previous surgery at the same site or had long-standing radicular symptoms. Controlling the foramen on both sides also reduced the risk of leaving residual disc fragments. A curved probe was used to push the disc material outside the foramen. In conclusion, specific

  14. Fast Ignition and Sustained Combustion of Ionic Liquids

    Science.gov (United States)

    Joshi, Prakash B. (Inventor); Piper, Lawrence G. (Inventor); Oakes, David B. (Inventor); Sabourin, Justin L. (Inventor); Hicks, Adam J. (Inventor); Green, B. David (Inventor); Tsinberg, Anait (Inventor); Dokhan, Allan (Inventor)

    2016-01-01

    A catalyst free method of igniting an ionic liquid is provided. The method can include mixing a liquid hypergol with a HAN (Hydroxylammonium nitrate)-based ionic liquid to ignite the HAN-based ionic liquid in the absence of a catalyst. The HAN-based ionic liquid and the liquid hypergol can be injected into a combustion chamber. The HAN-based ionic liquid and the liquid hypergol can impinge upon a stagnation plate positioned at top portion of the combustion chamber.

  15. A novel family of green ionic liquids with surface activities

    Institute of Scientific and Technical Information of China (English)

    ZHANG HaiBo; ZHOU XiaoHai; DONG JinFeng; ZHANG GaoYong; WANG CunXin

    2007-01-01

    Ionic liquids have many unique properties as a new and remarkable class of environmental benign solvents, which promises widespread applications in industry and other areas. However, the ionic liquids with surface activity are rarely reported. In this work, a series of novel ionic liquids was synthesized by using N-methyl-2-pyrrolidone and alkyl bromide. The physical properties of this family of ionic liquids have been characterized, which shows that these compounds have ionic liquids characteristics,surface activity and biocompatibility.

  16. Ionic liquids in the synthesis of nanoobjects

    Energy Technology Data Exchange (ETDEWEB)

    Tarasova, Natalia P; Smetannikov, Yurii V; Zanin, A A [Institute of Chemistry and Problems of Sustainable Development D.I.Mendeleev University of Chemical Technology of Russia (Russian Federation)

    2010-08-12

    Data on the usage of the novel green solvents, ionic liquids, in the synthesis of nanoobjects and their stabilization are considered. The information is structured according to the resulting products of the synthetic processes: nanoparticles of noble metals, nanoparticles of non-metals, nanoparticles of metal oxides and chalcogenides, nanocomposites, and highly dispersed polymers. The conclusion is made that the ionic liquids might determine the structure and the properties of the nanoobjects, thus opening new fundamental and technological horizons in nanochemistry.

  17. Ionic liquids in the synthesis of nanoobjects

    Science.gov (United States)

    Tarasova, Natalia P.; Smetannikov, Yurii V.; Zanin, A. A.

    2010-08-01

    Data on the usage of the novel green solvents, ionic liquids, in the synthesis of nanoobjects and their stabilization are considered. The information is structured according to the resulting products of the synthetic processes: nanoparticles of noble metals, nanoparticles of non-metals, nanoparticles of metal oxides and chalcogenides, nanocomposites, and highly dispersed polymers. The conclusion is made that the ionic liquids might determine the structure and the properties of the nanoobjects, thus opening new fundamental and technological horizons in nanochemistry.

  18. Superbase-derived protic ionic liquids

    Science.gov (United States)

    Dai, Sheng; Luo, Huimin; Baker, Gary A.

    2013-09-03

    Protic ionic liquids having a composition of formula (A.sup.-)(BH.sup.+) wherein A.sup.- is a conjugate base of an acid HA, and BH.sup.+ is a conjugate acid of a superbase B. In particular embodiments, BH.sup.+ is selected from phosphazenium species and guanidinium species encompassed, respectively, by the general formulas: ##STR00001## The invention is also directed to films and membranes containing these protic ionic liquids, with particular application as proton exchange membranes for fuel cells.

  19. Thermodynamic Properties of Caprolactam Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    JIANG Lu; BAI Liguang; ZHU Jiqin; CHEN Biaohua

    2013-01-01

    A series of caprolactam ionic liquids (ILs) containing incorporated halide anions were synthesized.Their physical properties,such as melting points,heats of fusion and heat capacities,were measured by differential scanning calorimeter (DSC).The results indicate that these ionic liquids exhibit proper melting points,high value of heats of fusion,and satisfying heat capacities which are suitable for thermal energy storage applications.

  20. The Solubility Parameters of Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Andrzej Marciniak

    2010-04-01

    Full Text Available The Hildebrand’s solubility parameters have been calculated for 18 ionic liquids from the inverse gas chromatography measurements of the activity coefficients at infinite dilution. Retention data were used for the calculation. The solubility parameters are helpful for the prediction of the solubility in the binary solvent mixtures. From the solubility parameters, the standard enthalpies of vaporization of ionic liquids were estimated.

  1. Study of thioglycosylation in ionic liquids

    Directory of Open Access Journals (Sweden)

    Ragauskas Arthur

    2006-06-01

    Full Text Available Abstract A novel, green chemistry, glycosylation strategy was developed based upon the use of ionic liquids. Research studies demonstrated that thiomethyl glycosides could readily be activated with methyl trifluoromethane sulfonate, using 1-butyl-3-methylimidazolium tetrafluoroborate as a solvent. This green chemistry glycosylation strategy provided disaccharides with typical yields averaging 75%. The ionic liquid solvent could be readily reused for five sequential glycosylation reactions with no impact on product yield.

  2. Ionic interaction of sulfatide with choline lipids.

    Science.gov (United States)

    Abramson, M B; Katzman, R

    1968-08-09

    Aqueous systems of sphingomyelin-sulfatide and lecithin-sulfatide were compared with aqueous systems of the individual lipids. The acid capacity of the mixed lipids increased, a result of the formation of an ionic bond between the sulfate of one molecule and the positive nitrogen of the other, making the phosphate available for direct titration. Cholesterol reduces this ionic interaction, probably because of the increased spacing of the ionized groups.

  3. Interaction of Novel Ionic Liquids with Soils

    OpenAIRE

    2013-01-01

    With the constant development of new ionic liquids, the understanding of the chemical fate of these compounds also needs to be updated. To this effect, the interaction of a number of novel ionic liquids with soils was determined. Therefore, three novel headgroups (ammonium, phosphonium, or pyrrolidinium) with single or quaternary substitution were tested on a variety of soils with high-to-low organic matter content and high-to-low cation exchange capacity, thereby trying to capture the full r...

  4. Application of ionic liquids based enzyme-assisted extraction of chlorogenic acid from Eucommia ulmoides leaves.

    Science.gov (United States)

    Liu, Tingting; Sui, Xiaoyu; Li, Li; Zhang, Jie; Liang, Xin; Li, Wenjing; Zhang, Honglian; Fu, Shuang

    2016-01-15

    A new approach for ionic liquid based enzyme-assisted extraction (ILEAE) of chlorogenic acid (CGA) from Eucommia ulmoides is presented in which enzyme pretreatment was used in ionic liquids aqueous media to enhance extraction yield. For this purpose, the solubility of CGA and the activity of cellulase were investigated in eight 1-alkyl-3-methylimidazolium ionic liquids. Cellulase in 0.5 M [C6mim]Br aqueous solution was found to provide better performance in extraction. The factors of ILEAE procedures including extraction time, extraction phase pH, extraction temperatures and enzyme concentrations were investigated. Moreover, the novel developed approach offered advantages in term of yield and efficiency compared with other conventional extraction techniques. Scanning electronic microscopy of plant samples indicated that cellulase treated cell wall in ionic liquid solution was subjected to extract, which led to more efficient extraction by reducing mass transfer barrier. The proposed ILEAE method would develope a continuous process for enzyme-assisted extraction including enzyme incubation and solvent extraction process. In this research, we propose a novel view for enzyme-assisted extraction of plant active component, besides concentrating on enzyme facilitated cell wall degradation, focusing on improvement of bad permeability of ionic liquids solutions.

  5. Prediction of gas solubilities in ionic liquids.

    Science.gov (United States)

    Oliferenko, Alexander A; Oliferenko, Polina V; Seddon, Kenneth R; Torrecilla, José S

    2011-10-14

    Ionic liquids (of which it is estimated that there are at least one million simple fluids) generate a rich chemical space, which is now just at the beginning of its systematic exploration. Many properties of ionic liquids are truly unique and, which is more important, can be finely tuned. Differential solubility of industrial chemicals in ionic liquids is particularly interesting, because it can be a basis for novel, efficient, environmentally friendly technologies. Given the vast number of potential ionic liquids, and the impossibility of a comprehensive empirical exploration, it is essential to extract the maximum information from extant data. We report here some computational models of gas solubility. These multiple regression- and neural network-based models cover a chemical space spanned by 48 ionic liquids and 23 industrially important gases. Molecular polarisabilities and special Lewis acidity and basicity descriptors calculated for the ionic liquid cations and anions, as well as for the gaseous solutes, are used as input parameters. The quality of fit "observed versus predicted Henry's law constants" is particularly good for the neural network model. Validation was established with an external dataset, again with a high quality fit. In contrast to many other neural network models published, our model is no "black box", since contributions of the parameters and their nonlinearity characteristics are calculated and analysed.

  6. The structure of ionic liquids

    CERN Document Server

    Gontrani, Lorenzo

    2014-01-01

    This volume describes the most recent findings on the structure of ILs interpreted through cutting-edge experimental and theoretical methods. Research in the field of ionic liquids (ILs) keeps a fast and steady pace. Since these new-generation molten salts first appeared in the chemistry and physics landscape, a large number of new compounds has been synthesized. Most of them display unexpected behaviour and possess stunning properties. The coverage in this book ranges from the mesoscopic structure of ILs to their interaction with proteins. The reader will learn how diffraction techniques (small and large angle X-Ray and neutron scattering, powder methods), X-Ray absorption spectroscopies (EXAFS/XANES), optical methods (IR, RAMAN), NMR and calorimetric methods can help the study of ILs, both as neat liquids and in mixtures with other compounds. It will enable the reader to choose the best method to suit their experimental needs. A detailed survey of theoretical methods, both quantum-chemical and classical, ...

  7. Effect of the Structure of Cations and Anions of Ionic Liquids on Separation of Aromatics from Hydrocarbon Mixtures

    Institute of Scientific and Technical Information of China (English)

    Liu Yansheng; Zhang Zhongxin; Zhang Guofu; Liu Zhichang; Hu Yufeng; Shi Quan; Ji Dejun

    2006-01-01

    The effects of the structure of typical cations and anions of ionic liquids on the separation of benzene and toluene from aromatic/paraffin mixtures were studied. The results showed that the corresponding separation factors were considerably larger than those of the traditional solvents (Benzene+Hexane+sulfolane), and that the ionic liquids could be used as novel solvents for the separation of aromatics from hydrocarbon mixtures. The key parameters governing the ability of ionic liquids for separating aromatics from hydrocarbon sources were investigated. It was found that the effectiveness of the ionic liquids, based on the same anion, changed in the cation order of [BIqu]+< [BPy]+< [BMIM]+. The selectivity of the ionic liquid toward aromatics decreased apparently with the increasing length of the substituted alkyl chain of its cationic head ring. The separation factors, based on the same cation, changed in the anion order of [Tf2N]-<[PF6]-<[BF4]-<[C2H5SO4]-. The solubilities of the aromatics were greater in the ionic liquids based on the former three anions than that in the ionic liquids involving [C2H5SO4]-.

  8. Antisense targeting of 3' end elements involved in DUX4 mRNA processing is an efficient therapeutic strategy for facioscapulohumeral dystrophy: a new gene-silencing approach.

    Science.gov (United States)

    Marsollier, Anne-Charlotte; Ciszewski, Lukasz; Mariot, Virginie; Popplewell, Linda; Voit, Thomas; Dickson, George; Dumonceaux, Julie

    2016-04-15

    Defects in mRNA 3'end formation have been described to alter transcription termination, transport of the mRNA from the nucleus to the cytoplasm, stability of the mRNA and translation efficiency. Therefore, inhibition of polyadenylation may lead to gene silencing. Here, we choose facioscapulohumeral dystrophy (FSHD) as a model to determine whether or not targeting key 3' end elements involved in mRNA processing using antisense oligonucleotide drugs can be used as a strategy for gene silencing within a potentially therapeutic context. FSHD is a gain-of-function disease characterized by the aberrant expression of the Double homeobox 4 (DUX4) transcription factor leading to altered pathogenic deregulation of multiple genes in muscles. Here, we demonstrate that targeting either the mRNA polyadenylation signal and/or cleavage site is an efficient strategy to down-regulate DUX4 expression and to decrease the abnormally high-pathological expression of genes downstream of DUX4. We conclude that targeting key functional 3' end elements involved in pre-mRNA to mRNA maturation with antisense drugs can lead to efficient gene silencing and is thus a potentially effective therapeutic strategy for at least FSHD. Moreover, polyadenylation is a crucial step in the maturation of almost all eukaryotic mRNAs, and thus all mRNAs are virtually eligible for this antisense-mediated knockdown strategy.

  9. Using Ionic Liquids in Selective Hydrocarbon Conversion Processes

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Yongchun; Periana, Roy; Chen, Weiqun; van Duin, Adri; Nielsen, Robert; Shuler, Patrick; Ma, Qisheng; Blanco, Mario; Li, Zaiwei; Oxgaard, Jonas; Cheng, Jihong; Cheung, Sam; Pudar, Sanja

    2009-09-28

    This is the Final Report of the five-year project Using Ionic Liquids in Selective Hydrocarbon Conversion Processes (DE-FC36-04GO14276, July 1, 2004- June 30, 2009), in which we present our major accomplishments with detailed descriptions of our experimental and theoretical efforts. Upon the successful conduction of this project, we have followed our proposed breakdown work structure completing most of the technical tasks. Finally, we have developed and demonstrated several optimized homogenously catalytic methane conversion systems involving applications of novel ionic liquids, which present much more superior performance than the Catalytica system (the best-to-date system) in terms of three times higher reaction rates and longer catalysts lifetime and much stronger resistance to water deactivation. We have developed in-depth mechanistic understandings on the complicated chemistry involved in homogenously catalytic methane oxidation as well as developed the unique yet effective experimental protocols (reactors, analytical tools and screening methodologies) for achieving a highly efficient yet economically feasible and environmentally friendly catalytic methane conversion system. The most important findings have been published, patented as well as reported to DOE in this Final Report and our 20 Quarterly Reports.

  10. Ionic changes during experimentally induced seizure activity.

    Science.gov (United States)

    Lux, H D; Heinemann, U

    1978-01-01

    Changes in intra- and extracellular ionic activity and their relation to generation and termination of seizure phenomena can be studied with the help of ion-selective microelectrodes. Transient changes in extracellular potassium activity (aK) of the cortex regularly accompany paroxysmal activity induced by electrical stimulation and pentylenetetrazol injections or occur within active penicillin and aluminum foci. A rise of aK from baseline levels of about 3 mmoles/l up to ceiling levels of 8--12 mmoles/l, followed by subnormal K activity, is typically found during seizure discharge. Extracellular K accumulation during seizures facilitates the spread into extrafocal regions. Ceiling levels of extracellular aK are characterized by pronounced K reabsorption which is probably a limiting mechanism for the rise in extracellular aK. It may be a consequence of a simultaneous rise in intracellular Na activity that an electrogenic Na--K exchange process is involved in the termination of ictal activity. Seizures are also accompanied by significant reductions in extracellular Ca2+ activity (aCa) to as low as 0.7 mmoles/l (resting aCa 1.25 mmoles/l). There is no critical level of lowered aCa at which a seizure ultimately results. However, unlike changes in aK reductions in aCa can precede ictal activity. Thus, a fall of aCa occurs before the onset of paroxysmal periods during cyclical spike driving in a penicillin focus and before seizures induced by pentylenetetrazol. Ca2+-dependent mechanisms may contribute to seizure generation. In addition to changes in aK and aCa, intracellular chloride activity (aCl) can increase during seizure activity, as a result of an impaired chloride extrusion mechanism, which would lead to a reduced efficacy of inhibitory synaptic transmission and, therefore, to facilitation of seizure generation.

  11. Non-Residential Father-Child Involvement, Interparental Conflict and Mental Health of Children Following Divorce: A Person-Focused Approach.

    Science.gov (United States)

    Elam, Kit K; Sandler, Irwin; Wolchik, Sharlene; Tein, Jenn-Yun

    2016-03-01

    Variable-centered research has found complex relationships between child well-being and two critical aspects of the post-divorce family environment: the level of non-residential father involvement (i.e., contact and supportive relationship) with their children and the level of conflict between the father and mother. However, these analyses fail to capture individual differences based on distinct patterns of interparental conflict, father support and father contact. Using a person-centered latent profile analysis, the present study examined (1) profiles of non-residential father contact, support, and interparental conflict in the 2 years following divorce (N = 240), when children (49 % female) were between 9 and 12 years of age and (2) differences across profiles in concurrent child adjustment outcomes as well as outcomes 6 years later. Four profiles of father involvement were identified: High Contact-Moderate Conflict-Moderate Support, Low Contact-Moderate Conflict-Low Support, High Conflict-Moderate Contact-Moderate Support, and Low Conflict-Moderate Contact-Moderate Support. Concurrently, children with fathers in the group with high conflict were found to have significantly greater internalizing and externalizing problems compared to all other groups. Six years later, children with fathers in the group with low contact and low support were found to have greater internalizing and externalizing problems compared to children with fathers in the high conflict group, and also greater internalizing problems compared to children with fathers in the low conflict group. These results provide insight into the complex relationship among non-residential fathers' conflict, contact, and support in child adjustment within divorcing families.

  12. Ionic liquid processing of cellulose.

    Science.gov (United States)

    Wang, Hui; Gurau, Gabriela; Rogers, Robin D

    2012-02-21

    Utilization of natural polymers has attracted increasing attention because of the consumption and over-exploitation of non-renewable resources, such as coal and oil. The development of green processing of cellulose, the most abundant biorenewable material on Earth, is urgent from the viewpoints of both sustainability and environmental protection. The discovery of the dissolution of cellulose in ionic liquids (ILs, salts which melt below 100 °C) provides new opportunities for the processing of this biopolymer, however, many fundamental and practical questions need to be answered in order to determine if this will ultimately be a green or sustainable strategy. In this critical review, the open fundamental questions regarding the interactions of cellulose with both the IL cations and anions in the dissolution process are discussed. Investigations have shown that the interactions between the anion and cellulose play an important role in the solvation of cellulose, however, opinions on the role of the cation are conflicting. Some researchers have concluded that the cations are hydrogen bonding to this biopolymer, while others suggest they are not. Our review of the available data has led us to urge the use of more chemical units of solubility, such as 'g cellulose per mole of IL' or 'mol IL per mol hydroxyl in cellulose' to provide more consistency in data reporting and more insight into the dissolution mechanism. This review will also assess the greenness and sustainability of IL processing of biomass, where it would seem that the choices of cation and anion are critical not only to the science of the dissolution, but to the ultimate 'greenness' of any process (142 references).

  13. Ionic liquids--an overview.

    Science.gov (United States)

    Jenkins, Harry Donald Brooke

    2011-01-01

    A virtually unprecedented exponential burst of activity resulted following the publication, in 1998, of an article by Michael Freeman (Freemantle, M. Chemical & Engineering News, 1998, March 30, 32), which speculated on the role and contribution that ionic liquids (ILs) might make in the future on the development of clean technology. Up until that time only a handful of researchers were routinely engaged in the study of ILs but frenzied activity followed that continues until the present day. Scientists from all disciplines related to Chemistry have now embarked on studies, including theoreticians who are immersed in the aim of improving the "designer role" so that they can tailor ILs to deliver specified properties. This article, whilst not in any sense attempting to be exhaustive, highlights the main features which characterise ILs, presenting these in a form readily assimilated by newcomers to this area of research. An extensive glossary is featured in this article as well as a chronological list which charts the major areas of development. What follows consists of a number of sections briefly describing the role of lLs as solvents, hypergolic fuels, their use in some electrochemical devices such as solar cells and lithium batteries and their use in polymerisation reactions, followed by a concise summary of some of the other roles that they are capable of playing. The role of empirical, volume-based thermodynamics procedures, as well as large scale computational studies on ILs is also highlighted. These developments which are described are remarkable in that they have been achieved in less than a decade and a half although knowledge of these materials has existed for much longer.

  14. Corresponding-states behavior of an ionic model fluid with variable dispersion interactions.

    Science.gov (United States)

    Weiss, Volker C

    2016-06-21

    Guggenheim's corresponding-states approach for simple fluids leads to a remarkably universal representation of their thermophysical properties. For more complex fluids, such as polar or ionic ones, deviations from this type of behavior are to be expected, thereby supplying us with valuable information about the thermodynamic consequences of the interaction details in fluids. Here, the gradual transition of a simple fluid to an ionic one is studied by varying the relative strength of the dispersion interactions compared to the electrostatic interactions among the charged particles. In addition to the effects on the reduced surface tension that were reported earlier [F. Leroy and V. C. Weiss, J. Chem. Phys. 134, 094703 (2011)], we address the shape of the coexistence curve and focus on properties that are related to and derived from the vapor pressure. These quantities include the enthalpy and entropy of vaporization, the boiling point, and the critical compressibility factor Zc. For all of these properties, the crossover from simple to characteristically ionic fluid is seen once the dispersive attraction drops below 20%-40% of the electrostatic attraction (as measured for two particles at contact). Below this threshold, ionic fluids display characteristically low values of Zc as well as large Guggenheim and Guldberg ratios for the reduced enthalpy of vaporization and the reduced boiling point, respectively. The coexistence curves are wider and more skewed than those for simple fluids. The results for the ionic model fluid with variable dispersion interactions improve our understanding of the behavior of real ionic fluids, such as inorganic molten salts and room temperature ionic liquids, by gauging the importance of different types of interactions for thermodynamic properties.

  15. Fluorescence lifetime to image epidermal ionic concentrations

    Science.gov (United States)

    Behne, Martin J.; Barry, Nicholas P.; Moll, Ingrid; Gratton, Enrico; Mauro, Theodora M.

    2004-09-01

    Measurements of ionic concentrations in skin have traditionally been performed with an array of methods which either did not reveal detailed localization information, or only provided qualitative, not quantitative information. FLIM combines a number of advantages into a method ideally suited to visualize concentrations of ions such as H+ in intact, unperturbed epidermis and stratum corneum (SC). Fluorescence lifetime is dye concentration-independent, the method requires only low light intensities and is therefore not prone to photobleaching or phototoxic artifacts, and because multiphoton lasers of IR wavelength are used, light penetrates deep into intact tissue. The standard method to measure SC pH is the flat pH electrode, which provides reliable information only about surface pH changes, without further vertical or subcellular spatial resolution; i.e., specific microdomains such as the corneocyte interstices are not resolved, and the deeper SC is inaccessible without resorting to inherently disruptive stripping methods. Furthermore, the concept of a gradient of pH through the SC stems from such stripping experiments, but other confirmation for this concept is lacking. Our investigations into the SC pH distribution so far have revealed the crucial role of the Sodium/Hydrogen Antiporter NHE1 in generation of SC acidity, the colocalization of enzymatic lipid processing activity in the SC with acidic domains of the SC, and the timing and localization of emerging acidity in the SC of newborns. Together, these results have led to an improved understanding of the SC pH, its distribution, origin, and regulation. Future uses for this method include measurements of other ions important for epidermal processes, such as Ca2+, and a quantitative approach to topical drug penetration.

  16. 'The stigma attached isn't true of real life': Challenging public perception of dementia through a participatory approach involving people with dementia (Innovative Practice).

    Science.gov (United States)

    Reynolds, Laura; Innes, Anthea; Poyner, Christopher; Hambidge, Sarah

    2017-02-01

    This paper discusses the potential impact of viewing public performances of an orchestra comprising people with dementia, family members, student volunteers and professional symphony orchestra members in contributing to challenging negative perceptions of dementia. Negative perceptions of dementia abound despite recent policy attempts to challenge the stigma associated with the condition. This paper reports on the findings from the performance element of a music project for people with dementia, known as the BUDI Orchestra, designed to replicate the traditional rehearse and perform cycle of musicians. Data were collected via self-completion questionnaires from audience members ( N = 109) at three public performances. The performances exceeded the expectations of the general public, and findings suggest a positive impact on perceptions of dementia, demonstrating the power and potential of participatory approaches showcasing the achievements of those living with dementia when attempting to raise awareness of dementia and challenge negative perceptions.

  17. Developing principles for predicting ionic liquid effects on reaction outcome. The importance of the anion in controlling microscopic interactions.

    Science.gov (United States)

    Keaveney, Sinead T; Haines, Ronald S; Harper, Jason B

    2015-03-28

    A series of ionic liquids containing anions of differing coordination strength were investigated as solvents for the condensation reaction of an alkyl amine and an aromatic aldehyde. As predicted, the rate constant of the process was found to increase with the proportion of the ionic liquid in the reaction mixture. Temperature-dependent kinetic analyses demonstrated that by varying the ability of the anion to interact with the cation the magnitude of both the enthalpy and entropy of activation could be controlled in a predictable manner, with the activation parameters being linearly dependent on the ionic liquid basicity. Interestingly, the unexpected trend in the rate constants observed when altering the anion of the ionic liquid highlighted the presence of more subtle secondary microscopic interactions involving the anion, further emphasizing the fragility of the enthalpy - entropy balance.

  18. Ionic Current Rectification in a pH-Tunable Polyelectrolyte Brushes Functionalized Conical Nanopore: Effect of Salt Gradient.

    Science.gov (United States)

    Lin, Jeng-Yang; Lin, Chih-Yuan; Hsu, Jyh-Ping; Tseng, Shiojenn

    2016-01-19

    The behavior of ionic current rectification (ICR) in a conical nanopore with its surface modified by pH-tunable polyelectrolyte (PE) brushes connecting two large reservoirs subject to an applied electric field and a salt gradient is investigated. Parameters including the solution pH, types of ionic species, strength of applied salt gradient, and applied potential bias are examined for their influences on the ionic current and rectification factor, and the mechanisms involved are investigated comprehensively. The ICR behavior depends highly on the charged conditions of the PE layer, the level of pH, the geometry of nanopore, and the thickness of the double layer. In particular, the distribution of ionic species and the local electric field near the nanopore openings play a key role, yielding profound and interesting results that are informative to device design as well as experimental data interpretation.

  19. Involving decision-makers in the research process: Challenges of implementing the accountability for reasonableness approach to priority setting at the district level in Tanzania.

    Science.gov (United States)

    Maluka, Stephen; Kamuzora, Peter; Ndawi, Benedict; Hurtig, Anna-Karin

    2014-01-01

    The past two decades have seen a growing call for researchers, policy-makers and health care providers to collaborate in efforts to bridge the gaps between research, policy and practice. However, there has been a little attention focused on documenting the challenges of dealing with decision-makers in the course of implementing a research project. This paper highlights a collaborative research project aiming to implement the accountability for reasonableness (AFR) approach to priority setting in accordance with the Response to Accountable Priority Setting for Trust in Health Systems (REACT) project in Tanzania. Specifically, the paper examines the challenges of dealing with decision-makers during the project-implementation process and shows how the researchers dealt with the decision-makers to facilitate the implementation of the REACT project. Key informant interviews were conducted with the Council Health Management Team (CHMT), local government officials and other stakeholders, using a semi-structured interview guide. Minutes of the Action Research Team and CHMT were analysed. Additionally, project-implementation reports were analysed and group priority-setting processes in the district were observed. The findings show that the characteristics of the REACT research project, the novelty of some aspects of the AFR approach, such as publicity and appeals, the Action Research methodology used to implement the project and the traditional cultural contexts within which the project was implemented, created challenges for both researchers and decision-makers, which consequently slowed down the implementation of the REACT project. While collaboration between researchers and decision-makers is important in bridging gaps between research and practice, it is imperative to understand the challenges of dealing with decision-makers in the course of implementing a collaborative research project. Such analyses are crucial in designing proper strategies for improved communication

  20. The Research Progress of CO2 Capture with Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    赵志军; 董海峰; 张香平

    2012-01-01

    Due to their negligible volatility, reasonable thermal stability, strong dissolubility, wide liquid range and tunability of structure and property, ionic liquids have been regarded as emerging candidate reagents for CO2 cap- ture from industries gases. In this review, the research progresses in CO2 capture using conventional ionic liquids,functionalized ionic liquids, supported ionic-liquids membranes, polymerized ionic liquids and mixtures of ionic liquids with some molecular solvents were investigated and reviewed. Discussion of relevant research fields was presented and the future developments were suggested.

  1. Water Contaminant Mitigation in Ionic Liquid Propellant

    Science.gov (United States)

    Conroy, David; Ziemer, John

    2009-01-01

    Appropriate system and operational requirements are needed in order to ensure mission success without unnecessary cost. Purity requirements applied to thruster propellants may flow down to materials and operations as well as the propellant preparation itself. Colloid electrospray thrusters function by applying a large potential to a room temperature liquid propellant (such as an ionic liquid), inducing formation of a Taylor cone. Ions and droplets are ejected from the Taylor cone and accelerated through a strong electric field. Electrospray thrusters are highly efficient, precise, scaleable, and demonstrate low thrust noise. Ionic liquid propellants have excellent properties for use as electrospray propellants, but can be hampered by impurities, owing to their solvent capabilities. Of foremost concern is the water content, which can result from exposure to atmosphere. Even hydrophobic ionic liquids have been shown to absorb water from the air. In order to mitigate the risks of bubble formation in feed systems caused by water content of the ionic liquid propellant, physical properties of the ionic liquid EMI-Im are analyzed. The effects of surface tension, material wetting, physisorption, and geometric details of the flow manifold and electrospray emitters are explored. Results are compared to laboratory test data.

  2. Identification of Putative Ortholog Gene Blocks Involved in Gestant and Lactating Mammary Gland Development: A Rodent Cross-Species Microarray Transcriptomics Approach

    Science.gov (United States)

    Rodríguez-Cruz, Maricela; Coral-Vázquez, Ramón M.; Hernández-Stengele, Gabriel; Sánchez, Raúl; Salazar, Emmanuel; Sanchez-Muñoz, Fausto; Encarnación-Guevara, Sergio; Ramírez-Salcedo, Jorge

    2013-01-01

    The mammary gland (MG) undergoes functional and metabolic changes during the transition from pregnancy to lactation, possibly by regulation of conserved genes. The objective was to elucidate orthologous genes, chromosome clusters and putative conserved transcriptional modules during MG development. We analyzed expression of 22,000 transcripts using murine microarrays and RNA samples of MG from virgin, pregnant, and lactating rats by cross-species hybridization. We identified 521 transcripts differentially expressed; upregulated in early (78%) and midpregnancy (89%) and early lactation (64%), but downregulated in mid-lactation (61%). Putative orthologous genes were identified. We mapped the altered genes to orthologous chromosomal locations in human and mouse. Eighteen sets of conserved genes associated with key cellular functions were revealed and conserved transcription factor binding site search entailed possible coregulation among all eight block sets of genes. This study demonstrates that the use of heterologous array hybridization for screening of orthologous gene expression from rat revealed sets of conserved genes arranged in chromosomal order implicated in signaling pathways and functional ontology. Results demonstrate the utilization power of comparative genomics and prove the feasibility of using rodent microarrays to identification of putative coexpressed orthologous genes involved in the control of human mammary gland development. PMID:24288657

  3. Identification of Putative Ortholog Gene Blocks Involved in Gestant and Lactating Mammary Gland Development: A Rodent Cross-Species Microarray Transcriptomics Approach

    Directory of Open Access Journals (Sweden)

    Maricela Rodríguez-Cruz

    2013-01-01

    Full Text Available The mammary gland (MG undergoes functional and metabolic changes during the transition from pregnancy to lactation, possibly by regulation of conserved genes. The objective was to elucidate orthologous genes, chromosome clusters and putative conserved transcriptional modules during MG development. We analyzed expression of 22,000 transcripts using murine microarrays and RNA samples of MG from virgin, pregnant, and lactating rats by cross-species hybridization. We identified 521 transcripts differentially expressed; upregulated in early (78% and midpregnancy (89% and early lactation (64%, but downregulated in mid-lactation (61%. Putative orthologous genes were identified. We mapped the altered genes to orthologous chromosomal locations in human and mouse. Eighteen sets of conserved genes associated with key cellular functions were revealed and conserved transcription factor binding site search entailed possible coregulation among all eight block sets of genes. This study demonstrates that the use of heterologous array hybridization for screening of orthologous gene expression from rat revealed sets of conserved genes arranged in chromosomal order implicated in signaling pathways and functional ontology. Results demonstrate the utilization power of comparative genomics and prove the feasibility of using rodent microarrays to identification of putative coexpressed orthologous genes involved in the control of human mammary gland development.

  4. FAMILIES’ FIRST IN EARLYCHILDHOOD INTERVENTION.A THEORETICAL APPROACH TOWARDS PARENT’S INVOLVEMENT AND INCREASE OF EFFICIENCY OF THE EARLY CHILDHOOD INTERVENTION

    Directory of Open Access Journals (Sweden)

    Manfred PRETIS

    2012-03-01

    Full Text Available Early Childhood Intervention (ECI for vulnerable children between the age of 0-3 and 6 can be seen as well established preventive service in Europe. Even though recent epidemiologic data indicate higher rates of vulnerability during childhood and adolescence, traditionally up to 6% of the children are eligible for the ECI treatment. Definitions describing the ECI include from stable or ad hoc trans-disciplinary teams helping the child, to specific professional profiles. There is a scientific consensus regarding the effects of the ECI upon the child’s development and the family dynamics. The ECI itself is responsible for more stable impact on the socio-emotional development of the child and the parent-child relationship. Specific focus in the research is given to the role of the parents as primary caregivers. Based on the importance of enhancing the interactions between the parents and the children, this paper discusses the strategies that help increase the efficiency of the ECI trough parental involvement. Special attention is dedicated to the mutual understanding, transparency and the use of common language such as the ICF.

  5. Physical nature of intermolecular interactions in [BMIM][PF6] ionic liquid.

    Science.gov (United States)

    Szefczyk, Borys; Sokalski, W Andrzej

    2014-02-27

    The intermolecular interaction energy in a popular ionic liquid, [BMIM][PF6] is analyzed using the Hybrid Variation-Perturbation Theory approach. The analysis is performed on a sample of configurations from molecular dynamics simulation, instead of minimized structures. The interaction energy components are quantified, showing that the electrostatics is the dominating but not the only important term. It is found that two- and three-body electron delocalization components also contribute to the stabilization of the complexes; however, these interactions vanish beyond the first coordination sphere. The presented study shows a systematic way to obtain the amount of physically meaningful components of the interaction energy, which possibly could be related to macroscopic properties of ionic liquids (e.g., viscosity, melting point) or electron transfer in ionic liquids.

  6. Interaction of a Long Alkyl Chain Protic Ionic Liquid and Water

    CERN Document Server

    Bodo, Enrico; Capitani, Francesco; Gontrani, Lorenzo; Leonelli, Francesca; Postorino, Paolo

    2014-01-01

    A combined experimental/theoretical approach has been used to investigate the role of water in modifying the microscopic interactions characterizing the optical response of butyl-ammonium nitrate (BAN) water solutions. Raman spectra, dominated by the signal from the protic ionic liquid, were collected as a function of the water content, and the corresponding spatial organization of the ionic couples, as well as their local arrangement with water molecules, was studied exploiting classical molecular dynamics calculations. High quality spectroscopic data, combined with a careful analysis, revealed that water affects the vibrational spectrum BAN in solution: as the water concentration is increased, peaks assigned to stretching modes show a frequency hardening together with a shape narrowing, whereas the opposite behavior is observed for peaks assigned to bending modes. Calculation results clearly show a nanometric spatial organization of the ionic couples that is not destroyed on increasing the water content at ...

  7. Application of ionic liquids in the microwave-assisted extraction of proanthocyanidins from Larix gmelini bark.

    Science.gov (United States)

    Yang, Lei; Sun, Xiaowei; Yang, Fengjian; Zhao, Chunjian; Zhang, Lin; Zu, Yuangang

    2012-01-01

    Ionic liquid based, microwave-assisted extraction (ILMAE) was successfully applied to the extraction of proanthocyanidins from Larix gmelini bark. In this work, in order to evaluate the performance of ionic liquids in the microwave-assisted extraction process, a series of 1-alkyl-3-methylimidazolium ionic liquids with different cations and anions were evaluated for extraction yield, and 1-butyl-3-methylimidazolium bromide was selected as the optimal solvent. In addition, the ILMAE procedure for the proanthocyanidins was optimized and compared with other conventional extraction techniques. Under the optimized conditions, satisfactory extraction yield of the proanthocyanidins was obtained. Relative to other methods, the proposed approach provided higher extraction yield and lower energy consumption. The Larix gmelini bark samples before and after extraction were analyzed by Thermal gravimetric analysis, Fourier-transform infrared spectroscopy and characterized by scanning electron microscopy. The results showed that the ILMAE method is a simple and efficient technique for sample preparation.

  8. Suggested Involvement of PP1/PP2A Activity and De Novo Gene Expression in Anhydrobiotic Survival in a Tardigrade, Hypsibius dujardini, by Chemical Genetic Approach.

    Directory of Open Access Journals (Sweden)

    Koyuki Kondo

    Full Text Available Upon desiccation, some tardigrades enter an ametabolic dehydrated state called anhydrobiosis and can survive a desiccated environment in this state. For successful transition to anhydrobiosis, some anhydrobiotic tardigrades require pre-incubation under high humidity conditions, a process called preconditioning, prior to exposure to severe desiccation. Although tardigrades are thought to prepare for transition to anhydrobiosis during preconditioning, the molecular mechanisms governing such processes remain unknown. In this study, we used chemical genetic approaches to elucidate the regulatory mechanisms of anhydrobiosis in the anhydrobiotic tardigrade, Hypsibius dujardini. We first demonstrated that inhibition of transcription or translation drastically impaired anhydrobiotic survival, suggesting that de novo gene expression is required for successful transition to anhydrobiosis in this tardigrade. We then screened 81 chemicals and identified 5 chemicals that significantly impaired anhydrobiotic survival after severe desiccation, in contrast to little or no effect on survival after high humidity exposure only. In particular, cantharidic acid, a selective inhibitor of protein phosphatase (PP 1 and PP2A, exhibited the most profound inhibitory effects. Another PP1/PP2A inhibitor, okadaic acid, also significantly and specifically impaired anhydrobiotic survival, suggesting that PP1/PP2A activity plays an important role for anhydrobiosis in this species. This is, to our knowledge, the first report of the required activities of signaling molecules for desiccation tolerance in tardigrades. The identified inhibitory chemicals could provide novel clues to elucidate the regulatory mechanisms underlying anhydrobiosis in tardigrades.

  9. Suggested Involvement of PP1/PP2A Activity and De Novo Gene Expression in Anhydrobiotic Survival in a Tardigrade, Hypsibius dujardini, by Chemical Genetic Approach.

    Science.gov (United States)

    Kondo, Koyuki; Kubo, Takeo; Kunieda, Takekazu

    2015-01-01

    Upon desiccation, some tardigrades enter an ametabolic dehydrated state called anhydrobiosis and can survive a desiccated environment in this state. For successful transition to anhydrobiosis, some anhydrobiotic tardigrades require pre-incubation under high humidity conditions, a process called preconditioning, prior to exposure to severe desiccation. Although tardigrades are thought to prepare for transition to anhydrobiosis during preconditioning, the molecular mechanisms governing such processes remain unknown. In this study, we used chemical genetic approaches to elucidate the regulatory mechanisms of anhydrobiosis in the anhydrobiotic tardigrade, Hypsibius dujardini. We first demonstrated that inhibition of transcription or translation drastically impaired anhydrobiotic survival, suggesting that de novo gene expression is required for successful transition to anhydrobiosis in this tardigrade. We then screened 81 chemicals and identified 5 chemicals that significantly impaired anhydrobiotic survival after severe desiccation, in contrast to little or no effect on survival after high humidity exposure only. In particular, cantharidic acid, a selective inhibitor of protein phosphatase (PP) 1 and PP2A, exhibited the most profound inhibitory effects. Another PP1/PP2A inhibitor, okadaic acid, also significantly and specifically impaired anhydrobiotic survival, suggesting that PP1/PP2A activity plays an important role for anhydrobiosis in this species. This is, to our knowledge, the first report of the required activities of signaling molecules for desiccation tolerance in tardigrades. The identified inhibitory chemicals could provide novel clues to elucidate the regulatory mechanisms underlying anhydrobiosis in tardigrades.

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

    Science.gov (United States)

    Xin, Bingwei; Hao, Jingcheng

    2014-01-01

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

  11. Extension of a Kinetic Approach to Chemical Reactions to Electronic Energy Levels and Reactions Involving Charged Species with Application to DSMC Simulations

    Science.gov (United States)

    Liechty, Derek S.

    2014-01-01

    The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for near-equilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion.

  12. RNAi and Homologous Over-Expression Based Functional Approaches Reveal Triterpenoid Synthase Gene-Cycloartenol Synthase Is Involved in Downstream Withanolide Biosynthesis in Withania somnifera.

    Directory of Open Access Journals (Sweden)

    Smrati Mishra

    Full Text Available Withania somnifera Dunal, is one of the most commonly used medicinal plant in Ayurvedic and indigenous medicine traditionally owing to its therapeutic potential, because of major chemical constituents, withanolides. Withanolide biosynthesis requires the activities of several enzymes in vivo. Cycloartenol synthase (CAS is an important enzyme in the withanolide biosynthetic pathway, catalyzing cyclization of 2, 3 oxidosqualene into cycloartenol. In the present study, we have cloned full-length WsCAS from Withania somnifera by homology-based PCR method. For gene function investigation, we constructed three RNAi gene-silencing constructs in backbone of RNAi vector pGSA and a full-length over-expression construct. These constructs were transformed in Agrobacterium strain GV3101 for plant transformation in W. somnifera. Molecular and metabolite analysis was performed in putative Withania transformants. The PCR and Southern blot results showed the genomic integration of these RNAi and overexpression construct(s in Withania genome. The qRT-PCR analysis showed that the expression of WsCAS gene was considerably downregulated in stable transgenic silenced Withania lines compared with the non-transformed control and HPLC analysis showed that withanolide content was greatly reduced in silenced lines. Transgenic plants over expressing CAS gene displayed enhanced level of CAS transcript and withanolide content compared to non-transformed controls. This work is the first full proof report of functional validation of any metabolic pathway gene in W. somnifera at whole plant level as per our knowledge and it will be further useful to understand the regulatory role of different genes involved in the biosynthesis of withanolides.

  13. RNAi and Homologous Over-Expression Based Functional Approaches Reveal Triterpenoid Synthase Gene-Cycloartenol Synthase Is Involved in Downstream Withanolide Biosynthesis in Withania somnifera.

    Science.gov (United States)

    Mishra, Smrati; Bansal, Shilpi; Mishra, Bhawana; Sangwan, Rajender Singh; Asha; Jadaun, Jyoti Singh; Sangwan, Neelam S

    2016-01-01

    Withania somnifera Dunal, is one of the most commonly used medicinal plant in Ayurvedic and indigenous medicine traditionally owing to its therapeutic potential, because of major chemical constituents, withanolides. Withanolide biosynthesis requires the activities of several enzymes in vivo. Cycloartenol synthase (CAS) is an important enzyme in the withanolide biosynthetic pathway, catalyzing cyclization of 2, 3 oxidosqualene into cycloartenol. In the present study, we have cloned full-length WsCAS from Withania somnifera by homology-based PCR method. For gene function investigation, we constructed three RNAi gene-silencing constructs in backbone of RNAi vector pGSA and a full-length over-expression construct. These constructs were transformed in Agrobacterium strain GV3101 for plant transformation in W. somnifera. Molecular and metabolite analysis was performed in putative Withania transformants. The PCR and Southern blot results showed the genomic integration of these RNAi and overexpression construct(s) in Withania genome. The qRT-PCR analysis showed that the expression of WsCAS gene was considerably downregulated in stable transgenic silenced Withania lines compared with the non-transformed control and HPLC analysis showed that withanolide content was greatly reduced in silenced lines. Transgenic plants over expressing CAS gene displayed enhanced level of CAS transcript and withanolide content compared to non-transformed controls. This work is the first full proof report of functional validation of any metabolic pathway gene in W. somnifera at whole plant level as per our knowledge and it will be further useful to understand the regulatory role of different genes involved in the biosynthesis of withanolides.

  14. Oxidative homocoupling of alkynes using supported ionic liquid phase (SILP) catalysts--systematic investigation of the support influence.

    Science.gov (United States)

    Szesni, Normen; Kaiser, Melanie; Putzien, Sophie; Fischer, Richard W

    2012-02-01

    Supported Ionic Liquid Phase (SILP) catalysts have been prepared by effective immobilization of [Cu(TMEDA)(OH)]Cl in a nano-metric film of an ionic liquid on various oxidic support materials. The catalysts were tested for the oxidative homocoupling of 1-alkynes to the corresponding diynes in in a combined high throughput and conventional batch reaction approach. Among the screened support materials silica based materials performed best. The results indicate that for the specific reaction the thickness of the ionic liquids layer and therefore the mobility of the homogeneous copper complex within the ionic liquid layer as deduced from solid state nmr measurements have major impact on the catalytic performance. The optimized catalysts could be recycled up to four times without any loss of activity.

  15. Pre-concentration and determination of amitriptyline residues in waste water by ionic liquid based immersed droplet microextraction and HPLC

    Institute of Scientific and Technical Information of China (English)

    M.T. Hamed Mosavian; Z. Es'haghi; N. Razavi; S. Banihashemi

    2012-01-01

    This paper describes a new approach for the determination of amitriptyline in wastewater by ionic liquid based immersed droplet microextraction (IL-IDME) prior to highperformance liquid chromatography with ultraviolet detection. 1-Hexyl-3-methylimidazolium hexafluorophosphate ([C6MIM][PF6]) was used as an ionic liquid. Various factors that affect extraction, such as volume of ionic liquid, stirring rate, extraction time, pH of the aqueous solution and salting effect, were optimized. The optimal conditions were as follows: microextraction time, 10 min; stirring rate, 720 rpm; pH, 11; ionic drop volume, 100 uL; and no sodium chloride addition. In quantitative experiments the method showed linearity in a range from 0.01 to 10 ug/mL, a limit of detection of 0.004 ug/mL and an excellent pre-concentration factor (PF) of 1100. Finally, the method was successfully applied to the determination of amitriptyline in the hospital wastewater samples.

  16. CPE OF URANIUM (VI USING IONIC LIQUID

    Directory of Open Access Journals (Sweden)

    SANAA NAÏT-TAHAR

    2016-07-01

    Full Text Available Cloud point extraction (CPE was used to extract uranium (VI from an aqueous solution in acetate media. The methodology used is based on the formation of uranyl-ionic liquid (I complexes and uranyl-D2EHPA soluble in a micellar phase of non-ionic surfactant (Triton X-100. The uranium (VI complexes are then extracted into the surfactant-rich phase at ambient temperature. The ionic liquid (IL used as a chelating agent was synthesized and characterized in this study. It is composed of N-butyl N’-triethoxy methyl imidazolium cation and diethylhexylphosphate (D2EHPA-H as anion. The effect of the IL on the extraction efficiency was studied in presence and in absence of IL’s cation in acetate medium.

  17. Enzyme activity in dialkyl phosphate ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, M.F.; Dunn, J.; Li, L.-L.; Handley-Pendleton, J. M.; van der lelie, D.; Wishart, J. F.

    2011-12-01

    The activity of four metagenomic enzymes and an enzyme cloned from the straw mushroom, Volvariellavolvacea were studied in the following ionic liquids, 1,3-dimethylimidazolium dimethyl phosphate, [mmim][dmp], 1-ethyl-3-methylimidazolium dimethyl phosphate, [emim][dmp], 1-ethyl-3-methylimidazolium diethyl phosphate, [emim][dep] and 1-ethyl-3-methylimidazolium acetate, [emim][OAc]. Activity was determined by analyzing the hydrolysis of para-nitrobenzene carbohydrate derivatives. In general, the enzymes were most active in the dimethyl phosphate ionic liquids, followed by acetate. Generally speaking, activity decreased sharply for concentrations of [emim][dep] above 10% v/v, while the other ionic liquids showed less impact on activity up to 20% v/v.

  18. Enzyme activity in dialkyl phosphate ionic liquids.

    Science.gov (United States)

    Thomas, Marie F; Li, Luen-Luen; Handley-Pendleton, Jocelyn M; van der Lelie, Daniel; Dunn, John J; Wishart, James F

    2011-12-01

    The activity of four metagenomic enzymes and an enzyme cloned from the straw mushroom, Volvariella volvacea were studied in the following ionic liquids, 1,3-dimethylimidazolium dimethyl phosphate, [mmim][dmp], 1-ethyl-3-methylimidazolium dimethyl phosphate, [emim][dmp], 1-ethyl-3-methylimidazolium diethyl phosphate, [emim][dep] and 1-ethyl-3-methylimidazolium acetate, [emim][OAc]. Activity was determined by analyzing the hydrolysis of para-nitrobenzene carbohydrate derivatives. In general, the enzymes were most active in the dimethyl phosphate ionic liquids, followed by acetate. Generally speaking, activity decreased sharply for concentrations of [emim][dep] above 10% v/v, while the other ionic liquids showed less impact on activity up to 20% v/v.

  19. Correlations between phase behaviors and ionic conductivities of (ionic liquid + alcohol) systems

    Energy Technology Data Exchange (ETDEWEB)

    Park, Nam Ku [Division of Chemical Engineering and Molecular Thermodynamics Lab, Hanyang University, Seoul 133-791 (Korea, Republic of); Bae, Young Chan, E-mail: ycbae@hanyang.ac.k [Division of Chemical Engineering and Molecular Thermodynamics Lab, Hanyang University, Seoul 133-791 (Korea, Republic of)

    2010-11-15

    To understand the basic properties of ionic liquids (ILs), we examined the phase behavior and ionic conductivity characteristics using various compositions of different ionic liquids (1-ethyl-3-methylimidazolium hexafluorophosphate [emim; PF6] and 1-benzyl-3-methylimidazolium hexafluorophosphate [bzmim; PF6]) in several different alcohols (ethanol, propanol, 1-butanol, 2-butanol, and hexanol). We conducted a systematic study of the impact of different factors on the phase behavior of imidazolium-based ionic liquids in alcohols. Using a new experimental method with a liquid electrolyte system, we observed that the ionic conductivity of the ionic liquid/alcohol was sensitive to the surrounding temperature. We employed Chang et al.'s thermodynamic model [Chang et al. (1997, 1998) ] based on the lattice model. The obtained co-ordinated unit parameter from this model was used to describe the phase behavior and ionic conductivities of the given system. Good agreement with experimental data of various alcohol and ILs systems was obtained in the range of interest.

  20. Identification of potential genetic components involved in the deviant quorum-sensing signaling pathways of Burkholderia glumae through a functional genomics approach

    Directory of Open Access Journals (Sweden)

    Ruoxi eChen

    2015-03-01

    Full Text Available Burkholderia glumae is the chief causal agent for bacterial panicle blight of rice. The acyl-homoserine lactone (AHL-mediated quorum-sensing (QS system dependent on a pair of luxI and luxR homologs, tofI and tofR, is the primary cell-to-cell signaling mechanism determining the virulence of this bacterium. Production of toxoflavin, a major virulence factor of B. glumae, is known to be dependent on the tofI/tofR QS system. In our previous study, however, it was observed that B. glumae mutants defective in tofI or tofR produced toxoflavin if they grew on the surface of a solid medium, suggesting that alternative signaling pathways independent of tofI or tofR are activated in that growth condition for the production of toxoflavin. In this study, potential genetic components involved in the tofI- and tofR-independent signaling pathways for toxoflavin production were sought through screening random mini-Tn5 mutants of B. glumae to better understand the intercellular signaling pathways of this pathogen. Fifteen and three genes were initially identified as the potential genetic elements of the tofI- and tofR-independent pathways, respectively. Especially, the ORF (bglu_2g06320 divergently transcribed from toxJ, which encodes an orphan LuxR protein and controls toxoflavin biosynthesis, was newly identified in this study as a gene required for the tofR-independent toxoflavin production and named as toxK. Among those genes, flhD, dgcB, and wyzB were further studied to validate their functions in the tofI-independent toxoflavin production, and similar studies were also conducted with qsmR and toxK for their functions in the tofR-independent toxoflavin production. This work provides a foundation for future comprehensive studies of the intercellular signaling systems of B. glumae and other related pathogenic bacteria.

  1. Functional ionic liquids; Funktionelle ionische Fluessigkeiten

    Energy Technology Data Exchange (ETDEWEB)

    Baecker, Tobias

    2012-07-01

    In the thesis at hand, new functional ionic liquids were investigated. Main focus was attended to their structure property relations and the structural features leading to a decrease of the melting point. New compounds of the type 1-butyl-3-methylimidazolium tris(N,Ndialkyldithiocarbamato) uranylate with variously substituated dithiocarbamato ligands were synthesized and characterized. Ligands with asymmetrical substitution pattern proved to be most suitable for ionic liquid formation. The single-crystal X-ray structures revealed the interactions in the solid state. Here, the first spectroscopic investigation of the U-S bond in sulfur donated uranyl complexes, up to now only observed in single-crystal X-ray structures, is presented, and the participation of the uranium f-orbitals is shown by theoretical calculations. Electrochemical investigations showed the accessibility of the respective U{sup V}O{sub 2}{sup +} compounds. As well, ionic liquids with [FeCl{sub 4}]{sup -} and [Cl{sub 3}FeOFeCl{sub 3}]{sup 2-} as anion were synthesized. Both of these anions contain high-spin Fe(III) centres in distorted tetrahedral environment, but exhibit different magnetic behaviour. The tetrachloroferrates show the usual paramagnetism, the m-oxobis(trichloroferrate) exhibits unexpectedly strong antiferromagnetic coupling, as was observed by NMR experiments and susceptibility measurements. To investigate structure-property relations in functionalized ionic liquids, a set of protic, primary alkylammonium and aprotic, quarternary trimethylalkylammonium based ionic liquids was synthesized, and characterized. The length of the alkyl chain was systematically varied, and all compounds were synthesized with and without hydroxyl group, as well as formate and bis(triflyl)amide salts, aiming at getting insight into the influence of the different structure parts on the respective ionic liquid's properties.

  2. Ecotoxicological characterization of polyoxyethylene glycerol ester non-ionic surfactants and their mixtures with anionic and non-ionic surfactants.

    Science.gov (United States)

    Ríos, Francisco; Fernández-Arteaga, Alejandro; Lechuga, Manuela; Fernández-Serrano, Mercedes

    2017-03-03

    This paper reports on a study that investigated the aquatic toxicity of new non-ionic surfactants derived from renewable raw materials, polyoxyethylene glycerol ester (PGE), and their binary mixtures with anionic and non-ionic surfactants. Toxicity of pure PGEs was determined using representative organisms from different trophic levels: luminescent bacteria (Vibrio fischeri), microalgae (Pseudokirchneriella subcapitata), and freshwater crustaceans (Daphnia magna). Relationships between toxicity and the structural parameters such as unit of ethylene oxide (EO) and hydrophilic-lipophilic balance (HLB) were evaluated. Critical micellar concentration (CMC) in the conditions of the toxicity test was also determined. It was found that the toxicity of the aqueous solutions of PGE decreased when the number of EO units in the molecule, HLB, and CMC increased. PGEs showed lower CMC in marine medium, and the toxicity to V. ficheri is lower when the CMC was higher. Given their non-polar nature, narcosis was expected to be the primary mode of toxic action of PGEs. For the mixture of surfactants, we observed that the mixtures with PGE that had the higher numbers of EO units were more toxic than the aqueous solutions of pure surfactants. Moreover, we found that concentration addition was the type of action more likely to occur for mixtures of PGE with lower numbers of EO units with non-ionic surfactants (alkylpolyglucoside and fatty alcohol ethoxylate), whereas for the mixture of PGE with lower EO units and anionic surfactant (ether carboxylic derivative), the most common response type was response addition. In case of mixtures involving amphoteric surfactants and PGEs with the higher numbers of EO units, no clear pattern with regard to the mixture toxicity response type could be observed.

  3. Ionic Liquids in Lithium-Ion Batteries.

    Science.gov (United States)

    Balducci, Andrea

    2017-04-01

    Lithium-ion batteries are among the most widespread energy storage devices in our society. In order to introduce these devices in new key applications such as transportation, however, their safety and their operative temperature range need to be significantly improved. These improvements can be obtained only by developing new electrolytes. Ionic liquids are presently considered among the most attractive electrolytes for the development of advanced and safer lithium-ion batteries. In this manuscript, the use of various types of ionic liquids, e.g. aprotic and protic, in lithium-ion batteries is considered. The advantages and the limits associated to the use of these innovative electrolytes are critically analysed.

  4. Diffusion and ionic conductivity in solid electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Mundy, J. N.

    1979-01-01

    In ionic solids, the most usual experimental method of determining the correlation factor (f) has been a comparison of tracer diffusion and ionic conductivity. Theoretical values of f have been determined for many lattice geometries and jump processes and compared with measured values of f as a means of determining the atomic jump process. This paper considers the problems of applying this technique to solid electrolytes where the concentration of defects responsible for diffusion is comparable to the concentration of the mobile ions. The difficulties of applying the more common experimental techniques are discussed and the present level of theoretical understanding of correlation effects will be outlined.

  5. Applications of ionic liquids in polymer science and technology

    CERN Document Server

    2015-01-01

    This book summarizes the latest knowledge in the science and technology of ionic liquids and polymers in different areas. Ionic liquids (IL) are actively being investigated in polymer science and technology for a number of different applications. In the first part of the book the authors present the particular properties of ionic liquids as speciality solvents. The state-of-the art in the use of ionic liquids in polymer synthesis and modification reactions including polymer recycling is outlined. The second part focuses on the use of ionic liquids as speciality additives such as plasticizers or antistatic agents.  The third part examines the use of ionic liquids in the design of functional polymers (usually called polymeric ionic liquids (PIL) or poly(ionic liquids)). Many important applications in diverse scientific and industrial areas rely on these polymers, like polymer electrolytes in electrochemical devices, building blocks in materials science, nanocomposites, gas membranes, innovative anion sensitive...

  6. Ionic liquids for nano- and microstructures preparation. Part 2: Application in synthesis.

    Science.gov (United States)

    Łuczak, Justyna; Paszkiewicz, Marta; Krukowska, Anna; Malankowska, Anna; Zaleska-Medynska, Adriana

    2016-01-01

    microstructures with different morphologies (0D nanoparticles, 1D nanowires, rods, 2D layers, sheets, and 3D features of molecules). ILs interact efficiently with microwave irradiation, thus even small amount of IL can be employed to increase the dielectric constant of nonpolar solvents used in the synthesis. Thus, combining the advantages of ionic liquids and ray-mediated methods resulted in the development of new ionic liquid-assisted synthesis routes. One of the recently proposed approaches of semiconductor particles preparation is based on the adsorption of semiconductor precursor molecules at the surface of micelles built of ionic liquid molecules playing a role of a soft template for growing microparticles.

  7. Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li 4 P 2 S 6

    Energy Technology Data Exchange (ETDEWEB)

    Dietrich, Christian; Sadowski, Marcel; Sicolo, Sabrina; Weber, Dominik A.; Sedlmaier, Stefan J.; Weldert, Kai S.; Indris, Sylvio; Albe, Karsten; Janek, Jurgen; Zeier, Wolfgang G. (JLU); (TU Darmstadt); (Karlsruher)

    2016-12-13

    Glassy, glass–ceramic, and crystalline lithium thiophosphates have attracted interest in their use as solid electrolytes in all-solid-state batteries. Despite similar structural motifs, including PS43–, P2S64–, and P2S74– polyhedra, these materials exhibit a wide range of possible compositions, crystal structures, and ionic conductivities. Here, we present a combined approach of Bragg diffraction, pair distribution function analysis, Raman spectroscopy, and 31P magic angle spinning nuclear magnetic resonance spectroscopy to study the underlying crystal structure of Li4P2S6. In this work, we show that the material crystallizes in a planar structural arrangement as a glass ceramic composite, explaining the observed relatively low ionic conductivity, depending on the fraction of glass content. Calculations based on density functional theory provide an understanding of occurring diffusion pathways and ionic conductivity of this Li+ ionic conductor.

  8. Regenerating cellulose from ionic liquids for an accelerated enzymatic hydrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Hua [Savannah State University; Jones, Cecil L [Savannah State University; Baker, Gary A [ORNL; Xia, Shuqian [Tianjin University, Tianjin, China; Olubajo, Olarongbe [Savannah State University; Person, Vernecia [Savannah State University

    2009-01-01

    The efficient conversion of lignocellulosic materials into fuel ethanol has become a research priority in producing affordable and renewable energy. The pretreatment of lignocelluloses is known to be key to the fast enzymatic hydrolysis of cellulose. Recently, certain ionic liquids (ILs)were found capable of dissolving more than 10 wt% cellulose. Preliminary investigations [Dadi, A.P., Varanasi, S., Schall, C.A., 2006. Enhancement of cellulose saccharification kinetics using an ionic liquid pretreatment step. Biotechnol. Bioeng. 95, 904 910; Liu, L., Chen, H., 2006. Enzymatic hydrolysis of cellulose materials treated with ionic liquid [BMIM]Cl. Chin. Sci. Bull. 51, 2432 2436; Dadi, A.P., Schall, C.A., Varanasi, S., 2007. Mitigation of cellulose recalcitrance to enzymatic hydrolysis by ionic liquid pretreatment. Appl. Biochem. Biotechnol. 137 140, 407 421] suggest that celluloses regenerated from IL solutions are subject to faster saccharification than untreated substrates. These encouraging results offer the possibility of using ILs as alternative and nonvolatile solvents for cellulose pretreatment. However, these studies are limited to two chloride-based ILs: (a) 1-butyl-3-methylimidazolium chloride ([BMIM]Cl), which is a corrosive, toxic and extremely hygroscopic solid (m.p. 70 C), and (b) 1-allyl-3-methylimidazolium chloride ([AMIM]Cl), which is viscous and has a reactive side-chain. Therefore, more in-depth research involving other ILs is much needed to explore this promising pretreatment route. For this reason, we studied a number of chloride- and acetate-based ILs for cellulose regeneration, including several ILs newly developed in our laboratory. This will enable us to select inexpensive, efficient and environmentally benign solvents for processing cellulosic biomass. Our data confirm that all regenerated celluloses are less crystalline (58 75% lower) and more accessible to cellulase (>2 times) than untreated substrates. As a result, regenerated Avicel

  9. Synthetic Organic Electrochemistry in Ionic Liquids: The Viscosity Question

    Directory of Open Access Journals (Sweden)

    Scott T. Handy

    2011-07-01

    Full Text Available Ionic liquids are obvious candidates for use in electrochemical applications due to their ionic character. Nevertheless, relatively little has been done to explore their application in electrosynthesis. We have studied the Shono oxidation of arylamines and carbamates using ionic liquids as recyclable solvents and have noted that the viscosity of the medium is a major problem, although with the addition of sufficient co-solvent, good results and excellent recovery and recycling of the ionic liquid can be achieved.

  10. Application of Ionic Liquids in Amperometric Gas Sensors.

    Science.gov (United States)

    Gębicki, Jacek; Kloskowski, Adam; Chrzanowski, Wojciech; Stepnowski, Piotr; Namiesnik, Jacek

    2016-01-01

    This article presents an analysis of available literature data on metrological parameters of the amperometric gas sensors containing ionic liquids as an electrolyte. Four mechanism types of signal generation in amperometric sensors with ionic liquid are described. Moreover, this article describes the influence of selected physico-chemical properties of the ionic liquids on the metrological parameters of these sensors. Some metrological parameters are also compared for amperometric sensors with GDE and SPE electrodes and with ionic liquids for selected analytes.

  11. Synthetic Organic Electrochemistry in Ionic Liquids: The Viscosity Question

    OpenAIRE

    Handy, Scott T.; Steven Bornemann

    2011-01-01

    Ionic liquids are obvious candidates for use in electrochemical applications due to their ionic character. Nevertheless, relatively little has been done to explore their application in electrosynthesis. We have studied the Shono oxidation of arylamines and carbamates using ionic liquids as recyclable solvents and have noted that the viscosity of the medium is a major problem, although with the addition of sufficient co-solvent, good results and excellent recovery and recycling of the ionic li...

  12. Synthesis, characterization and thermal properties of thiosalicylate ionic liquids

    Indian Academy of Sciences (India)

    Cecilia Devi Wilfred; Fadwa Babiker Mustafa

    2013-11-01

    In an attempt to produce new functionalized ionic liquids, a series of thiosalicylate ionic liquids based on imidazolium, ammonium, phosphonium, choline and pyrrolidinium cations were synthesized. The compounds were characterized by Infra Red (IR), Nuclear Magnetic Resonance (NMR) and mass spectra (ESI-MS). Their glass-transition temperatures, melting points and decomposition temperatures have been measured. Physicochemical properties of ionic liquids are influenced by alkyl chain length and nature of the cation of ionic liquids.

  13. Characterization and Functionality of Immidazolium Ionic Liquids Modified Magnetic Nanoparticles

    OpenAIRE

    Ying Li; Ning Tang; Fuyuhiko Inagaki; Chisato Mukai; Kazuichi Hayakawa

    2013-01-01

    1,3-Dialkylimidazolium-based ionic liquids were chemically synthesized and bonded on the surface of magnetic nanoparticles (MNPs) with easy one-step reaction. The obtained six kinds of ionic liquid modified MNPs were characterized with transmission electron microscopy, thermogravimetric analysis, magnetization, and FTIR, which owned the high adsorption capacity due to the nanometer size and high-density modification with ionic liquids. Functionality of MNPs with ionic liquids greatly influenc...

  14. CO2 capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbene.

    Science.gov (United States)

    Yan, Fangyong; Dhumal, Nilesh R; Kim, Hyung J

    2017-01-04

    Ionic liquids (ILs) provide a promising medium for CO2 capture. Recently, the family of ILs comprising imidazolium-based cations and acetate anions, such as 1-ethyl-3-methylimidazolium acetate (EMI(+)OAc(-)), has been found to react with CO2 and form carboxylate compounds. N-Heterocyclic carbene (NHC) is widely assumed to be responsible by directly reacting with CO2 though NHC has not been detected in these ILs. Herein, a computational analysis of CO2 capture in EMI(+)OAc(-) is presented. Quantum chemistry calculations predict that NHC is unstable in a polar environment, suggesting that NHC is not formed in EMI(+)OAc(-). Ab initio molecular dynamics simulations indicate that an EMI(+) ion "activated" by the approach of a CO2 molecule can donate its acidic proton to a neighboring OAc(-) anion and form a carboxylate compound with the CO2 molecule. Analysis of this termolecular process indicates that the EMI(+)-to-OAc(-) proton transfer and the formation of 1-ethyl-3-methylimidazolium-2-carboxylate occur essentially concurrently. Based on these findings, a novel concerted mechanism that does not involve NHC is proposed for CO2 capture.

  15. Ionic Precursors of Soot - A Combined Experimental-Theoretical Approach

    Science.gov (United States)

    1988-06-01

    1984. 85. Dannacher, J., Helbronner, E., Stadelmann , J.-P. and Vogt, J. Helvetica Chimica Acta, Vol. 62, p. 2186, 1979. 86. Baer, T., Willett, G. D...104-8, 1979. 125. Bombach, R., Dannacher, J., and Stadelmann , JP., J. Am. Chem. Soc., Vol. 105, pp. 4205-11, 1983. 126. Bombach, R., Dannacher, J...and Stadelmann , JP., Chem. Phys. Lett., Vol. 95, pp. 259-61, 1983. 127. Jackson, J-A. A., Diss. Abstr. Int. B, Vol. 38, p. 2691, 1977. 128. Shen, J

  16. Synthesis of electroactive ionic liquids for flow battery applications

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Travis Mark; Ingersoll, David; Staiger, Chad; Pratt, Harry

    2015-09-01

    The present disclosure is directed to synthesizing metal ionic liquids with transition metal coordination cations, where such metal ionic liquids can be used in a flow battery. A cation of a metal ionic liquid includes a transition metal and a ligand coordinated to the transition metal.

  17. Ionic liquid containing hydroxamate and N-alkyl sulfamate ions

    Energy Technology Data Exchange (ETDEWEB)

    Friesen, Cody A.; Wolfe, Derek; Johnson, Paul Bryan

    2016-03-15

    Embodiments of the invention are related to ionic liquids and more specifically to ionic liquids used in electrochemical metal-air cells in which the ionic liquid includes a cation and an anion selected from hydroxamate and/or N-alkyl sulfamate anions.

  18. Potentiostat for Characterizing Microstructures at Ionic Liquid/Electrode Interfaces

    Science.gov (United States)

    2015-10-10

    Characterizing Microstructures at Ionic Liquid /Electrode Interfaces Report Title This report details the procurement and integration of a multichannel...Haverhals, “Microstructure at the Ionic Liquid /Electrode Interface ”, 226th ECS Meeting, 8 October, 2014, Cancun, Mexico. (c) Presentations Received Paper...Technology Transfer FINAL REPORT “Potentiostat for Characterizing Microstructures at Ionic Liquid /Electrode Interfaces ” Proposal #: 66259CHRI

  19. Towards Li(Ni0.33Mn0.33Co0.33)O2/graphite batteries with ionic liquid-based electrolytes. I. Electrodes' behavior in lithium half-cells

    Science.gov (United States)

    Simonetti, E.; Maresca, G.; Appetecchi, G. B.; Kim, G.-T.; Loeffler, N.; Passerini, S.

    2016-11-01

    Lithium cells based on NMC cathodes or graphite anodes and ionic liquid-based electrolyte mixtures are investigated. The electrode tapes, using water-soluble natural binders, as well as the ionic liquid materials, are prepared through eco-friendly routes involving H2O as the only processing solvent. The Li/NMC and Li/graphite half-cells are studied by cyclic voltammetry, impedance spectroscopy and galvanostatic cycling tests at different temperatures. The results herein reported, demonstrate the performance improvement in terms of cycling behavior and ageing resistance, granted by the ionic liquid mixtures with respect to the electrolytes reported in literature based on a single ionic liquid.

  20. Photo-degradation of imidazolium ionic liquids

    OpenAIRE

    Katoh, Ryuzi; Takahashi, Kenji

    2009-01-01

    Degradation of imidazolium ionic liquid, [bmim+][TFSA-] and iodide solution of [bmim+][TFSA-] by UV-laser irradiation has been studied through ground-state absorption and transient absorption spectroscopy. We found that excited state [bmim+]* undergoes degradation efficiently. © 2009 Elsevier Ltd. All rights reserved.

  1. Esterification of Starch in Ionic Liquids

    Science.gov (United States)

    We shall discuss the use of various ionic liquids in the preparation of starch esters. Starch was reacted with vinyl acetate in different 1-butyl-3-methylimidazolium (bmim) salts as solvents in an effort to produce starches with different acetylation patterns. Overall degree of substitution (DS) w...

  2. Reactions of Starch in Ionic Liquids

    Science.gov (United States)

    We found that starches are found to be soluble at 80 ºC in ionic liquids such as 1-butyl-3-methylimidazolium chloride (BMIMCl) and 1-butyl-3-methylimidazolium dicyanamide (BMIMdca) in concentration up to 10% (w/w). Higher concentrations of biopolymers in these novel solvents resulted in solutions w...

  3. SANS analysis of aqueous ionic perfluoropolyether micelles

    CERN Document Server

    Gambi, C M C; Chittofrati, A; Pieri, R; Baglioni, P; Teixeira, J

    2002-01-01

    Preliminary SANS results of ionic chlorine terminated perfluoropolyether micelles in water are given. The experimental spectra have been analyzed by a two-shell ellipsoidal model for the micellar form factor and a screened Coulombic plus hard-sphere repulsion potential for the structure factor. (orig.)

  4. High H- ionic conductivity in barium hydride

    Science.gov (United States)

    Verbraeken, Maarten C.; Cheung, Chaksum; Suard, Emmanuelle; Irvine, John T. S.

    2015-01-01

    With hydrogen being seen as a key renewable energy vector, the search for materials exhibiting fast hydrogen transport becomes ever more important. Not only do hydrogen storage materials require high mobility of hydrogen in the solid state, but the efficiency of electrochemical devices is also largely determined by fast ionic transport. Although the heavy alkaline-earth hydrides are of limited interest for their hydrogen storage potential, owing to low gravimetric densities, their ionic nature may prove useful in new electrochemical applications, especially as an ionically conducting electrolyte material. Here we show that barium hydride shows fast pure ionic transport of hydride ions (H-) in the high-temperature, high-symmetry phase. Although some conductivity studies have been reported on related materials previously, the nature of the charge carriers has not been determined. BaH2 gives rise to hydride ion conductivity of 0.2 S cm-1 at 630 °C. This is an order of magnitude larger than that of state-of-the-art proton-conducting perovskites or oxide ion conductors at this temperature. These results suggest that the alkaline-earth hydrides form an important new family of materials, with potential use in a number of applications, such as separation membranes, electrochemical reactors and so on.

  5. Catalytic Alkene Metathesis in Ionic Liquids

    Science.gov (United States)

    Fischmeister, Cédric

    Olefin metathesis has found a tremendous number of application in the past 25 years. Immobilisation of olefin metathesis (pre)catalysts in room temperature ionic liquids (RTILs) offers the opportunity to recover and reuse the catalyst and also to reduce the level of ruthenium (Ru) contaminants in the products.

  6. Supported ionic liquid-phase (SILP) catalysis

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Wasserscheid, P.

    2005-01-01

    The concept of supported ionic liquid-phase (SILP) catalysis has been demonstrated for gas- and liquid-phase continuous fixed-bed reactions using rhodium phosphine catalyzed hydroformylation of propene and 1-octene as examples. The nature of the support had important influence on both the catalytic...

  7. Solvation and Reaction in Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Maroncelli, Mark

    2015-01-15

    The long-range goal of our DOE-sponsored research is to obtain a fundamental understanding of solvation effects on photo-induced charge transfer and related processes. Much of the focus during the past funding period has been on studies of ionic liquids and on characterizing various reactions with which to probe the nature of this interesting new solvent medium.

  8. Interaction between ionic lattices and superconducting condensates

    OpenAIRE

    2007-01-01

    The interaction of the ionic lattice with the superconducting condensate is treated in terms of the electrostatic force in superconductors. It is shown that this force is similar but not identical to the force suggested by the volume difference of the normal and superconducting states. The BCS theory shows larger deviations than the two-fluid model.

  9. Multiplexed ionic current sensing with glass nanopores.

    Science.gov (United States)

    Bell, Nicholas A W; Thacker, Vivek V; Hernández-Ainsa, Silvia; Fuentes-Perez, Maria E; Moreno-Herrero, Fernando; Liedl, Tim; Keyser, Ulrich F

    2013-05-21

    We report a method for simultaneous ionic current measurements of single molecules across up to 16 solid state nanopore channels. Each device, costing less than $20, contains 16 glass nanopores made by laser assisted capillary pulling. We demonstrate simultaneous multichannel detection of double stranded DNA and trapping of DNA origami nanostructures to form hybrid nanopores.

  10. Superconductivity from doublon condensation in the ionic Hubbard model

    Science.gov (United States)

    Samanta, Abhisek; Sensarma, Rajdeep

    2016-12-01

    In the ionic Hubbard model, the on-site repulsion U , which drives a Mott insulator, and the ionic potential V , which drives a band insulator, compete with each other to open up a window of charge fluctuations when U ˜V . We study this model on square and cubic lattices in the limit of large U and V , with V ˜U . Using an effective Hamiltonian and a slave-boson approach with both doublons and holons, we find that the system undergoes a phase transition as a function of V from an antiferromagnetic Mott insulator to a paramagnetic insulator with strong singlet correlations, which is driven by a condensate of "neutral" doublon-holon pairs. On further increasing V , the system undergoes another phase transition to a superconducting phase driven by condensate of "charged" doublons and holons. The superfluid phase, characterized by the presence of a coherent (but gapped) fermionic quasiparticle and h c /e flux quantization, has a high Tc˜t , which shows a dome-shaped behavior as a function of V . The paramagnetic insulator phase has a deconfined U(1) gauge field and associated gapless photon excitations. We also discuss how these phases can be detected in the ultracold-atom context.

  11. Recent advances of ionic liquids and polymeric ionic liquids in capillary electrophoresis and capillary electrochromatography.

    Science.gov (United States)

    Tang, Sheng; Liu, Shujuan; Guo, Yong; Liu, Xia; Jiang, Shengxiang

    2014-08-29

    Ionic liquids (ILs) and polymeric ionic liquids (PILs) with unique and fascinating properties have drawn considerable interest for their use in separation science, especially in chromatographic techniques. In this article, significant contributions of ILs and PILs in the improvement of capillary electrophoresis and capillary electrochromatography are described, and a specific overview of the most relevant examples of their applications in the last five years is also given. Accordingly, some general conclusions and future perspectives in these areas are discussed.

  12. VOC and HAP recovery using ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Michael R. Milota : Kaichang Li

    2007-05-29

    During the manufacture of wood composites, paper, and to a lesser extent, lumber, large amounts of volatile organic compounds (VOCs) such as terpenes, formaldehyde, and methanol are emitted to air. Some of these compounds are hazardous air pollutants (HAPs). The air pollutants produced in the forest products industry are difficult to manage because the concentrations are very low. Presently, regenerative thermal oxidizers (RTOs and RCOs) are commonly used for the destruction of VOCs and HAPs. RTOs consume large amounts of natural gas to heat air and moisture. The combustion of natural gas generates increased CO2 and NOx, which have negative implications for global warming and air quality. The aforementioned problems are addressed by an absorption system containing a room-temperature ionic liquid (RTIL) as an absorbent. RTILs are salts, but are in liquid states at room temperature. RTILs, an emerging technology, are receiving much attention as replacements for organic solvents in industrial processes with significant cost and environmental benefits. Some of these processes include organic synthesis, extraction, and metal deposition. RTILs would be excellent absorbents for exhausts from wood products facilities because of their unique properties: no measurable vapor pressure, high solubility of wide range of organic compounds, thermal stability to 200°C (almost 400°F), and immisciblity with water. Room temperature ionic liquids were tested as possible absorbents. Four were imidizolium-based and were eight phosphonium-based. The imidizolium-based ionic liquids proved to be unstable at the conditions tested and in the presence of water. The phosphonium-based ionic liquids were stable. Most were good absorbents; however, cleaning the contaminates from the ionic liquids was problematic. This was overcome with a higher temperature (120°C) than originally proposed and a very low pressure (1 kPa. Absorption trials were conducted with tetradecy

  13. Design of Energetic Ionic Liquids

    Science.gov (United States)

    2011-04-27

    design of energetic ILs, is the application of robust theoretical methods for the reliable prediction of IL heats of formation, synthesis routes, phase... synthesis of the next generation of monopropellants for rocket propulsion applications. 2. Computational Methods An integrated approach...bonded complex between the neutral 1,2,4- triazole and dinitramine molecules, as shown in Figure 1. An ion pair in the presence of a single water

  14. Comparative Investigation of the Ionicity of Aprotic and Protic Ionic Liquids in Molecular Solvents by using Conductometry and NMR Spectroscopy.

    Science.gov (United States)

    Thawarkar, Sachin; Khupse, Nageshwar D; Kumar, Anil

    2016-04-01

    Electrical conductivity (σ), viscosity (η), and self-diffusion coefficient (D) measurements of binary mixtures of aprotic and protic imidazolium-based ionic liquids with water, dimethyl sulfoxide, and ethylene glycol were measured from 293.15 to 323.15 K. The temperature dependence study reveals typical Arrhenius behavior. The ionicities of aprotic ionic liquids were observed to be higher than those of protic ionic liquids in these solvents. The aprotic ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate, [bmIm][BF4 ], displays 100 % ionicity in both water and ethylene glycol. The protic ionic liquids in both water and ethylene glycol are classed as good ionic candidates, whereas in DMSO they are classed as having a poor ionic nature. The solvation dynamics of the ionic species of the ionic liquids are illustrated on the basis of the (1) H NMR chemical shifts of the ionic liquids. The self-diffusion coefficients D of the cation and anion of [HmIm][CH3 COO] in D2 O and in [D6 ]DMSO are determined by using (1) H nuclei with pulsed field gradient spin-echo NMR spectroscopy.

  15. Supported ionic liquid membranes for removal of dioxins from high-temperature vapor streams.

    Science.gov (United States)

    Kulkarni, Prashant S; Neves, Luisa A; Coelhoso, Isabel M; Afonso, Carlos A M; Crespo, João G

    2012-01-03

    Dioxins and dioxin-like chemicals are predominantly produced by thermal processes such as incineration and combustion at concentrations in the range of 10-100 ng of I-TEQ/kg (I-TEQ = international toxic equivalents). In this work, a new approach for the removal of dioxins from high-temperature vapor streams using facilitated supported ionic liquid membranes (SILMs) is proposed. The use of ceramic membranes containing specific ionic liquids, with extremely low volatility, for dioxin removal from incineration sources is proposed owing to their stability at very high temperatures. Supported liquid membranes were prepared by successfully immobilizing the ionic liquids tri-C(8)-C(10)-alkylmethylammonium dicyanamide ([Aliquat][DCA]) and 1-n-octyl-3-methylimidazolium dicyanamide ([Omim][DCA]) inside the porous structure of ceramic membranes. The porous inorganic membranes tested were made of titanium oxide (TiO(2)), with a nominal pore size of 30 nm, and aluminum oxide (Al(2)O(3)), with a nominal pore size of 100 nm. The ionic liquids were characterized, and the membrane performance was assessed for the removal of dioxins. Different materials (membrane pore size, type of ionic liquid, and dioxin) and different operating conditions (temperature and flow rate) were tested to evaluate the efficiency of SILMs for dioxin removal. All membranes prepared were stable at temperatures up to 200 °C. Experiments with model incineration gas were also carried out, and the results obtained validate the potential of using ceramic membranes with immobilized ionic liquids for the removal of dioxins from high-temperature vapor sources.

  16. Multiple headspace extraction for gas detection in ionic liquids.

    Science.gov (United States)

    Müller, D; Fühl, M; Pinkwart, K; Baltes, N

    2014-10-16

    In this study multiple headspace extraction was used for the first time to measure the saturation concentration of carbon monoxide and oxygen in various ionic liquids (ILs). Many processes in ILs involve the reaction of gases so that the reactant solubility is not a mere characteristical parameter, but understanding the solubility of gases in ILs is required for assessing the feasibility of possible applications. Multiple headspace extraction has proofed to be a powerful tool to obtain solubilities in good accordance with literature data. The measured saturation concentration for carbon monoxide and oxygen in ILs based on rarely researched tetracyanoborates and other anions was in the range of 1.5-6.5mmol/L. The great advantage of multiple headspace extraction is that it is a nonexpensive method that can be realised in most analytical laboratories by combination of a simple gas chromatograph and an eligible headspace injector.

  17. $\\beta$-NMR of copper isotopes in ionic liquids

    CERN Multimedia

    We propose to test the feasibility of spin-polarization and $\\beta$-NMR studies on several short-lived copper isotopes, $^{58}$ Cu, $^{74}$Cu and $^{75}$Cu in crystals and liquids. The motivation is given by biological studies of Cu with $\\beta$-NMR in liquid samples, since Cu is present in a large number of enzymes involved in electron transfer and activation of oxygen. The technique is based on spin-polarization via optical pumping in the new VITO beamline. We will use the existing lasers, NMR magnet and NMR chambers and we will prepare a new optical pumping system. The studies will be devoted to tests of achieved $\\beta$-asymmetry in solid hosts, the behaviour of asymmetry when increasing vacuum, and finally NMR scans in ionic liquids. The achieved spin polarization will be also relevant for the plans to measure with high precision the magnetic moments of neutron-rich Cu isotopes.

  18. Supported ionic liquids: versatile reaction and separation media

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Haumann, Marco;

    2006-01-01

    The latest developments in supported ionic liquid phase (SILP) systems for catalysis and separation technology are surveyed. The SILP concept combines the advantages of homogeneous catalysis with heterogeneous process technology, and a variety of reactions have been studied where supported ionic ...... liquid catalysts proved to be more active and selective than common systems. In separation applications the use of supported ionic liquids can facilitate selective transport of substrates across membranes.......The latest developments in supported ionic liquid phase (SILP) systems for catalysis and separation technology are surveyed. The SILP concept combines the advantages of homogeneous catalysis with heterogeneous process technology, and a variety of reactions have been studied where supported ionic...

  19. A novel family of green ionic liquids with surface activities

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Ionic liquids have many unique properties as a new and remarkable class of environmental benign solvents,which promises widespread applications in industry and other areas. However,the ionic liq-uids with surface activity are rarely reported. In this work,a series of novel ionic liquids was synthe-sized by using N-methyl-2-pyrrolidone and alkyl bromide. The physical properties of this family of ionic liquids have been characterized,which shows that these compounds have ionic liquids characteristics,surface activity and biocompatibility.

  20. Aquivalence revisited--new model formulation and application to assess environmental fate of ionic pharmaceuticals in Hamilton Harbour, Lake Ontario.

    Science.gov (United States)

    Csiszar, Susan A; Gandhi, Nilima; Alexy, Radka; Benny, Donald T; Struger, John; Marvin, Chris; Diamond, Miriam L

    2011-07-01

    A model formulation based on "aquivalence", as defined in terms of activity is presented to estimate the multimedia fate of ionizing chemicals. The aquivalence approach is analogous to fugacity but aquivalence is applicable to neutral and ionizing compounds, and has been applied previously to speciating chemicals, notably metals. The new aquivalence-based mass-balance model treats ionizing organic compounds that exist as interconverting neutral and ionic species which are subject to fate processes at differing rates. The model is illustrated by application to four ionizing pharmaceuticals in Hamilton Harbour, Lake Ontario. At the system pH of 7.9-8.5, ibuprofen, gemfibrozil, and naproxen are expected to be almost entirely ionic and triclosan split between ionic and neutral forms. Measured seasonal surface water concentrations, which were 2-10 times lower in the late summer and fall than during spring, were used to solve for unknown values of chemical half-life in the water column due to degradation (photo- and bio-) of the ionizing and neutral forms and secondarily, ionic sorption coefficients of the ionizing forms. Model estimates of half-lives in the habour's water ranged from 11 to 77, 11 to 147 and 10 to 37 for ionic ibuprofen, gemfibrozil, and naproxen, respectively; and 4-22 days and 2-9 days for ionic and neutral triclosan, respectively, with the shortest half-lives in spring and the longest in summer.

  1. Ion transport and softening in a polymerized ionic liquid

    Science.gov (United States)

    Kumar, Rajeev; Bocharova, Vera; Strelcov, Evgheni; Tselev, Alexander; Kravchenko, Ivan I.; Berdzinski, Stefan; Strehmel, Veronika; Ovchinnikova, Olga S.; Minutolo, Joseph A.; Sangoro, Joshua R.; Agapov, Alexander L.; Sokolov, Alexei P.; Kalinin, Sergei V.; Sumpter, Bobby G.

    2014-12-01

    Polymerized ionic liquids (PolyILs) are promising materials for various solid state electronic applications such as dye-sensitized solar cells, lithium batteries, actuators, field-effect transistors, light emitting electrochemical cells, and electrochromic devices. However, fundamental understanding of interconnection between ionic transport and mechanical properties in PolyILs is far from complete. In this work, local charge transport and structural changes in films of a PolyIL are studied using an integrated experiment-theory based approach. Experimental data for the kinetics of charging and steady state current-voltage relations can be explained by taking into account the dissociation of ions under an applied electric field (known as the Wien effect). Onsager's theory of the Wien effect coupled with the Poisson-Nernst-Planck formalism for the charge transport is found to be in excellent agreement with the experimental results. The agreement between the theory and experiments allows us to predict structural properties of the PolyIL films. We have observed significant softening of the PolyIL films beyond certain threshold voltages and formation of holes under a scanning probe microscopy (SPM) tip, through which an electric field was applied. The observed softening is explained by the theory of depression in glass transition temperature resulting from enhanced dissociation of ions with an increase in applied electric field.Polymerized ionic liquids (PolyILs) are promising materials for various solid state electronic applications such as dye-sensitized solar cells, lithium batteries, actuators, field-effect transistors, light emitting electrochemical cells, and electrochromic devices. However, fundamental understanding of interconnection between ionic transport and mechanical properties in PolyILs is far from complete. In this work, local charge transport and structural changes in films of a PolyIL are studied using an integrated experiment-theory based approach

  2. Interactions in ion pairs of protic ionic liquids: comparison with aprotic ionic liquids.

    Science.gov (United States)

    Tsuzuki, Seiji; Shinoda, Wataru; Miran, Md Shah; Kinoshita, Hiroshi; Yasuda, Tomohiro; Watanabe, Masayoshi

    2013-11-01

    The stabilization energies for the formation (E(form)) of 11 ion pairs of protic and aprotic ionic liquids were studied by MP2/6-311G** level ab initio calculations to elucidate the difference between the interactions of ions in protic ionic liquids and those in aprotic ionic liquids. The interactions in the ion pairs of protic ionic liquids (diethylmethylammonium [dema] and dimethylpropylammonium [dmpa] based ionic liquids) are stronger than those of aprotic ionic liquids (ethyltrimethylammonium [etma] based ionic liquids). The E(form) for the [dema][CF3SO3] and [dmpa][CF3SO3] complexes (-95.6 and -96.4 kcal/mol, respectively) are significantly larger (more negative) than that for the [etma][CF3SO3] complex (-81.0 kcal/mol). The same trend was observed for the calculations of ion pairs of the three cations with the Cl(-), BF4(-), TFSA(-) anions. The anion has contact with the N-H bond of the dema(+) or dmpa(+) cations in the most stable geometries of the dema(+) and dmpa(+) complexes. The optimized geometries, in which the anions locate on the counter side of the cations, are 11.0-18.0 kcal/mol less stable, which shows that the interactions in the ions pairs of protic ionic liquids have strong directionality. The E(form) for the less stable geometries for the dema(+) and dmpa(+) complexes are close to those for the most stable etma(+) complexes. The electrostatic interaction, which is the major source of the attraction in the ion pairs, is responsible for the directionality of the interactions and determining the magnitude of the interaction energy. Molecular dynamic simulations of the [dema][TFSA] and [dmpa][TFSA] ionic liquids show that the N-H bonds of the cations have contact with the negatively charged (oxygen and nitrogen) atoms of TFSA(-) anion, while the strong directionality of the interactions was not suggested from the simulation of the [etma][CF3SO3] ionic liquid.

  3. Structure, ionic conductivity and mobile carrier density in fast ionic conducting chalcogenide glasses

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Wenlong [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    This thesis consists of six sections. The first section gives the basic research background on the ionic conduction mechanism in glass, polarization in the glass, and the method of determining the mobile carrier density in glass. The proposed work is also included in this section. The second section is a paper that characterizes the structure of MI + M2S + (0.1 Ga2S3 + 0.9 GeS2) (M = Li, Na, K and Cs) glasses using Raman and IR spectroscopy. Since the ionic radius plays an important role in determining the ionic conductivity in glasses, the glass forming range for the addition of different alkalis into the basic glass forming system 0.1 Ga2S3 + 0.9 GeS2 was studied. The study found that the change of the alkali radius for the same nominal composition causes significant structure change to the glasses. The third section is a paper that investigates the ionic conductivity of MI + M2S + (0.1Ga2S3 + 0.9 GeS2) (M = Li, Na, K and Cs) glasses system. Corresponding to the compositional changes in these fast ionic conducting glasses, the ionic conductivity shows changes due to the induced structural changes. The ionic radius effect on the ionic conductivity in these glasses was investigated. The fourth section is a paper that examines the mobile carrier density based upon the measurements of space charge polarization. For the first time, the charge carrier number density in fast ionic conducting chalcogenide glasses was determined. The experimental impedance data were fitted using equivalent circuits and the obtained parameters were used to determine the mobile carrier density. The influence of mobile carrier density and mobility on the ionic conductivity was separated. The fifth section is a paper that studies the structures of low-alkali-content Na2S + B2S3 (x ≤ 0.2) glasses by neutron and synchrotron x-ray diffraction

  4. Hydrogen production from glucose in ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Assenbaum, D.W.; Taccardi, N.; Berger, M.E.M.; Boesmann, A.; Enzenberger, F.; Woelfel, R.; Wasserscheid, P. [Erlangen-Nuernberg Univ. (Germany). Lehrstuhl fuer chemische Reaktionstechnik

    2010-07-01

    technologies suffer from the fact that the overall reaction rates are often restricted by mass and heat transport problems. Lastly, there are severe limitations concerning the feedstock selection as for some important substrates, such as e.g. glucose, the process can only be operated in very diluted systems to avoid rapid tar formation [22,23,24]. In this contribution we describe for the first time a catalytic reaction system producing hydrogen from glucose in astonishingly high selectivities using a single reaction step under very mild conditions. The catalytic reaction system is characterized by its homogeneous nature and comprises a Ru-complex catalyst dissolved and stabilized in an ionic liquid medium. Ionic liquids are salts of melting points below 100 C [25]. These liquid materials have attracted much interest in the last decade as solvents for catalytic reactions [26] and separation technologies (extraction, distillation) [27,28,29,30,31,32]. Besides, these liquids have found industrial applications as process fluids for mechanic [33] and electrochemical applications [34]. Finally, from the pioneering work of Rogers and co-workers, it is known that ionic liquids are able to dissolve significant amounts of water-insoluble biopolymers (such as e.g. cellulose and chitin)[35] and even complex biopolymer mixtures, such as e.g. wood, have been completely dissolved in some ionic liquids [36]. In our specific application, the role of the ionic liquid is threefold: a) the ionic liquid dissolves the carbohydrate starting material thus expanding the range of applicable carbohydrate to water insoluble polymers; b) the ionic liquid provides a medium to dissolve and stabilize the catalyst; c) the ionic liquid dissolves hydrogen at a very low level, so inhibiting any possible collateral hydrogen-consuming process (detailed investigation of the hydrogen solubility in ionic liquids have been reported by e.g. Brennecke and coworkers [37]). (orig.)

  5. Periodicity and map for discovery of new ionic liquids

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    There is virtually no limit in the number of ionic liquids. How to select proper ones or discover new ones with desirable properties in such a large pool of ionic liquids? It has become a bottleneck in the researches and applications of ionic liquids. Mendeleev's periodic law states that the properties of the elements vary periodically. Whether the similar regularity exists among ionic or molecular fragments of compounds is an interesting topic. In this work, we attempted to establish a periodicity and draw a "map" of ionic liquids for providing definite guidance to discover, design, and select the proper ionic liquids rather than trial-and-error. If a complete regularity of the system of ionic liquids can be finally established in the future, we are near an epoch in understanding the existing differences and the reasons for the similarity of the ions or molecular fragments.

  6. [Advances of poly (ionic liquid) materials in separation science].

    Science.gov (United States)

    Liu, Cuicui; Guo, Ting; Su, Rina; Gu, Yuchen; Deng, Qiliang

    2015-11-01

    Ionic liquids, as novel ionization reagents, possess beneficial characteristics including good solubility, conductivity, thermal stability, biocompatibility, low volatility and non-flammability. Ionic liquids are attracting a mass of attention of analytical chemists. Poly (ionic liquid) materials have common performances of ionic liquids and polymers, and have been successfully applied in separation science area. In this paper, we discuss the interaction mechanisms between the poly(ionic liquid) materials and analytes including hydrophobic/hydrophilic interactions, hydrogen bond, ion exchange, π-π stacking and electrostatic interactions, and summarize the application advances of the poly(ionic liquid) materials in solid phase extraction, chromatographic separation and capillary electrophoresis. At last, we describe the future prospect of poly(ionic liquid) materials.

  7. Remarkable rate acceleration of SmI3-mediated iodination of acetates of Baylis-Hillman adducts in ionic liquid: facile synthesis of (Z)-allyl iodides

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Stereoselective transformation of Baylis-Hillman acetates 1 into corresponding (Z)-allyl iodides 2 has been achieved by treatment of 1 with samarium triiodide in THF. Remarkable rate acceleration of samarium triiodide-mediated iodination of 1 was found when ionic liquid 1-n-butyl-3-methyl-imidazolium tetrafluroborate ([bmim]BF4) was used as reaction media in stead of THF. This novel approach proceeds readily at 50 ℃ within a few minutes to afford (Z)-allyl iodides 2 in excellent yields. A mechanism involving stereoselective iodination of the acetates of Baylis-Hillman adducts by samarium triiodide is described, in which a six-membered ring transition state played a key role in the stereoselective formation of 2.

  8. Oxidation of Group 8 transition-Metal Hydrides and Ionic Hydrogenation of Ketones and Aldehydes

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Kjell-Tore

    1996-08-01

    Transition-metal hydrides have received considerable attention during the last decades because of their unusual reactivity and their potential as homogeneous catalysts for hydrogenation and other reactions of organic substrates. An important class of catalytic processes where transition-metal hydrides are involved is the homogeneous hydrogenation of alkenes, alkynes, ketones, aldehydes, arenes and nitro compounds. This thesis studies the oxidation of Group 8 transition-metal hydrides and the ionic hydrogenation of ketones and aldehydes.

  9. Direct conversion of glucose to 5-(hydroxymethyl)furfural in ionic liquids with lanthanide catalysts

    DEFF Research Database (Denmark)

    Ståhlberg, Tim; Sørensen, Mathilde Grau; Riisager, Anders

    2010-01-01

    The direct conversion of glucose to 5-(hydroxymethyl)furfural (HMF) in ionic liquids with lanthanide catalysts was examined in search of a possibly more environmentally feasible process not involving chromium. The highest HMF yield was obtained with ytterbium chloride or triflate together...... with alkylimidazolium chlorides. Notably, a higher reactivity was observed when the hydrophobicity of the imidazolium cation was increased, in contrast to analogous chromium catalyst systems. This indicates a different reaction mechanism for the lanthanides than for the chromium catalyst systems....

  10. Neptunium(V) Adsorption to Bacteria at Low and High Ionic Strength

    Science.gov (United States)

    Ams, D.; Swanson, J. S.; Reed, D. T.

    2010-12-01

    Np(V) is expected to be the predominant oxidation state of neptunium in aerobic natural waters. Np(V), as the NpO2+ aquo and associated complexed species, is readily soluble, interacts weakly with geologic media, and has a high redox stability under a relatively wide range of subsurface conditions. These chemical properties, along with a long half-life make it a primary element of concern regarding long-term nuclear waste storage and subsurface containment. The fate and transport of neptunium in the environment may be influenced by adsorption onto bacterial surfaces. The adsorption of neptunium to bacterial surfaces ties the mobility of the contaminant to the mobility of the bacterium. In this study, the adsorption of the neptunyl (NpO2+) ion was evaluated at low ionic strength on a common soil bacterium and at high ionic strength on a halophilic bacterium isolated from a briny groundwater near the Waste Isolation Pilot Plant (WIPP) in southeast New Mexico. Adsorption experiments were performed in batch reactors as a function of pH, ionic strength, and bacteria/Np mass ratio. Np(V) adsorption was modeled using a surface complexation approach with the mathematical program FITEQL to determine functional group specific binding constants. The data from acid and base titrations of the bacteria used were also modeled to estimate the concentrations and deprotonation constants of discrete bacterial surface functional groups. Bacterial functional group characteristics and Np(V) adsorption behavior between the soil bacterium and the halophilic bacterium were compared. These results highlight key similarities and differences in actinide adsorption behavior in environments of significantly different ionic strength. The observed adsorption behavior may be linked to similarities and differences in the characteristics of the moieties between the cell walls of common gram-negative soil and halophilic bacteria. Moreover, differences in adsorption behavior may also reflect ionic

  11. Quantum Decoherence Timescales for Ionic Superposition States in Ion Channels

    CERN Document Server

    Salari, V; Fazileh, F; Shahbazi, F

    2014-01-01

    There are many controversial and challenging discussions about quantum effects in microscopic structures in neurons of the human brain. The challenge is mainly because of quick decoherence of quantum states due to hot, wet and noisy environment of the brain which forbids long life coherence for brain processing. Despite these critical discussions, there are only a few number of published papers about numerical aspects of decoherence in neurons. Perhaps the most important issue is offered by Max Tegmark who has calculated decoherence times for the systems of "ions" and "microtubules" in neurons of the brain. In fact, Tegmark did not consider ion channels which are responsible for ions displacement through the membrane and are the building blocks of electrical membrane signals in the nervous system. Here, we would like to re-investigate decoherence times for ionic superposition states by using the data obtained via molecular dynamics simulations. Our main approach is according to what Tegmark has used before. I...

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

    Science.gov (United States)

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

    2014-12-01

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

  13. Characterization of [bmim]Cl/FeCl3 Ionic Liquid with Spectra

    Institute of Scientific and Technical Information of China (English)

    SunXuewen; ZhaoSuoqi; ZhangMin

    2005-01-01

    [bmim]Cl/FeCl3 ionic liquids (where bmim = 1-buty1-3-methylimidazolium) were characterized by XPS (X-ray photoelectron spectroscopy), FT-IR (Fourier transform infrared spectroscopy), Raman and NMR (nuclear magnetic resonance) spectra. The results show that Fe2Cl7- and FeCl4- ions are the principal anions in acidic ionic liquids, whose concentrations change with the content of FeCl3 and an equilibrium exists between them. An isosbestic point existing in FT-IR spectra indicates that an interaction involving at least two species occurs and their concentrations vary with acidity.Chemical shifts of the hydrogen located in the cations of ionic liquids are sensitive to the composition of ionic liquids.The change in chemical shifts may be explained in terms of anion-cation interactions. The chemical shifts of 2-H are affected by metal halides, which shift downfield and the 2-H is more deshielded with the increase in metal halides.

  14. Enhanced Mixed Electronic-Ionic Conductors through Cation Ordering

    Energy Technology Data Exchange (ETDEWEB)

    Jacobson, Allan J. [Univ. of Houston, TX (United States); Morgan, Dane [Univ. of Wisconsin, Madison, WI (United States); Grey, Clare [Stony Brook Univ., NY (United States)

    2014-08-31

    The performance of many energy conversion and storage devices depend on the properties of mixed ionic-electronic conducting (miec) materials. Mixed or ambipolar conductors simultaneously transport ions and electrons and provide the critical interface between chemical and electrical energy in devices such as fuel cells, ion transport membranes, and batteries. Enhancements in storage capacity, reversibility, power density and device lifetime all require new materials and a better understanding of the fundamentals of ambipolar conductivity and surface reactivity.The high temperature properties of the ordered perovksites AA’B2O5+x, where A = rare earth ion, Y and B = Ba, Sr were studied. The work was motivated by the high oxygen transport and surface exchange rates observed for members of this class of mixed ionic and electronic conductors. A combined experimental and computational approach, including structural, electrochemical, and transport characterization and modeling was used. The approach attacks the problem simultaneously at global (e.g., neutron diffraction and impedance spectroscopy), local (e.g., pair distribution function, nuclear magnetic resonance) and molecular (ab initio thermokinetic modeling) length scales. The objectives of the work were to understand how the cation and associated anion order lead to exceptional ionic and electronic transport properties and surface reactivity in AA’B2O5+x perovskites. A variety of compounds were studied by X-ray and neutron diffraction, measurements of thermodynamics and transport and theoretically. These included PrBaCo2O5+x and NdBaCo2O5+x, PrBaCo2-xFexO6- δ (x = 0, 0.5, 1.0, 1.5 and 2) and LnBaCoFeO6- δ (Ln = La, Pr, Nd, Sm, Eu and Gd), Sr3YCo4O10.5, YBaMn2O5+x. A0.5A’0.5BO3 (where A=Y, Sc, La, Ce, Pr, Nd, Pm, Sm; A’= Sr

  15. Ionic liquid-based microwave-assisted extraction of rutin from Chinese medicinal plants.

    Science.gov (United States)

    Zeng, Huan; Wang, Yuzhi; Kong, Jinhuan; Nie, Chan; Yuan, Ya

    2010-12-15

    An ionic liquid-based microwave-assisted extraction (ILMAE) method has been developed for the effective extraction of rutin from Chinese medicinal plants including Saururus chinensis (Lour.) Bail. (S. chinensis) and Flos Sophorae. A series of 1-butyl-3-methylimidazolium ionic liquids with different anions were investigated. The results indicated that the characteristics of anions have remarkable effects on the extraction efficiency of rutin and among the investigated ionic liquids, 1-butyl-3-methylimidazolium bromide ([bmim]Br) aqueous solution was the best. In addition, the ILMAE procedures for the two kinds of medicinal herbs were also optimized by means of a series of single factor experiments and an L(9) (3(4)) orthogonal design. Compared with the optimal ionic liquid-based heating extraction (ILHE), marinated extraction (ILME), ultrasonic-assisted extraction (ILUAE), the optimized approach of ILMAE gained higher extraction efficiency which is 4.879 mg/g in S. chinensis with RSD 1.33% and 171.82 mg/g in Flos Sophorae with RSD 1.47% within the shortest extraction time. Reversed phase high performance liquid chromatography (RP-HPLC) with ultraviolet detection was employed for the analysis of rutin in Chinese medicinal plants. Under the optimum conditions, the average recoveries of rutin from S. chinensis and Flos Sophorae were 101.23% and 99.62% with RSD lower than 3%, respectively. The developed approach is linear at concentrations from 42 to 252 mg L(-1) of rutin solution, with the regression coefficient (r) at 0.99917. Moreover, the extraction mechanism of ILMAE and the microstructures and chemical structures of the two researched samples before and after extraction were also investigated. With the help of LC-MS, it was future demonstrated that the two researched herbs do contain active ingredient of rutin and ionic liquids would not influence the structure of rutin.

  16. In situ spectroscopic investigation of the cobalt-catalyzed oxidation of lignin model compounds in ionic liquids

    NARCIS (Netherlands)

    Zakzeski, J.; Bruijnincx, P.C.A.; Weckhuysen, B.M.

    2011-01-01

    The cobalt-catalyzed oxidation of lignin and lignin model compounds using molecular oxygen in ionic liquids proceeds readily under mild conditions, but mechanistic insight and evidence for the species involved in the catalytic cycle is lacking. In this study, a spectroscopic investigation of the com

  17. Supramolecular ionic liquid based on graphene oxide.

    Science.gov (United States)

    Zeng, Chunfang; Tang, Zhenghai; Guo, Baochun; Zhang, Liqun

    2012-07-28

    For the purpose of preparing liquefied graphene oxide (GO), a process consisting of sulfonation with sodium sulfanilic acid and ionization with bulky amine-terminated Jeffamine® was designed and performed. The obtained hybrid fluid is actually a supramolecular ionic liquid (SIL) with sulfonated GO as the central anions and the terminal ammonium groups of Jeffamine® as the surrounding cations. The successful grafting of the GO sheets with Jeffamine®via an ionic structure was verified and the morphology of the SIL was characterized. The SIL based on GO (GO-SIL) exhibits excellent solubility and amphiphilicity. The rheological measurements confirm the essential viscoelasticity and the liquid-like behavior of GO-SIL. The present GO based SIL suggests promising applications in the fabrication of various GO or graphene based composite materials. In addition, the new functionalization method may guide the future work on acquiring derivatives with tunable properties by simply changing the bulky canopy.

  18. Ionic conduction in the solid state

    Indian Academy of Sciences (India)

    P Padma Kumar; S Yashonath

    2006-01-01

    Solid state ionic conductors are important from an industrial viewpoint. A variety of such conductors have been found. In order to understand the reasons for high ionic conductivity in these solids, there have been a number of experimental, theoretical and computational studies in the literature. We provide here a survey of these investigations with focus on what is known and elaborate on issues that still remain unresolved. Conductivity depends on a number of factors such as presence of interstitial sites, ion size, temperature, crystal structure etc. We discuss the recent results from atomistic computer simulations on the dependence of conductivity in NASICONs as a function of composition, temperature, phase change and cation among others. A new potential for modelling of NASICON structure that has been proposed is also discussed.

  19. Structure of room temperature ionic liquids

    Science.gov (United States)

    Yethiraj, Arun

    2016-10-01

    The structure of room temperature ionic liquids is studied using molecular dynamics simulations and integral equation theory. Three ionic liquids 1-alkyl-3-methylimidazolium hexfluorophosphate, [C n MIM] [PF6], for n  =  1, 4, and 8, are studied using a united atom model of the ions. The primary interest is a study of the pair correlation functions and a test of the reference interaction site model theory. There is liquid-like ordering in the liquid that arises from electrostatic attractions and steric packing considerations. The theory is not in quantitative agreement with the simulation results and underestimates the degree of liquid-like order. A pre-peak in the static structure factor is seen in both simulations and theory, suggesting that this is a geometric effect arising from a packing of the alkyl chains.

  20. Dissolution enthalpies of cellulose in ionic liquids.

    Science.gov (United States)

    Parviainen, Helena; Parviainen, Arno; Virtanen, Tommi; Kilpeläinen, Ilkka; Ahvenainen, Patrik; Serimaa, Ritva; Grönqvist, Stina; Maloney, Thaddeus; Maunu, Sirkka Liisa

    2014-11-26

    In this work, interactions between cellulose and ionic liquids were studied calorimetrically and by optical microscopy. Two novel ionic liquids (1,5-Diazabicyclo[4.3.0]non-5-enium propionate and N-methyl-1,5-diazabicyclo[4.3.0]non-5-enium dimethyl phosphate) and 1-ethyl-3-methylimidazolium acetate-water mixtures were used as solvents. Optical microscopy served in finding the extent of dissolution and identifying the dissolution pattern of the cellulose sample. Calorimetric studies identified a peak relating to dissolution of cellulose in solvent. The transition did, however, not indicate complete dissolution, but rather dissolution inside fibre or fibrils. This method was used to study differences between four cellulose samples with different pretreatment or origins.

  1. Chitosan drug binding by ionic interaction.

    Science.gov (United States)

    Boonsongrit, Yaowalak; Mitrevej, Ampol; Mueller, Bernd W

    2006-04-01

    Three model drugs (insulin, diclofenac sodium, and salicylic acid) with different pI or pKa were used to prepare drug-chitosan micro/nanoparticles by ionic interaction. Physicochemical properties and entrapment efficiencies were determined. The amount of drug entrapped in the formulation influences zeta potential and surface charge of the micro/nanoparticles. A high entrapment efficiency of the micro/nanoparticles could be obtained by careful control of formulation pH. The maximum entrapment efficiency did not occur in the highest ionization range of the model drugs. The high burst release of drugs from chitosan micro/nanoparticles was observed regardless of the pH of dissolution media. It can be concluded that the ionic interaction between drug and chitosan is low and too weak to control the drug release.

  2. Self-propelled chemotactic ionic liquid droplets

    OpenAIRE

    Francis, Wayne; Fay, Cormac; Florea, Larisa; Diamond, Dermot

    2015-01-01

    Herein we report the chemotactic behaviour of self-propelled droplets composed solely of the ionic liquid trihexyl(tetradecyl)phosphonium chloride ([P6,6,6,14][Cl]). These droplets spontaneously move along an aqueous-air boundary in the direction of chloride gradients to specific destinations due to asymmetric release of [P6,6,6,14]+ cationic surfactant from the droplet into the aqueous phase.

  3. Polarization effects in ionic solids and melts

    OpenAIRE

    Salanne, Mathieu; Madden, Paul A.

    2015-01-01

    Ionic solids and melts are compounds in which the interactions are dominated by electrostatic effects. However, the polarization of the ions also plays an important role in many respects as has been clarified in recent years thanks to the development of realistic polarizable interaction potentials. After detailing these models, we illustrate the importance of polarization effects on a series of examples concerning the structural properties, such as the stabilization of particular crystal stru...

  4. Supported ionic liquids fundamentals and applications

    CERN Document Server

    Fehrmann, Rasmus; Haumann, Marco

    2013-01-01

    This unique book gives a timely overview about the fundamentals and applications of supported ionic liquids in modern organic synthesis. It introduces the concept and synthesis of SILP materials and presents important applications in the field of catalysis (e.g. hydroformylation, hydrogenation, coupling reactions, fine chemical synthesis) as well as energy technology and gas separation. Written by pioneers in the field, this book is an invaluable reference book for organic chemists in academia or industry.

  5. INTERACTION OF IONIC LIQUIDS WITH POLYSACCHARIDES

    OpenAIRE

    2008-01-01

    The use of ionic liquids (ILs) in the field of cellulose chemistry opens up a broad variety of new opportunities. Besides the regeneration of the biopolymer to fibers, films, and beads, this new class of cellulose solvents is particularly useful for the homogeneous chemical modification of the polysaccharide. In this review, the potential of ILs as a reaction medium for the homogeneous cellulose functionalization is discussed. It is shown that numerous conversions proceed very efficiently and...

  6. Extraction of proteins with ionic liquid aqueous two-phase system based on guanidine ionic liquid.

    Science.gov (United States)

    Zeng, Qun; Wang, Yuzhi; Li, Na; Huang, Xiu; Ding, Xueqin; Lin, Xiao; Huang, Songyun; Liu, Xiaojie

    2013-11-15

    Eight kinds of green ionic liquids were synthesized, and an ionic liquid aqueous two-phase system (ILATPS) based on 1,1,3,3-tetramethylguandine acrylate (TMGA) guanidine ionic liquid was first time studied for the extraction of proteins. Single factor experiments proved that the extraction efficiency of bovine serum albumin (BSA) was influenced by the mass of IL, K2HPO4 and BSA, also related to the separation time and temperature. The optimum conditions were determined through orthogonal experiment by the five factors described above. The results showed that under the optimum conditions, the extraction efficiency could reach up to 99.6243%. The relative standard deviations (RSD) of extraction efficiencies in precision experiment, repeatability experiment and stability experiment were 0.8156% (n=5), 1.6173% (n=5) and 1.6292% (n=5), respectively. UV-vis and FT-IR spectra confirmed that there were no chemical interactions between BSA and ionic liquid in the extraction process, and the conformation of the protein was not changed after extraction. The conductivity, DLS and TEM were combined to investigate the microstructure of the top phase and the possible mechanism for the extraction. The results showed that hydrophobic interaction, hydrogen bonding interaction and the salt out effect played important roles in the transferring process, and the aggregation and embrace phenomenon was the main driving force for the separation. All these results proved that guanidine ionic liquid-based ATPSs have the potential to offer new possibility in the extraction of proteins.

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

    Science.gov (United States)

    Raabe, Gabriele; Köhler, Jürgen

    2008-04-01

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

  8. Interaction of a long alkyl chain protic ionic liquid and water.

    Science.gov (United States)

    Bodo, Enrico; Mangialardo, Sara; Capitani, Francesco; Gontrani, Lorenzo; Leonelli, Francesca; Postorino, Paolo

    2014-05-28

    A combined experimental/theoretical approach has been used to investigate the role of water in modifying the microscopic interactions characterizing the optical response of 1-butyl-ammonium nitrate (BAN) water solutions. Raman spectra, dominated by the signal from the protic ionic liquid, were collected as a function of the water content, and the corresponding spatial organization of the ionic couples, as well as their local arrangement with water molecules, was studied exploiting classical molecular dynamics calculations. High quality spectroscopic data, combined with a careful analysis, revealed that water affects the vibrational spectrum BAN in solution: as the water concentration is increased, peaks assigned to stretching modes show a frequency hardening together with a shape narrowing, whereas the opposite behavior is observed for peaks assigned to bending modes. Calculation results clearly show a nanometric spatial organization of the ionic couples that is not destroyed on increasing the water content at least within an intermediate range. Our combined results show indeed that small water concentrations even increase the local order. Water molecules are located among ionic couples and are closer to the anion than the cation, as confirmed by the computation of the number of H-bonds which is greater for water-anion than for water-cation. The whole results set thus clarifies the microscopic scenario of the BAN-water interaction and underlines the main role of the extended hydrogen bond network among water molecules and nitrate anions.

  9. Canopy Dynamics in Nanoscale Ionic Materials

    KAUST Repository

    Jespersen, Michael L.

    2010-07-27

    Nanoscale ionic materials (NIMS) are organic - inorganic hybrids in which a core nanostructure is functionalized with a covalently attached corona and an ionically tethered organic canopy. NIMS are engineered to be liquids under ambient conditions in the absence of solvent and are of interest for a variety of applications. We have used nuclear magnetic resonance (NMR) relaxation and pulse-field gradient (PFG) diffusion experiments to measure the canopy dynamics of NIMS prepared from 18-nm silica cores modified by an alkylsilane monolayer possessing terminal sulfonic acid functionality, paired with an amine-terminated ethylene oxide/propylene oxide block copolymer canopy. Carbon NMR studies show that the block copolymer canopy is mobile both in the bulk and in the NIMS and that the fast (ns) dynamics are insensitive to the presence of the silica nanoparticles. Canopy diffusion in the NIMS is slowed relative to the neat canopy, but not to the degree predicted from the diffusion of hard-sphere particles. Canopy diffusion is not restricted to the surface of the nanoparticles and shows unexpected behavior upon addition of excess canopy. Taken together, these data indicate that the liquid-like behavior in NIMS is due to rapid exchange of the block copolymer canopy between the ionically modified nanoparticles. © 2010 American Chemical Society.

  10. Excluded volume and ion-ion correlation effects on the ionic atmosphere around B-DNA: Theory, simulations, and experiments

    Energy Technology Data Exchange (ETDEWEB)

    Ovanesyan, Zaven; Marucho, Marcelo, E-mail: marcelo.marucho@utsa.edu [Department of Physics and Astronomy, The University of Texas at San Antonio, San Antonio, Texas 78249-5003 (United States); Medasani, Bharat [Department of Physics and Astronomy, The University of Texas at San Antonio, San Antonio, Texas 78249-5003 (United States); Computational Research Division, Lawrence Berkeley National Lab, Berkeley, California 94700 (United States); Fenley, Marcia O. [Institute of Molecular Biophysics, Florida State University, Tallahassee, Florida 32306 (United States); Guerrero-García, Guillermo Iván [Instituto de Física, Universidad Autónoma de San Luis Potosí, Álvaro Obregón 64, 78000 San Luis Potosí, San Luis Potosí (Mexico); Department of Chemistry and Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States); Olvera de la Cruz, Mónica [Department of Chemistry and Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States)

    2014-12-14

    The ionic atmosphere around a nucleic acid regulates its stability in aqueous salt solutions. One major source of complexity in biological activities involving nucleic acids arises from the strong influence of the surrounding ions and water molecules on their structural and thermodynamic properties. Here, we implement a classical density functional theory for cylindrical polyelectrolytes embedded in aqueous electrolytes containing explicit (neutral hard sphere) water molecules at experimental solvent concentrations. Our approach allows us to include ion correlations as well as solvent and ion excluded volume effects for studying the structural and thermodynamic properties of highly charged cylindrical polyelectrolytes. Several models of size and charge asymmetric mixtures of aqueous electrolytes at physiological concentrations are studied. Our results are in good agreement with Monte Carlo simulations. Our numerical calculations display significant differences in the ion density profiles for the different aqueous electrolyte models studied. However, similar results regarding the excess number of ions adsorbed to the B-DNA molecule are predicted by our theoretical approach for different aqueous electrolyte models. These findings suggest that ion counting experimental data should not be used alone to validate the performance of aqueous DNA-electrolyte models.

  11. First-Principles United Atom Force Field for the Ionic Liquid BMIM(+)BF4(-): An Alternative to Charge Scaling.

    Science.gov (United States)

    Son, Chang Yun; McDaniel, Jesse G; Schmidt, J R; Cui, Qiang; Yethiraj, Arun

    2016-04-14

    Molecular dynamics study of ionic liquids (ILs) is a challenging task. While accurate fully polarizable atomistic models exist, they are computationally too demanding for routine use. Most nonpolarizable atomistic models predict diffusion constants that are much lower than experiment. Scaled charge atomistic models are cost-effective and give good results for single component ILs but are in qualitative error for the phase behavior of mixtures, due to inaccurate prediction of the IL cohesive energy. In this work, we present an alternative approach for developing computationally efficient models that importantly preserves both the correct dynamics and cohesive energy of the IL. Employing a "top-down" approach, a hierarchy of coarse-grained models for BMIM(+)BF4(-) are developed by systematically varying the polarization/atomic resolution of the distinct functional groups. Parametrization is based on symmetry-adapted perturbation theory (SAPT) calculations involving the homomolecular species; all cross interactions are obtained from mixing rules, and there are no adjustable parameters. We find that enhanced dynamics from a united-atom description counteracts the effect of reduced polarization, enabling computationally efficient models that exhibit quantitative agreement with experiment for both static and dynamic properties. We give explicit suggestions for reduced-description models that are computationally more efficient, more accurate, and more fundamentally sound than existing nonpolarizable atomistic models.

  12. Comparison between the Gauss' law method and the zero current method to calculate multi-species ionic diffusion in saturated uncharged porous materials

    DEFF Research Database (Denmark)

    Johannesson, Björn

    2010-01-01

    There exist, mainly, two different continuum approaches to calculate transient multi species ionic diffusion. One of them is based on explicitly assuming a zero current in the diffusing mixture together with an introduction of a streaming electrical potential in the constitutive equations...... are compared with existing results from the solutions of the Gauss’ law method. For the studied case the calculated concentrations of the ionic species, using the two different methods, differed very little....

  13. Cellulose/Gold Nanocrystal Hybrids via an Ionic Liquid/Aqueous Precipitation Route

    Directory of Open Access Journals (Sweden)

    Andreas Taubert

    2009-11-01

    Full Text Available Injection of a mixture of HAuCl4 and cellulose dissolved in the ionic liquid (IL 1-butyl-3-methylimidazolium chloride [Bmim]Cl into aqueous NaBH4 leads to colloidal gold nanoparticle/cellulose hybrid precipitates. This process is a model example for a very simple and generic approach towards (noble metal/cellulose hybrids, which could find applications in sensing, sterile filtration, or as biomaterials.

  14. Ionic conductance behavior of polymeric gel electrolyte containing ionic liquid mixed with magnesium salt

    Science.gov (United States)

    Morita, Masayuki; Shirai, Takahiro; Yoshimoto, Nobuko; Ishikawa, Masashi

    A new polymeric gel electrolyte system conducting magnesium ion has been proposed. The gel electrolytes consisted of poly(ethylene oxide)-modified polymethacrylate (PEO-PMA) dissolving ionic liquid mixed with magnesium salt, Mg[(CF 3SO 2) 2N] 2. The polymeric gel films were self-standing, transparent and flexible with enough mechanical strength. The ionic conductance and the electrochemical properties of the gel films were investigated. Thermal analysis results showed that the polymeric gel is homogeneous and amorphous over a wide temperature range. The highest conductivity, 1.1 × 10 -4 S cm -1 at room temperature (20 °C), was obtained for the polymeric gel containing 50 wt.% of the ionic liquid in which the content of the magnesium salt was 20 mol%. The dc polarization of a Pt/Mg cell using the polymeric gel electrolyte proved that the magnesium ion (Mg 2+) is mobile in the present polymeric system.

  15. Enzymatic hydrolysis of penicillin in mixed ionic liquids/water two-phase system.

    Science.gov (United States)

    Jiang, Yangyang; Xia, Hansong; Guo, Chen; Mahmood, Iram; Liu, Huizhou

    2007-01-01

    In this paper, an integrated process involving the mixed ionic liquids/water two-phase system (MILWS) is proposed to improve the efficiency for enzymatic hydrolysis of penicillin G. First, hydrophilic [C4mim]BF4 (1-butyl-3-methylimidazolium tetrafluoraborate) and NaH2PO4 salt form an ionic liquids aqueous two-phase system (ILATPS), which could extract penicillin from its fermentation broth efficiently. Second, a hydrophobic [C4mim]PF6 (1-butyl-3-methylimidazolium hexafluoraphosphate) is introduced into the ionic liquids-rich phase of ILATPS containing penicillin and converses it into MILWS. Penicillin is hydrolyzed by penicillin acylase in the water phase of MILWS at pH 5. The byproduct phenylacetic acid (PAA) is partitioned into the ionic liquids mixture phase, while the intended product 6-aminopenicillanic acid (6-APA) is precipitated at this pH. In comparison with a similar butyl acetate/water system (BAWS) at pH 4, MILWS exhibits two advantages. (1) The selectivity between PAA and penicillin is greatly optimized at pH 5 by varying the mole ratio of [C4mim]PF6/[C4mim]BF4 in MILWS, whereas in BAWS the unalterable nature of the organic solvent restricts the optimized pH for maximum selectivity between PAA and penicillin at pH 4. (2) The pH for 6-APA precipitation in BAWS is 4, whereas it shifts to pH 5 in MILWS due to the complexation between negatively charged 6-APA and the cationic surface of the ionic liquids micelle. As a result, the removal of the two products from the enzyme sphere at relatively high pH is permitted in MILWS, which is beneficial for enzymatic activity and stability in comparison with the acidic pH 4 environment in BAWS.

  16. Measurement and Correlation of the Ionic Conductivity of Ionic Liquid-Molecular Solvent Solutions

    Institute of Scientific and Technical Information of China (English)

    LI,Wen-Jing; HAN,Bu-Xing; TAO,Ran-Ting; ZHANG,Zhao-Fu; ZHANG,Jian-Ling

    2007-01-01

    The ionic conductivity of the solutions formed from 1-n-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) or 1-n-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) and different molecular solvents (MSs) were measured at 298.15 K. The molar conductivity of the ionic liquids (ILs) increased dramatically with increasing concentration of the MSs. It was found that the molar conductivity of the IL in the solutions studied in this work could be well correlated by the molar conductivity of the neat ILs and the dielectric constant and molar volume of the MSs.

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

    Science.gov (United States)

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

    2016-08-01

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

  18. Ionic site imaging in polymer membranes for water filtration applications

    Science.gov (United States)

    Rothe, Deborah Ruth

    The morphologies of ionic domains within poly(styrene-co-acrylic acid) (SAA) copolymers and sulfonated biphenyl sulfone (BPS) copolymers neutralized with Cu(II) were investigated using scanning transmission electron microscopy (STEM) and X-ray scattering. The ionic domain size for the SAA copolymers was independent of acid content while the BPS copolymers revealed an increase in ionic aggregate diameter with increasing sulfonate content. STEM imaging revealed large ionic groups in the higher sulfonate-containing polymer. It was the higher sulfonate material which had high water flux but poorer salt rejection properties. Additional analysis of the BPS copolymers with differential scanning calorimetry (DSC) did not show a detectable glass transition temperature (Tg), suggesting a distribution of ionic interactions which tethered polymer chains, restricting their mobility and governed thermal behavior. These results suggest the heterogeneous distribution of large ionic domains within the BPS polymer that may facilitate salt transport through the membrane via overlapping ion rich regions.

  19. Basicity of pyridine and some substituted pyridines in ionic liquids.

    Science.gov (United States)

    Angelini, Guido; De Maria, Paolo; Chiappe, Cinzia; Fontana, Antonella; Pierini, Marco; Siani, Gabriella

    2010-06-04

    The equilibrium constants for ion pair formation of some pyridines have been evaluated by spectrophotometric titration with trifluoroacetic acid in different ionic liquids. The basicity order is the same in ionic liquids and in water. The substituent effect on the equilibrium constant has been discussed in terms of the Hammett equation. Pyridine basicity appears to be less sensitive to the substituent effect in ionic liquids than in water.

  20. Phase Behavior of Mixtures of Ionic Liquids and Organic Solvents

    DEFF Research Database (Denmark)

    Abildskov, Jens; Ellegaard, Martin Dela; O’Connell, J.P.

    2010-01-01

    A corresponding-states form of the generalized van der Waals equation, previously developed for mixtures of an ionic liquid and a supercritical solute, is here extended to mixtures including an ionic liquid and a solvent (water or organic). Group contributions to characteristic parameters...... solvents. Here we show results for heavier and more-than-sparingly solutes such as carbon dioxide and propane in ionic liquids....

  1. Sequential Vapor Infiltration Treatment Enhances the Ionic Current Rectification Performance of Composite Membranes Based on Mesoporous Silica Confined in Anodic Alumina.

    Science.gov (United States)

    Liang, Yanyan; Liu, Zhengping

    2016-12-20

    Ionic current rectification of nanofluidic diode membranes has been studied widely in recent years because it is analogous to the functionality of biological ion channels in principle. We report a new method to fabricate ionic current rectification membranes based on mesoporous silica confined in anodic aluminum oxide (AAO) membranes. Two types of mesostructured silica nanocomposites, hexagonal structure and nanoparticle stacked structure, were used to asymmetrically fill nanochannels of AAO membranes by a vapor-phase synthesis (VPS) method with aspiration approach and were further modified via sequence vapor infiltration (SVI) treatment. The ionic current measurements indicated that SVI treatment can modulate the asymmetric ionic transport in prepared membranes, which exhibited clear ionic current rectification phenomenon under optimal conditions. The ionic current rectifying behavior is derived from the asymmetry of surface conformations, silica species components, and hydrophobic wettability, which are created by the asymmetrical filling type, silica depositions on the heterogeneous membranes, and the condensation of silanol groups. This article provides a considerable strategy to fabricate composite membranes with obvious ionic current rectification performance via the cooperation of the VPS method and SVI treatment and opens up the potential of mesoporous silica confined in AAO membranes to mimic fluid transport in biological processes.

  2. Ionic mechanisms underlying cardiac toxicity of the organochloride solvent trichloromethane.

    Science.gov (United States)

    Zhou, Yuan; Wu, Hui-Jun; Zhang, Yan-Hui; Sun, Hai-Ying; Wong, Tak-Ming; Li, Gui-Rong

    2011-12-18

    Trichloromethane (chloroform) is widely used for industrial chemical synthesis and also as an organic solvent in laboratories or ingredient of pesticides. Sudden death resulted from cardiac arrhythmias has been reported in clinic with acute trichloromethane intoxication. The present study was designed to investigate ionic mechanisms underlying arrhythmogenic effect (cardiac toxicity) of trichloromethane in isolated rat hearts and ventricular myocytes and HEK 293 cells stably expressing human Nav1.5, HCN2, or hERG channel using conventional electrophysiological approaches. It was found that trichloromethane (5mM) induced bradycardia and atrial-ventricular conduction blockade or ventricular fibrillation, and inhibited cardiac contractile function in isolated rat hearts. It shortened action potential duration (APD) in isolated rat ventricular myocytes, and increased the threshold current for triggering action potential, but had no effect on the inward rectifier K(+) current I(K1). However, trichloromethane significantly inhibited the L-type calcium current I(Ca.L) and the transient outward potassium current I(to) in a concentration-dependent manner (IC(50)s: 1.01 and 2.4mM, respectively). In HEK 293 cells stably expressing cardiac ion channel genes, trichloromethane reduced hNav1.5, HCN2, and hERG currents with IC(50)s of 8.2, 3.3, and 4.0mM, respectively. These results demonstrate for the first time that trichloromethane can induce bradycardia or ventricular fibrillation, and the arrhythmogenic effect of trichloromethane is related to the inhibition of multiple ionic currents including I(Ca.L), I(to), I(Na), HCN2, and hERG channels.

  3. Different roles of ionic liquids in lithium batteries

    Science.gov (United States)

    Eftekhari, Ali; Liu, Yang; Chen, Pu

    2016-12-01

    Ionic liquids are often named solvents of the future because of flexibility in design. This statement has given credence that ionic liquids should simply replace the problematic electrolytes of lithium batteries. As a result, the promising potentials of ionic liquids in electrochemical systems are somehow obscured by inappropriate expectations. We summarize recent advancements in this field, especially, ionic liquids as standalone electrolytes, additives, plasticizers in gel polymer electrolytes, and binders; and attempt to shed light on the future pathway of this area of research. Ionic liquids are not dilute media to serve as pure solvents in electrochemical systems where mobility of ions is the priority; instead, they can contribute to the ionic conductivity of various components in a battery system. Owing to the enormous possibilities of ionic liquids, it is not merely a matter of choice. Ionic liquids can be used to design novel types of electrolytes for a new generation of lithium batteries. A promising possibility, which is still at a very early stage, is supercooled ionic liquid crystals for fast ion diffusion through the guided channels of a liquid-like medium. This, of course, will be a breakthrough in the realm of electrochemistry, far beyond lithium battery field, when materialized.

  4. Improving Stability of Gasoline by Using Ionic Liquid Catalyst

    Institute of Scientific and Technical Information of China (English)

    Gao Zhirong; Liu Daosheng; Liao Kejian; Jian Heng

    2003-01-01

    The composition, characteristics and preparation of ionic liquids are presented. The factors influencing the stability of gasoline and the significance of improving gasoline stability are discussed. A novel way to improve the stability of gasoline by using ionic liquid catalyst is developed. The contents of olefin, basic nitrogen and sulfur in gasoline are determined and the optimal experimental conditions for improving gasoline stability are established.The ionic liquid catalyst, which is environmentally friendly, can reduce the olefin content in gasoline, and such process is noted for mild reaction conditions, simple operation, short reaction time, easy recycling of the ionic liquid catalyst and ready separation of products and catalyst.

  5. Lipid extraction from microalgae using a single ionic liquid

    Science.gov (United States)

    Salvo, Roberto Di; Reich, Alton; Dykes, Jr., H. Waite H.; Teixeira, Rodrigo

    2013-05-28

    A one-step process for the lysis of microalgae cell walls and separation of the cellular lipids for use in biofuel production by utilizing a hydrophilic ionic liquid, 1-butyl-3-methylimidazolium. The hydrophilic ionic liquid both lyses the microalgae cell walls and forms two immiscible layers, one of which consists of the lipid contents of the lysed cells. After mixture of the hydrophilic ionic liquid with a suspension of microalgae cells, gravity causes a hydrophobic lipid phase to move to a top phase where it is removed from the mixture and purified. The hydrophilic ionic liquid is recycled to lyse new microalgae suspensions.

  6. Quantum mechanical method for estimating ionicity of spinel ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Ji, D.H. [Hebei Advanced Thin Films Laboratory, Department of Physics, Hebei Normal University, Shijiazhuang City 050024 (China); Tang, G.D., E-mail: tanggd@mail.hebtu.edu.cn [Hebei Advanced Thin Films Laboratory, Department of Physics, Hebei Normal University, Shijiazhuang City 050024 (China); Li, Z.Z.; Hou, X.; Han, Q.J.; Qi, W.H.; Liu, S.R.; Bian, R.R. [Hebei Advanced Thin Films Laboratory, Department of Physics, Hebei Normal University, Shijiazhuang City 050024 (China)

    2013-01-15

    The ionicity (0.879) of cubic spinel ferrite Fe{sub 3}O{sub 4} has been determined, using both experimental magnetization and density of state calculations from the density functional theory. Furthermore, a quantum mechanical estimation method for the ionicity of spinel ferrites is proposed by comparing the results from Phillips' ionicity. On the basis of this, ionicities of the spinel ferrites MFe{sub 2}O{sub 4} (M=Mn, Fe, Co, Ni, Cu) are calculated. As an application, the ion distribution at (A) and [B] sites of (A)[B]{sub 2}O{sub 4} spinel ferrites MFe{sub 2}O{sub 4} (M=Fe, Co, Ni, Cu) are calculated using current ionicity values. - Highlights: Black-Right-Pointing-Pointer The ionicity of Fe{sub 3}O{sub 4} was determined as 0.879 by the density functional theory. Black-Right-Pointing-Pointer The ionicities of spinel ferrites were estimated by a quantum mechanical method. Black-Right-Pointing-Pointer A quantum mechanical method estimating ionicity is suitable for II-VI compounds. Black-Right-Pointing-Pointer The ion distributions of MFe{sub 2}O{sub 4} are calculated by current ionicities values.

  7. Aprotic Heterocyclic Anion Triazolide Ionic Liquids - A New Class of Ionic Liquid Anion Accessed by the Huisgen Cycloaddition Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Robert L; Damodaran, Krishnan; Luebke, David; Nulwala, Hunaid

    2013-06-01

    The triazole core is a highly versatile heterocyclic ring which can be accessed easily with the Cu(I)-catalyzed Huisgen cycloaddition reaction. Herein we present the preparation of ionic liquids that incorporate a 1,2,3-triazolide anion. These ionic liquids were prepared by a facile procedure utilizing a base-labile pivaloylmethyl group at the 1-position, which can act as precursors to 1H- 4-substituted 1,2,3-triazole. These triazoles were then subsequently converted into ionic liquids after deprotonation using an appropriate ionic liquid cation hydroxide. The densities and thermal decompositions of these ionic liquids were measured. These novel ionic liquids have potential applications in gas separations and in metal-free catalysis.

  8. Irradiation of ionic liquid ion beams on silicon and glass substrates

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Mitsuaki, E-mail: m-takeuchi@kuee.kyoto-u.ac.jp; Hamaguchi, Takuya; Ryuto, Hiromichi; Takaoka, Gikan H.

    2013-11-15

    Irradiation of an ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF{sub 6}) ion beam on borosilicate glass and single crystalline Si(100) surface was demonstrated by using an ionic liquid ion source we developed. Surface smoothing on the glass substrates was produced by the irradiations at an acceleration voltage of 4 kV with both positive and negative ion beams, which include cation–anion pairs attached to a single ion of either polarity. Water contact angle measurements and X-ray photoelectron spectroscopy indicated that the surface smoothing was probably caused by surface modification involving nano-ordered chemical etching by Si–F reaction, implantation and deposition of P, N and C.

  9. Nuclear microanalysis of the human amnion: A study of ionic cellular exchanges

    Science.gov (United States)

    Razafindrabe, L.; Moretto, Ph.; Llabador, Y.; Simonoff, M.; Bara, M.; Guiet-Bara, A.

    1995-09-01

    The epithelial cells of the human amniotic membrane have been extensively studied by electrophysiologists with the aim of elucidating the mechanisms of transmembrane ionic transfers. In order to provide complementary information about this model, nuclear microanalysis was performed using the CENBG ion microbeam. Quantitative mapping of the human amnion was carried out and the distributions of most mono- and divalent ions involved in cellular pathways (Na +, Mg 2+, Cl -, Ca 2+) were determined. The ionic cellular content was also compared, before and after incubation in a Hanks' physiological fluid and the resultant ions transfers were determined. The aim of this paper is to expose the advances of this experimental model, more particularly after the development of simulation programs which improved the accuracy of PIXE analysis in the measurement of low energy X-rays emitters. Statistically significant results can now be extracted and can be explained taking into account the results of previous electrophysiological experiments.

  10. Phase behaviour and dynamics in primitive models of molecular ionic liquids

    Directory of Open Access Journals (Sweden)

    G.C. Ganzenmüller

    2011-09-01

    Full Text Available The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and cation-shape anisotropy, which are all prominent features of important materials such as room-temperature ionic liquids. The vapour-liquid phase diagrams are determined using high-precision Monte Carlo simulations, setting the scene for in-depth studies of ion dynamics in the liquid state. Molecular dynamics simulations are used to explore the structure, single-particle translational and rotational autocorrelation functions, cation orientational autocorrelations, self diffusion, viscosity, and frequency-dependent conductivity. The results reveal some of the molecular-scale mechanisms for charge transport, involving molecular translation, rotation, and association.

  11. Predictive thermodynamics for ionic solids and liquids.

    Science.gov (United States)

    Glasser, Leslie; Jenkins, H Donald Brooke

    2016-08-21

    The application of thermodynamics is simple, even if the theory may appear intimidating. We describe tools, developed over recent years, which make it easy to estimate often elusive thermodynamic parameter values, generally (but not exclusively) for ionic materials, both solid and liquid, as well as for their solid hydrates and solvates. The tools are termed volume-based thermodynamics (VBT) and thermodynamic difference rules (TDR), supplemented by the simple salt approximation (SSA) and single-ion values for volume, Vm, heat capacity, , entropy, , formation enthalpy, ΔfH°, and Gibbs formation energy, ΔfG°. These tools can be applied to provide values of thermodynamic and thermomechanical properties such as standard enthalpy of formation, ΔfH°, standard entropy, , heat capacity, Cp, Gibbs function of formation, ΔfG°, lattice potential energy, UPOT, isothermal expansion coefficient, α, and isothermal compressibility, β, and used to suggest the thermodynamic feasibility of reactions among condensed ionic phases. Because many of these methods yield results largely independent of crystal structure, they have been successfully extended to the important and developing class of ionic liquids as well as to new and hypothesised materials. Finally, these predictive methods are illustrated by application to K2SnCl6, for which known experimental results are available for comparison. A selection of applications of VBT and TDR is presented which have enabled input, usually in the form of thermodynamics, to be brought to bear on a range of topical problems. Perhaps the most significant advantage of VBT and TDR methods is their inherent simplicity in that they do not require a high level of computational expertise nor expensive high-performance computation tools - a spreadsheet will usually suffice - yet the techniques are extremely powerful and accessible to non-experts. The connection between formula unit volume, Vm, and standard thermodynamic parameters represents a

  12. Notre Dame Geothermal Ionic Liquids Research: Ionic Liquids for Utilization of Geothermal Energy

    Energy Technology Data Exchange (ETDEWEB)

    Brennecke, Joan F. [Univ. of Notre Dame, IN (United States)

    2017-03-07

    The goal of this project was to develop ionic liquids for two geothermal energy related applications. The first goal was to design ionic liquids as high temperature heat transfer fluids. We identified appropriate compounds based on both experiments and molecular simulations. We synthesized the new ILs, and measured their thermal stability, measured storage density, viscosity, and thermal conductivity. We found that the most promising compounds for this application are aminopyridinium bis(trifluoromethylsulfonyl)imide based ILs. We also performed some measurements of thermal stability of IL mixtures and used molecular simulations to better understand the thermal conductivity of nanofluids (i.e., mixtures of ILs and nanoparticles). We found that the mixtures do not follow ideal mixture theories and that the addition of nanoparticles to ILs may well have a beneficial influence on the thermal and transport properties of IL-based heat transfer fluids. The second goal was to use ionic liquids in geothermally driven absorption refrigeration systems. We performed copious thermodynamic measurements and modeling of ionic liquid/water systems, including modeling of the absorption refrigeration systems and the resulting coefficients of performance. We explored some IL/organic solvent mixtures as candidates for this application, both with experimentation and molecular simulations. We found that the COPs of all of the IL/water systems were higher than the conventional system – LiBr/H2O. Thus, IL/water systems appear very attractive for absorption refrigeration applications.

  13. Direct reduction of carbon dioxide to formate in high-gas-capacity ionic liquids at post-transition-metal electrodes.

    Science.gov (United States)

    Watkins, John D; Bocarsly, Andrew B

    2014-01-01

    As an approach to combat the increasing emissions of carbon dioxide in the last 50 years, the sequestration of carbon dioxide gas in ionic liquids has become an attractive research area. Ionic liquids can be made that possess incredibly high molar absorption and specificity characteristics for carbon dioxide. Their high carbon dioxide solubility and specificity combined with their high inherent electrical conductivity also creates an ideal medium for the electrochemical reduction of carbon dioxide. Herein, a lesser studied ionic liquid, 1-ethyl-3-methylimidazolium trifluoroacetate, was used as both an effective carbon dioxide capture material and subsequently as an electrochemical matrix with water for the direct reduction of carbon dioxide into formate at indium, tin, and lead electrodes in good yield (ca. 3 mg h(-1) cm(-2)).

  14. Ultrasound-assisted extraction of carnosic acid and rosmarinic acid using ionic liquid solution from Rosmarinus officinalis.

    Science.gov (United States)

    Zu, Ge; Zhang, Rongrui; Yang, Lei; Ma, Chunhui; Zu, Yuangang; Wang, Wenjie; Zhao, Chunjian

    2012-01-01

    Ionic liquid based, ultrasound-assisted extraction was successfully applied to the extraction of phenolcarboxylic acids, carnosic acid and rosmarinic acid, from Rosmarinus officinalis. Eight ionic liquids, with different cations and anions, were investigated in this work and [C(8)mim]Br was selected as the optimal solvent. Ultrasound extraction parameters, including soaking time, solid-liquid ratio, ultrasound power and time, and the number of extraction cycles, were discussed by single factor experiments and the main influence factors were optimized by response surface methodology. The proposed approach was demonstrated as having higher efficiency, shorter extraction time and as a new alternative for the extraction of carnosic acid and rosmarinic acid from R. officinalis compared with traditional reference extraction methods. Ionic liquids are considered to be green solvents, in the ultrasound-assisted extraction of key chemicals from medicinal plants, and show great potential.

  15. INTERACTION OF IONIC LIQUIDS WITH POLYSACCHARIDES

    Directory of Open Access Journals (Sweden)

    Tim Liebert

    2008-05-01

    Full Text Available The use of ionic liquids (ILs in the field of cellulose chemistry opens up a broad variety of new opportunities. Besides the regeneration of the biopolymer to fibers, films, and beads, this new class of cellulose solvents is particularly useful for the homogeneous chemical modification of the polysaccharide. In this review, the potential of ILs as a reaction medium for the homogeneous cellulose functionalization is discussed. It is shown that numerous conversions proceed very efficiently and the ILs may be recycled. But it is also demonstrated that some side reactions have to be considered.

  16. Mechanistic aspects of ionic reactions in flames

    DEFF Research Database (Denmark)

    Egsgaard, H.; Carlsen, L.

    1993-01-01

    Some fundamentals of the ion chemistry of flames are summarized. Mechanistic aspects of ionic reactions in flames have been studied using a VG PlasmaQuad, the ICP-system being substituted by a simple quartz burner. Simple hydrocarbon flames as well as sulfur-containing flames have been investigated....... The simple hydrocarbon flames are dominated by a series of hydrocarbonic ions and, to a minor extent, protonated oxo-compounds. The introduction of sulfur to the flames leads to significant changes in the ion composition, as sulfur-containing species become dominant. The ability of the technique to study...

  17. Nonextensive statistical mechanics of ionic solutions

    Energy Technology Data Exchange (ETDEWEB)

    Varela, L.M. [Grupo de Nanomateriales y Materia Blanda, Departamento de Fisica de la Materia Condensada, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela (Spain)], E-mail: fmluis@usc.es; Carrete, J. [Grupo de Nanomateriales y Materia Blanda, Departamento de Fisica de la Materia Condensada, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela (Spain); Munoz-Sola, R. [Departamento de Matematica Aplicada, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela (Spain); Rodriguez, J.R.; Gallego, J. [Grupo de Nanomateriales y Materia Blanda, Departamento de Fisica de la Materia Condensada, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela (Spain)

    2007-10-29

    Classical mean-field Poisson-Boltzmann theory of ionic solutions is revisited in the theoretical framework of nonextensive Tsallis statistics. The nonextensive equivalent of Poisson-Boltzmann equation is formulated revisiting the statistical mechanics of liquids and the Debye-Hueckel framework is shown to be valid for highly diluted solutions even under circumstances where nonextensive thermostatistics must be applied. The lowest order corrections associated to nonadditive effects are identified for both symmetric and asymmetric electrolytes and the behavior of the average electrostatic potential in a homogeneous system is analytically and numerically analyzed for various values of the complexity measurement nonextensive parameter q.

  18. Design of Separation Processes with Ionic Liquids

    DEFF Research Database (Denmark)

    2015-01-01

    A systematic methodology for screening and designing of Ionic Liquid (IL)-based separation processes is proposed and demonstrated using several case studies of both aqueous and non-aqueous systems, for instance, ethanol + water, ethanol + hexane, benzene + hexane, and toluene + methylcyclohexane....... The best four ILs of each mixture are [mmim][dmp], [emim][bti], [emim][etso4] and [hmim][tcb], respectively. All of them were used as entrainers in the extractive distillation. A process simulation of each system was carried out and showed a lower both energy requirement and solvent usage as compared...

  19. Polar interface phonons in ionic toroidal systems.

    Science.gov (United States)

    Nguyen, N D; Evrard, R; Stroscio, Michael A

    2016-09-01

    We use the dielectric continuum model to obtain the polar (Fuchs-Kliewer like) interface vibration modes of toroids made of ionic materials either embedded in a different material or in vacuum, with applications to nanotoroids specially in mind. We report the frequencies of these modes and describe the electric potential they produce. We establish the quantum-mechanical Hamiltonian appropriate for their interaction with electric charges. This Hamiltonian can be used to describe the effect of this interaction on different types of charged particles either inside or outside the torus.

  20. ZnO-ionic liquid nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Sanes, Jose; Carrion, Francisco-Jose [Grupo de Ciencia de Materiales e Ingenieria Metalurgica, Departamento de Ingenieria de Materiales y Fabricacion, Universidad Politecnica de Cartagena, Campus de la Muralla del Mar, C/ Doctor Fleming s/n, 30202 Cartagena (Spain); Bermudez, Maria-Dolores, E-mail: mdolores.bermudez@upct.es [Grupo de Ciencia de Materiales e Ingenieria Metalurgica, Departamento de Ingenieria de Materiales y Fabricacion, Universidad Politecnica de Cartagena, Campus de la Muralla del Mar, C/ Doctor Fleming s/n, 30202 Cartagena (Spain)

    2009-02-15

    The mixture of nanostructures derived from the surface interactions and reactivity of ZnO nanoparticles with the room-temperature ionic liquid (IL1) 1-hexyl, 3-methylimidazolium hexafluorophosphate has been studied. Results are discussed on the basis of transmission electron microscopy (TEM) observations, energy dispersive spectroscopy (EDS) analysis, X-ray diffraction (XRD) patterns and X-ray photoelectron spectroscopy (XPS) determinations. Size and morphology changes in ZnO nanoparticles by surface modification with IL1 are observed. ZnF{sub 2} crystalline needles due to reaction with the hexafluorophosphate anion are also formed.

  1. Structure and ionic conductivity of ionic liquid embedded PEO- LiCF3SO3 polymer electrolyte

    Directory of Open Access Journals (Sweden)

    A. Karmakar

    2014-08-01

    Full Text Available In this paper we have reported electrical and other physical properties of polyethylene oxide (PEO - LiCF3SO3 polymer electrolytes embedded with 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid. The addition of the ionic liquid to PEO- LiCF3SO3 electrolyte increases the amorphous phase content considerably and decreases the glass transition temperature. The relative amounts of different ionic species present in these electrolytes have been determined. It is observed that the fraction of free anions increase with the increase of ionic liquid concentration, whereas the fraction for ion pairs and aggregates show a decreasing trend under the same condition. The ionic conductivity of the PEO- LiCF3SO3 polymer electrolyte embedded with ionic liquid is higher than that of the PEO- LiCF3SO3 electrolyte. The ionic conductivity shows a transition around 323 K. The ionic conductivity above 323 K exhibits Arrhenius behavior with an activation energy, which decreases with the increase of ionic liquid concentration. However, below 323 K the conductivity shows Vogel–Tamman–Fulcher (VTF type behavior.

  2. Direct measurements of ionic liquid layering at a single mica-liquid interface and in nano-films between two mica-liquid interfaces.

    Science.gov (United States)

    Griffin, Lucy R; Browning, Kathryn L; Clarke, Stuart M; Smith, Alexander M; Perkin, Susan; Skoda, M W A; Norman, Sarah E

    2016-12-21

    The layering of ionic liquids close to flat, charged interfaces has been identified previously through theoretical and some experimental measurements. Here we present evidence for oscillations in ion density ('layering') in a long chain ionic liquid (1-decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide) near the interface with mica using two complementary approaches. Neutron reflection at the ionic liquid-mica interface is used to detect structure at a single interface, and surface force balance (SFB) measurements carried out with the same ionic liquid reveal oscillatory density in the liquid confined between two mica sheets. Our findings imply the interfacial structure is not induced by confinement alone. Structural forces between two mica surfaces extend to approximately twice the distance of the density oscillations measured at a single interface and have similar period in both cases.

  3. Capacitive mixing power production from salinity gradient energy enhanced through exoelectrogen-generated ionic currents

    KAUST Repository

    Hatzell, Marta C.

    2014-01-01

    Several approaches to generate electrical power directly from salinity gradient energy using capacitive electrodes have recently been developed, but power densities have remained low. By immersing the capacitive electrodes in ionic fields generated by exoelectrogenic microorganisms in bioelectrochemical reactors, we found that energy capture using synthetic river and seawater could be increased ∼65 times, and power generation ∼46 times. Favorable electrochemical reactions due to microbial oxidation of organic matter, coupled to oxygen reduction at the cathode, created an ionic flow field that enabled more effective passive charging of the capacitive electrodes and higher energy capture. This ionic-based approach is not limited to the use of river water-seawater solutions. It can also be applied in industrial settings, as demonstrated using thermolytic solutions that can be used to capture waste heat energy as salinity gradient energy. Forced charging of the capacitive electrodes, using energy generated by the bioelectrochemical system and a thermolytic solution, further increased the maximum power density to 7 W m -2 (capacitive electrode). © 2014 The Royal Society of Chemistry.

  4. Ionic liquids based simultaneous ultrasonic and microwave assisted extraction of phenolic compounds from burdock leaves

    Energy Technology Data Exchange (ETDEWEB)

    Lou Zaixiang, E-mail: louzaixiang@126.com [State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, Wuxi 214122 (China); Wang Hongxin, E-mail: whx200720082009@yahoo.cn [State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, Wuxi 214122 (China); Zhu Song; Chen Shangwei; Zhang Ming; Wang Zhouping [State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, Wuxi 214122 (China)

    2012-02-24

    The ionic liquids based simultaneous ultrasonic and microwave assisted extraction (IL-UMAE) technique was first proposed and applied to isolate compounds. The ionic liquids comprising a range of four anions, five 1-alkyl-3-methylimidazolium derivatives were designed and prepared. The results suggested that varying the anion and cation both had apparent effects on the extraction of phenolics. The results also showed that irradiation power, time and solid-liquid ratio significantly affected the yields. The yields of caffeic acid and quercetin obtained by IL-UMAE were higher than those by regular UMAE. Compared with conventional heat-reflux extraction (HRE), the proposed approach exhibited higher efficiency (8-17% enhanced) and shorter extraction time (from 5 h to 30 s). The results indicated ILUMAE to be a fast and efficient extraction technique. Moreover, the proposed method was validated by the reproducibility and recovery experiments. The ILUMAE method provided good recoveries (from 96.1% to 105.3%) with RSD lower than 5.2%, which indicated that the proposed method was credible. Based on the designable nature of ionic liquids, and the rapid and highly efficient performance of the proposed approach, ILUMAE provided a new alternative for preparation of various useful substances from solid samples.

  5. Ionic liquids based simultaneous ultrasonic and microwave assisted extraction of phenolic compounds from burdock leaves.

    Science.gov (United States)

    Lou, Zaixiang; Wang, Hongxin; Zhu, Song; Chen, Shangwei; Zhang, Ming; Wang, Zhouping

    2012-02-24

    The ionic liquids based simultaneous ultrasonic and microwave assisted extraction (IL-UMAE) technique was first proposed and applied to isolate compounds. The ionic liquids comprising a range of four anions, five 1-alkyl-3-methylimidazolium derivatives were designed and prepared. The results suggested that varying the anion and cation both had apparent effects on the extraction of phenolics. The results also showed that irradiation power, time and solid-liquid ratio significantly affected the yields. The yields of caffeic acid and quercetin obtained by IL-UMAE were higher than those by regular UMAE. Compared with conventional heat-reflux extraction (HRE), the proposed approach exhibited higher efficiency (8-17% enhanced) and shorter extraction time (from 5h to 30s). The results indicated ILUMAE to be a fast and efficient extraction technique. Moreover, the proposed method was validated by the reproducibility and recovery experiments. The ILUMAE method provided good recoveries (from 96.1% to 105.3%) with RSD lower than 5.2%, which indicated that the proposed method was credible. Based on the designable nature of ionic liquids, and the rapid and highly efficient performance of the proposed approach, ILUMAE provided a new alternative for preparation of various useful substances from solid samples.

  6. Synthesis of three advanced biofuels from ionic liquid-pretreated switchgrass using engineered Escherichia coli.

    Science.gov (United States)

    Bokinsky, Gregory; Peralta-Yahya, Pamela P; George, Anthe; Holmes, Bradley M; Steen, Eric J; Dietrich, Jeffrey; Lee, Taek Soon; Tullman-Ercek, Danielle; Voigt, Christopher A; Simmons, Blake A; Keasling, Jay D

    2011-12-13

    One approach to reducing the costs of advanced biofuel production from cellulosic biomass is to engineer a single microorganism to both digest plant biomass and produce hydrocarbons that have the properties of petrochemical fuels. Such an organism would require pathways for hydrocarbon production and the capacity to secrete sufficient enzymes to efficiently hydrolyze cellulose and hemicellulose. To demonstrate how one might engineer and coordinate all of the necessary components for a biomass-degrading, hydrocarbon-producing microorganism, we engineered a microorganism naïve to both processes, Escherichia coli, to grow using both the cellulose and hemicellulose fractions of several types of plant biomass pretreated with ionic liquids. Our engineered strains express cellulase, xylanase, beta-glucosidase, and xylobiosidase enzymes under control of native E. coli promoters selected to optimize growth on model cellulosic and hemicellulosic substrates. Furthermore, our strains grow using either the cellulose or hemicellulose components of ionic liquid-pretreated biomass or on both components when combined as a coculture. Both cellulolytic and hemicellulolytic strains were further engineered with three biofuel synthesis pathways to demonstrate the production of fuel substitutes or precursors suitable for gasoline, diesel, and jet engines directly from ionic liquid-treated switchgrass without externally supplied hydrolase enzymes. This demonstration represents a major advance toward realizing a consolidated bioprocess. With improvements in both biofuel synthesis pathways and biomass digestion capabilities, our approach could provide an economical route to production of advanced biofuels.

  7. Ionic diffusion through confined geometries: from Langevin equations to partial differential equations

    Energy Technology Data Exchange (ETDEWEB)

    Nadler, Boaz [Department of Mathematics, Yale University, New-Haven, CT 06520 (United States); Schuss, Zeev [Department of Applied Mathematics, Tel-Aviv University, Ramat-Aviv 69978, Tel-Aviv (Israel); Singer, Amit [Department of Applied Mathematics, Tel-Aviv University, Ramat-Aviv 69978, Tel-Aviv (Israel); Eisenberg, R S [Department of Molecular Biophysics and Physiology, Rush Medical Center, 1750 Harrison Street, Chicago, IL 60612 (United States)

    2004-06-09

    Ionic diffusion through and near small domains is of considerable importance in molecular biophysics in applications such as permeation through protein channels and diffusion near the charged active sites of macromolecules. The motion of the ions in these settings depends on the specific nanoscale geometry and charge distribution in and near the domain, so standard continuum type approaches have obvious limitations. The standard machinery of equilibrium statistical mechanics includes microscopic details, but is also not applicable, because these systems are usually not in equilibrium due to concentration gradients and to the presence of an external applied potential, which drive a non-vanishing stationary current through the system. We present a stochastic molecular model for the diffusive motion of interacting particles in an external field of force and a derivation of effective partial differential equations and their boundary conditions that describe the stationary non-equilibrium system. The interactions can include electrostatic, Lennard-Jones and other pairwise forces. The analysis yields a new type of Poisson-Nernst-Planck equations, that involves conditional and unconditional charge densities and potentials. The conditional charge densities are the non-equilibrium analogues of the well studied pair correlation functions of equilibrium statistical physics. Our proposed theory is an extension of equilibrium statistical mechanics of simple fluids to stationary non-equilibrium problems. The proposed system of equations differs from the standard Poisson-Nernst-Planck system in two important aspects. First, the force term depends on conditional densities and thus on the finite size of ions, and second, it contains the dielectric boundary force on a discrete ion near dielectric interfaces. Recently, various authors have shown that both of these terms are important for diffusion through confined geometries in the context of ion channels.

  8. Contact angles and wettability of ionic liquids on polar and non-polar surfaces.

    Science.gov (United States)

    Pereira, Matheus M; Kurnia, Kiki A; Sousa, Filipa L; Silva, Nuno J O; Lopes-da-Silva, José A; Coutinho, João A P; Freire, Mara G

    2015-12-21

    Many applications involving ionic liquids (ILs) require the knowledge of their interfacial behaviour, such as wettability and adhesion. In this context, herein, two approaches were combined aiming at understanding the impact of the IL chemical structures on their wettability on both polar and non-polar surfaces, namely: (i) the experimental determination of the contact angles of a broad range of ILs (covering a wide number of anions of variable polarity, cations, and cation alkyl side chain lengths) on polar and non-polar solid substrates (glass, Al-plate, and poly-(tetrafluoroethylene) (PTFE)); and (ii) the correlation of the experimental contact angles with the cation-anion pair interaction energies generated by the Conductor-like Screening Model for Real Solvents (COSMO-RS). The combined results reveal that the hydrogen-bond basicity of ILs, and thus the IL anion, plays a major role through their wettability on both polar and non-polar surfaces. The increase of the IL hydrogen-bond accepting ability leads to an improved wettability of more polar surfaces (lower contact angles) while the opposite trend is observed on non-polar surfaces. The cation nature and alkyl side chain lengths have however a smaller impact on the wetting ability of ILs. Linear correlations were found between the experimental contact angles and the cation-anion hydrogen-bonding and cation ring energies, estimated using COSMO-RS, suggesting that these features primarily control the wetting ability of ILs. Furthermore, two-descriptor correlations are proposed here to predict the contact angles of a wide variety of ILs on glass, Al-plate, and PTFE surfaces. A new extended list is provided for the contact angles of ILs on three surfaces, which can be used as a priori information to choose appropriate ILs before a given application.

  9. Contact angles and wettability of ionic liquids on polar and non-polar surfaces†

    Science.gov (United States)

    Sousa, Filipa L.; Silva, Nuno J. O.; Lopes-da-Silva, José A.; Coutinho, João A. P.; Freire, Mara G.

    2016-01-01

    Many applications involving ionic liquids (ILs) require the knowledge of their interfacial behaviour, such as wettability and adhesion. In this context, herein, two approaches were combined aiming at understanding the impact of the IL chemical structures on their wettability on both polar and non-polar surfaces, namely: (i) the experimental determination of the contact angles of a broad range of ILs (covering a wide number of anions of variable polarity, cations, and cation alkyl side chain lengths) on polar and non-polar solid substrates (glass, Al-plate, and poly-(tetrafluoroethylene) (PTFE)); and (ii) the correlation of the experimental contact angles with the cation–anion pair interaction energies generated by the Conductor-like Screening Model for Real Solvents (COSMO-RS). The combined results reveal that the hydrogen-bond basicity of ILs, and thus the IL anion, plays a major role through their wettability on both polar and non-polar surfaces. The increase of the IL hydrogen-bond accepting ability leads to an improved wettability of more polar surfaces (lower contact angles) while the opposite trend is observed on non-polar surfaces. The cation nature and alkyl side chain lengths have however a smaller impact on the wetting ability of ILs. Linear correlations were found between the experimental contact angles and the cation–anion hydrogen-bonding and cation ring energies, estimated using COSMO-RS, suggesting that these features primarily control the wetting ability of ILs. Furthermore, two-descriptor correlations are proposed here to predict the contact angles of a wide variety of ILs on glass, Al-plate, and PTFE surfaces. A new extended list is provided for the contact angles of ILs on three surfaces, which can be used as a priori information to choose appropriate ILs before a given application. PMID:26554705

  10. On nanopore DNA sequencing by signal and noise analysis of ionic current

    Science.gov (United States)

    Wen, Chenyu; Zeng, Shuangshuang; Zhang, Zhen; Hjort, Klas; Scheicher, Ralph; Zhang, Shi-Li

    2016-05-01

    DNA sequencing, i.e., the process of determining the succession of nucleotides on a DNA strand, has become a standard aid in biomedical research and is expected to revolutionize medicine. With the capability of handling single DNA molecules, nanopore technology holds high promises to become speedier in sequencing at lower cost than what are achievable with the commercially available optics- or semiconductor-based massively parallelized technologies. Despite tremendous progress made with biological and solid-state nanopores, high error rates and large uncertainties persist with the sequencing results. Here, we employ a nano-disk model to quantitatively analyze the sequencing process by examining the variations of ionic current when a DNA strand translocates a nanopore. Our focus is placed on signal-boosting and noise-suppressing strategies in order to attain the single-nucleotide resolution. Apart from decreasing pore diameter and thickness, it is crucial to also reduce the translocation speed and facilitate a stepwise translocation. Our best-case scenario analysis points to severe challenges with employing plain nanopore technology, i.e., without recourse to any signal amplification strategy, in achieving sequencing with the desired single-nucleotide resolution. A conceptual approach based on strand synthesis in the nanopore of the translocating DNA from single-stranded to double-stranded is shown to yield a 10-fold signal amplification. Although it involves no advanced physics and is very simple in mathematics, this simple model captures the essence of nanopore sequencing and is useful in guiding the design and operation of nanopore sequencing.

  11. Preparation of Ionic Liquid-based Vilsmier Reagent from Novel Multi-purpose Dimethyl Formamide-like Ionic Liquid and Its Application

    Institute of Scientific and Technical Information of China (English)

    Hullio, Ahmed Ali; Mastoi, G. M.

    2012-01-01

    In continuation of research to explore the applied potential of DMF-like ionic liquid, the ionic liquid version of N,N-dimethyliminiumchloride (Vilsmier reagent) has been synthesized from DMF-like ionic liquid and tested effectively for its capacity to achieve more useful organic transformations. The results show that DMF-like ionic liquid is world's first task specific ionic liquid which has catalyzed numerous diverse type of reaction and is multipurpose in its application. Thus a new term for this DMF-like ionic liquid has been coined that is DMF-like "multipurpose" ionic liquid.

  12. ALTERNATIVE EQUATIONS FOR DYNAMIC BEHAVIOR OF IONIC CHANNEL ACTIVATION AND INACTIVATION GATES

    Directory of Open Access Journals (Sweden)

    Mahmut ÖZER

    2003-03-01

    Full Text Available In this paper, alternative equations for dynamics of ionic channel activation and inactivation gates are proposed based on the path probability method. Dynamic behavior of a voltage-gated ionic channel is modeled by the conventional Hodgkin-Huxley (H-H mathematical formalism. In that model, conductance of the channel is defined in terms of activation and inactivation gates. Dynamics of the activation and inactivation gates is modeled by first-order differential equations dependent on the gate variable and the membrane potential. In the new approach proposed in this study, dynamic behavior of activation and inactivation gates is modeled by a firstorder differential equation dependent on internal energy and membrane potential by using the path probability method which is widely used in statistical physics. The new model doesn't require the time constant and steadystate values which are used explicitly in the H-H model. The numerical results show validity of the proposed method.

  13. Nanoscale Carbon Greatly Enhances Mobility of a Highly Viscous Ionic Liquid

    DEFF Research Database (Denmark)

    Chaban, V. V.; Prezhdo, O. V.

    2014-01-01

    liquids (ILs) and apolar carbon nanotubes (CNTs) are disparate objects; nevertheless, their interaction leads to spontaneous CNT filling with ILs. Moreover, ionic diffusion of highly viscous ILs can increase 5-fold inside CNTs, approaching that of molecular liquids, even though the confined IL phase still...... phenomena. Governed by internal energy and entropy rather than external work, the kinetics of CNT filling is characterized in detail The significant growth of the IL mobility induced by nanoscale carbon promises important advances in electricity storage devices.......The ability to encapsulate molecules is one of the outstanding features of nanotubes. The encapsulation alters physical and chemical properties of both nanotubes and guest species. The latter normally form a separate phase, exhibiting drastically different behavior compared to the bulk. Ionic...

  14. Controlled Formation and Vibrational Characterization of Large Solvated Ionic Clusters in Cryogenic Ion Traps

    Science.gov (United States)

    Garand, Etienne; Marsh, Brett; Voss, Jonathan; Duffy, Erin M.

    2016-06-01

    An experimental approach for the formation of solvated ionic clusters and their vibrational spectroscopy will be presented. This recently developed apparatus combines an electrospray ionization source, two temperature controlled cryogenic ion traps and a time-of-flight infrared photofragmentation spectrometer, to allow for a universal and controlled formation and characterization of solvent clusters around ionic core as well as product of ion-molecule reaction. Recent results on the spectroscopy of such solvated ions, will be presented and discussed. In particular, this talk will present the structural evolution of glycylglycine as a function of stepwise solvation, and show how the presence of just a few water can modify the geometry of this model peptide. I will also present results solvation of ion that do not form hydrogen bond or strongly interactions with the solvent.

  15. Anti-microbial Activities of Protic Ionic Liquids Studied with Microcalorimetry Method

    Institute of Scientific and Technical Information of China (English)

    DING Yang-jun; NIE Yi; YU You

    2011-01-01

    The anti-microbial activities of seven protic ionic liquids(ILs) against Escherichia coli and Staphylococcus aureus were studied by a micro-calorimetric method at 310 K.The bacterial growth rate constants were determined based on the bacterial growth power-time curves,and minimum biocidal concentrations were estimated.The results indicate that the protic ILs studied show inhibitory activities on the bacteria,implying a potential eoo-toxicity to the microorganisms in the water system.Moreover,the inhibition effect of ionic liquids is related to the structure of the cation and anion of protic ILs.This type of proactive approach could aid in the assessment of the greenness of ILs to be used in the future.

  16. Ionic regulation in genetic translation systems.

    Science.gov (United States)

    Douzou, P; Maurel, P

    1977-03-01

    The polyelectrolyte theory can provide an interpretation of the interdependence of pH, ionic strength, and polyamines one observes in the activity of ribonuclease acting on RNA. According to this theory: (i) A nucleic acid-enzyme complex and the suspending medium may be considered as two phases in equilibrium, even though within limits, the complex is soluble in water. (ii) The enzymatic catalysis is under tight control of the electrostatic potential generated by the system. Consequently, modification in electrostatic potential will induce a concomitant change in activity. (iii) The electrostatic potential can be modified through action on the system of "modulators", either "external" (ionic strength, pH, temperature, etc.) or "internal" (specific ligands, substrates, protein factors, etc.). Similarities between the reaction of ribonuclease (ribonuclease 3'-pyrimidino-oligonucleotidohydrolase; EC 3.1.4.22) and RNA and those observed with highly organized systems catalyzing DNA, RNA, and protein synthesis suggest that the electrostatic potential also provides an important regulatory mechanism in genetic translation. In this view, an essential function of nucleic acids is to provide their enzyme partners with polyanionic microenvironments within which their catalytic activities are controlled by variation in physicochemical parameters, including the proton concentration induced through "modulation" of the local electrostatic potential.

  17. Anodic dissolution of metals in ionic liquids

    Directory of Open Access Journals (Sweden)

    Andrew P. Abbott

    2015-12-01

    Full Text Available The anodic dissolution of metals is an important topic for battery design, material finishing and metal digestion. Ionic liquids are being used in all of these areas but the research on the anodic dissolution is relatively few in these media. This study investigates the behaviour of 9 metals in an ionic liquid [C4mim][Cl] and a deep eutectic solvent, Ethaline, which is a 1:2 mol ratio mixture of choline chloride and ethylene glycol. It is shown that for the majority of metals studied a quasi-passivation of the metal surface occurs, primarily due to the formation of insoluble films on the electrode surface. The behaviour of most metals is different in [C4mim][Cl] to that in Ethaline due in part to the differences in viscosity. The formation of passivating salt films can be decreased with stirring or by increasing the electrolyte temperature, thereby increasing ligand transport to the electrode surface.

  18. Shape memory rubber bands & supramolecular ionic copolymers

    Science.gov (United States)

    Brostowitz, Nicole

    subject covered in this dissertation is supra-molecular ionic copolymers. Supramolecular interactions are non-covalent; e.g. hydrogen bonding, ionic interactions, van der Waals forces. Supramolecular interactions in polymers can be used to tailor the thermo-mechanical properties by controlling bond association and dissociation. Recent research has focused on hydrogen bonded systems due to established synthesis mechanisms. Reversibility of the supramolecular interactions can be triggered by environmental changes. Ionic interactions would provide greater bond strength and more control over operating conditions. Research has been limited on ionic copolymers due to complicated synthesis methods needed to include functionalization. Low molecular weight polymers were synthesized by atom transfer radical polymerization with post polymerization conversion to phosphonium end-groups. Both polystyrene and poly(methyl acrylate) were investigated with similar reaction conditions. Chromatography measured the molecular weight and indicated a low polydispersity consistent with controlled reactions. Copolymers were formed by interfacial mixing of the cationic polymers with multifunctional, anionic oligomers. Oligomers containing sulfonate groups were used to create linear or three-dimensional polymer networks. NMR and rheology was used to characterize the presence and effect of ionic groups when compared to the neat polymer.

  19. CO2 sorption by supported amino acid ionic liquids

    DEFF Research Database (Denmark)

    2014-01-01

    The present invention concerns the absorption and desorption behaviour of carbon dioxide (CO2) using ionic liquids derived from amino acids adsorbed on porous carrier materials.......The present invention concerns the absorption and desorption behaviour of carbon dioxide (CO2) using ionic liquids derived from amino acids adsorbed on porous carrier materials....

  20. An Ionic Liquid Solution of Chitosan as Organocatalyst

    Directory of Open Access Journals (Sweden)

    René Wilhelm

    2013-11-01

    Full Text Available Chitosan, which is derived from the biopolymer chitin, can be readily dissolved in different ionic liquids. The resulting homogeneous solutions were applied in an asymmetric Aldol reaction. Depending on the type of ionic liquid used, high asymmetric inductions were found. The influence of different additives was also studied. The best results were obtained in [BMIM][Br] without an additive.

  1. The Hildebrand Solubility Parameters of Ionic Liquids—Part 2

    Directory of Open Access Journals (Sweden)

    Andrzej Marciniak

    2011-06-01

    Full Text Available The Hildebrand solubility parameters have been calculated for eight ionic liquids. Retention data from the inverse gas chromatography measurements of the activity coefficients at infinite dilution were used for the calculation. From the solubility parameters, the enthalpies of vaporization of ionic liquids were estimated. Results are compared with solubility parameters estimated by different methods.

  2. Method for enhancing the thermal stability of ionic compounds

    DEFF Research Database (Denmark)

    2013-01-01

    This invention relates to a method for enhancing the thermal stability of ionic compounds including ionic liquids, by immobilization on porous solid support materials having a pore diameter of between about 20-200 AA, wherein the solid support does not have a pore size of 90 AA....

  3. Method for enhancing the thermal stability of ionic compounds

    OpenAIRE

    Riisager, Anders; Fehrmann, Rasmus; Robin, Roger; Gabriela, Gurau

    2013-01-01

    This invention relates to a method for enhancing the thermal stability of ionic compounds including ionic liquids, by immobilization on porous solid support materials having a pore diameter of between about 20-200 AA, wherein the solid support does not have a pore size of 90 AA.

  4. The Origin of the Ionic-Radius Ratio Rules

    Science.gov (United States)

    Jensen, William B.

    2010-01-01

    In response to a reader query, this article traces the origins of the ionic-radius ratio rules and their incorrect attribution to Linus Pauling in the chemical literature and to Victor Goldschmidt in the geochemical literature. In actual fact, the ionic-radius ratio rules were first proposed within the context of the coordination chemistry…

  5. Absorption and oxidation of no in ionic liquids

    DEFF Research Database (Denmark)

    2013-01-01

    The present invention concerns the absorption and in situ oxidation of nitric oxide (NO) in the presence of water and oxygen in ionic liquid compositions at ambient temperature.......The present invention concerns the absorption and in situ oxidation of nitric oxide (NO) in the presence of water and oxygen in ionic liquid compositions at ambient temperature....

  6. Dynamic dielectrophoresis model of multi-phase ionic fluids.

    Directory of Open Access Journals (Sweden)

    Ying Yan

    Full Text Available Ionic-based dielectrophoretic microchips have attracted significant attention due to their wide-ranging applications in electro kinetic and biological experiments. In this work, a numerical method is used to simulate the dynamic behaviors of ionic droplets in a microchannel under the effect of dielectrophoresis. When a discrete liquid dielectric is encompassed within a continuous fluid dielectric placed in an electric field, an electric force is produced due to the dielectrophoresis effect. If either or both of the fluids are ionic liquids, the magnitude and even the direction of the force will be changed because the net ionic charge induced by an electric field can affect the polarization degree of the dielectrics. However, using a dielectrophoresis model, assuming ideal dielectrics, results in significant errors. To avoid the inaccuracy caused by the model, this work incorporates the electrode kinetic equation and defines a relationship between the polarization charge and the net ionic charge. According to the simulation conditions presented herein, the electric force obtained in this work has an error exceeding 70% of the actual value if the false effect of net ionic charge is not accounted for, which would result in significant issues in the design and optimization of experimental parameters. Therefore, there is a clear motivation for developing a model adapted to ionic liquids to provide precise control for the dielectrophoresis of multi-phase ionic liquids.

  7. Crystal Structure-Ionic Conductivity Relationships in Doped Ceria Systems

    DEFF Research Database (Denmark)

    Omar, Shobit; Wachsman, Eric D.; Jones, Jacob L.;

    2009-01-01

    In the past, it has been suggested that the maximum ionic conductivity is achieved in ceria, when doped with an acceptor cation that causes minimum distortion in the cubic fluorite crystal lattice. In the present work, this hypothesis is tested by measuring both the ionic conductivity and elastic...

  8. Brownian dynamics determine universality of charge transport in ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Sangoro, Joshua R [ORNL; Iacob, Ciprian [University of Leipzig; Mierzwa, Michal [University of Silesia, Uniwersytecka, Katowice, Poland; Paluch, Marian [University of Silesia, Uniwersytecka, Katowice, Poland; Kremer, Friedrich [University of Leipzig

    2012-01-01

    Broadband dielectric spectroscopy is employed to investigate charge transport in a variety of glass-forming ionic liquids over wide frequency, temperature and pressure ranges. Using a combination of Einstein, Einstein-Smoluchowski, and Langevin relations, the observed universal scaling of charge transport in ionic liquids is traced back to the dominant role of Brownian dynamics.

  9. Synthesis and Characterization of Dual Acidic Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    Xiao Hua WANG; Guo Hong TAO; Zi Yan ZHANG; Yuan KOU

    2005-01-01

    Novel ionic liquids with dual acidity, of which the cation contains Bronsted acidity and anions contain Lewis acidity were synthesized. These ionic liquids obtained were identified by NMR,FT-IR, SDT and FAB-MS. Their acidities were determined by pyridine probe on IR spectrography.

  10. Polarity of the interface in ionic liquid in oil microemulsions.

    Science.gov (United States)

    Andújar-Matalobos, María; García-Río, Luis; López-García, Susana; Rodríguez-Dafonte, Pedro

    2011-11-01

    Ionic liquid based microemulsions were characterized by absorption solvatochromic shifts, (1)H NMR and kinetic measurements in order to investigate the properties of the ionic liquid within the restricted geometry provided by microemulsions and the interactions of the ionic liquid with the interface. Experimental results show a significant difference between the interfaces of normal water and the new ionic liquid microemulsions. Absorption solvatochromic shift experiments and kinetic studies on the aminolysis of 4-nitrophenyl laurate by n-decylamine show that the polarity at the interface of the ionic liquid in oil microemulsions (IL/O) is higher than at the interface of water in oil microemulsions (W/O) despite the fact that the polarity of [bmim][BF(4)(-)] is lower than the polarity of water. (1)H NMR experiments showed that an increase in the ionic liquid content of the microemulsion led to an increase in the interaction between [bmim][BF(4)(-)] and TX-100. The reason for the higher polarity of the microemulsions with the ionic liquid can be explained in terms of the incorporation of higher levels of the ionic liquid at the interface of the microemulsions, as compared to water in the traditional systems.

  11. Ionic Liquids and Green Chemistry: A Lab Experiment

    Science.gov (United States)

    Stark, Annegret; Ott, Denise; Kralisch, Dana; Kreisel, Guenter; Ondruschka, Bernd

    2010-01-01

    Although ionic liquids have been investigated as solvents for many applications and are starting to be used in industrial processes, only a few lab experiments are available to introduce students to these materials. Ionic liquids have been discussed in the context of green chemistry, but few investigations have actually assessed the degree of…

  12. Combined reactions and separations using ionic liquids and carbon dioxide

    NARCIS (Netherlands)

    Kroon, M.C.

    2006-01-01

    A new and general type of process for the chemical industry is presented using ionic liquids and supercritical carbon dioxide as combined reaction and separation media. In this process, the carbon dioxide pressure controls the miscibility of reactants, products, catalyst and ionic liquid, enabling f

  13. Ionic Liquid Electrolytes for Flexible Dye-Sensitized Solar Cells

    Science.gov (United States)

    2014-09-01

    Ionic Liquid Electrolytes for Flexible Dye-Sensitized Solar Cells by Charles Brandon Sweeney, Mark Bundy, Mark Griep, and Shashi P. Karna...ARL-TR-7100 September 2014 Ionic Liquid Electrolytes for Flexible Dye-Sensitized Solar Cells Charles Brandon Sweeney Texas A&M...

  14. Multi-responsive ionic liquid emulsions stabilized by microgels

    NARCIS (Netherlands)

    Monteillet, H.J.M.; Workamp, M.J.; Li, X.; Schuur, B.; Kleijn, J.M.; Leermakers, F.A.M.; Sprakel, J.H.B.

    2014-01-01

    We present a complete toolbox to use responsive ionic liquid (IL) emulsions for extraction purposes. IL emulsions stabilized by responsive microgels are shown to allow rapid extraction and reversible breaking and re-emulsification. Moreover, by using a paramagnetic ionic liquid, droplets can be easi

  15. Defining stakeholder involvement in participatory design processes

    NARCIS (Netherlands)

    Vink, P.; Imada, A.S.; Zink, K.J.

    2008-01-01

    A participatory approach could be used to implement work place or organizational improvements. However, the question is which participants should be involved and how. In this paper the theoretical involvement in different steps of a linear stepwise approach is described and compared with the latest

  16. Promoting Active Involvement in Classrooms

    Science.gov (United States)

    Conderman, Greg; Bresnahan, Val; Hedin, Laura

    2012-01-01

    This article presents a rationale for using active involvement techniques, describes large- and small-group methods based on their documented effectiveness and applicability to K-12 classrooms, and illustrates their use. These approaches include ways of engaging students in large groups (e.g., unison responses, response cards, dry-erase boards,…

  17. Voltage charging enhances ionic conductivity in gold nanotube membranes.

    Science.gov (United States)

    Gao, Peng; Martin, Charles R

    2014-08-26

    Ionically conductive membranes are used in many electrochemical processes and devices, including batteries, fuel cells, and electrolyzers. In all such applications, it is advantageous to use membranes with high ionic conductivity because membrane resistance causes a voltage loss suffered by the cell. We describe here a method for enhancing ionic conductivity in membranes containing small diameter (4 nm) gold nanotubes. This entails making the gold nanotube membrane the working electrode in an electrochemical cell and applying a voltage to the membrane. We show here that voltage charging in this way can increase membrane ionic conductivity by over an order of magnitude. When expressed in terms of the ionic conductivity of the electrolyte, κ, within an individual voltage-charged tube, the most negative applied voltage yielded a κ comparable to that of 1 M aqueous KCl, over 2 orders of magnitude higher than κ of the 0.01 M KCl solution contacting the membrane.

  18. Interactions between water and 1-butyl-1-methylpyrrolidinium ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Fadeeva, Tatiana A.; DeVine, Jessalyn A.; Castner, Edward W., E-mail: ed.castner@rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854 (United States); Husson, Pascale [CNRS, UMR 6296, Institut de Chimie de Clermont-Ferrand, BP 80026, F-63171 Aubière (France); Clermont Université, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, BP 10448, F-63000 Clermont-Ferrand (France); Costa Gomes, Margarida F. [CNRS, UMR 6296, Institut de Chimie de Clermont-Ferrand, BP 80026, F-63171 Aubière (France); Greenbaum, Steven G. [Department of Physics and Astronomy, Hunter College, CUNY, New York, New York 10065 (United States)

    2015-08-14

    We report experimental results on the diffusivity of water in two ionic liquids obtained using the pulsed-gradient spin-echo NMR method. Both ionic liquids have the same cation, 1-butyl-1-methylpyrrolidinium, but different trifluoromethyl-containing anions. One has a strongly hydrophobic anion, bis(trifluoromethylsulfonyl)amide, while the second has a hydrophilic anion, trifluoromethylsulfonate. Transport of water in these ionic liquids is much faster than would be predicted from hydrodynamic laws, indicating that the neutral water molecules experience a very different friction than the anions and cations at the molecular level. Temperature-dependent viscosities, conductivities, and densities are reported as a function of water concentration to further analyze the properties of the ionic liquid-water mixtures. These results on the properties of water in ionic liquids should be of interest to researchers in diverse areas ranging from separations, solubilizing biomass and energy technologies.

  19. Interactions between water and 1-butyl-1-methylpyrrolidinium ionic liquids.

    Science.gov (United States)

    Fadeeva, Tatiana A; Husson, Pascale; DeVine, Jessalyn A; Costa Gomes, Margarida F; Greenbaum, Steven G; Castner, Edward W

    2015-08-14

    We report experimental results on the diffusivity of water in two ionic liquids obtained using the pulsed-gradient spin-echo NMR method. Both ionic liquids have the same cation, 1-butyl-1-methylpyrrolidinium, but different trifluoromethyl-containing anions. One has a strongly hydrophobic anion, bis(trifluoromethylsulfonyl)amide, while the second has a hydrophilic anion, trifluoromethylsulfonate. Transport of water in these ionic liquids is much faster than would be predicted from hydrodynamic laws, indicating that the neutral water molecules experience a very different friction than the anions and cations at the molecular level. Temperature-dependent viscosities, conductivities, and densities are reported as a function of water concentration to further analyze the properties of the ionic liquid-water mixtures. These results on the properties of water in ionic liquids should be of interest to researchers in diverse areas ranging from separations, solubilizing biomass and energy technologies.

  20. Electronic and Ionic Transport Dynamics in Organolead Halide Perovskites.

    Science.gov (United States)

    Li, Dehui; Wu, Hao; Cheng, Hung-Chieh; Wang, Gongming; Huang, Yu; Duan, Xiangfeng

    2016-07-26

    Ion migration has been postulated as the underlying mechanism responsible for the hysteresis in organolead halide perovskite devices. However, the electronic and ionic transport dynamics and how they impact each other in organolead halide perovskites remain elusive to date. Here we report a systematic investigation of the electronic and ionic transport dynamics in organolead halide perovskite microplate crystals and thin films using temperature-dependent transient response measurements. Our study reveals that thermally activated ionic and electronic conduction coexist in perovskite devices. The extracted activation energies suggest that the electronic transport is easier, but ions migrate harder in microplates than in thin films, demonstrating that the crystalline quality and grain boundaries can fundamentally modify electronic and ionic transport in perovskites. These findings offer valuable insight on the electronic and ionic transport dynamics in organolead halide perovskites, which is critical for optimizing perovskite devices with reduced hysteresis and improved stability and efficiency.

  1. Biophysical properties of DNA in hydrated ionic liquids

    Science.gov (United States)

    Jumbri, Khairulazhar; Ahmad, Haslina; Abdulmalek, Emilia; Rahman, Mohd Basyaruddin Abdul

    2016-11-01

    The biophysical properties and behavior of natural calf thymus DNA in hydrated 1-ethyl-3-butylimidazolium bromide ionic liquid ([C2bim]Br) have been studied using spectroscopy technique. The effect of ionic liquid concentration and temperature towards the duplex B-DNA conformation were determined. The presence of ionic liquid causes higher duplex DNA stability with the DNA melting temperature of ˜56°C without any addition of buffer solutions. The electrostatic attraction between ionic liquid's cation and DNA phosphates groups was found play a main role in stabilizing native DNA structure. Understanding of the biophysical properties of DNA in this ionic media could be used as a platform for future development of specific solvent for nucleic acid nanotechnology.

  2. Corrosion behavior of construction materials for ionic liquid hydrogen compressor

    DEFF Research Database (Denmark)

    Arjomand Kermani, Nasrin; Petrushina, Irina; Nikiforov, Aleksey Valerievich

    2016-01-01

    The corrosion behavior of various commercially available stainless steels and nickel-based alloys as possible construction materials for components which are in direct contact with one of five different ionic liquids was evaluated. The ionic liquids, namely: 1-ethyl-3-methylimidazolium triflate, 1...... liquid hydrogen compressor. An electrochemical cell was specially designed, and steady-state cyclic voltammetry was used to measure the corrosion resistance of the alloys in the ionic liquids at 23 °C, under atmospheric pressure. The results showed a very high corrosion resistance and high stability...... for all the alloys tested. The two stainless steels, AISI 316L and AISI 347 showed higher corrosion resistance compared to AISI 321 in all the ionic liquids tested. It was observed that small addition of molybdenum, tantalum, and niobium to the alloys increased the corrosion stability in the ionic liquids...

  3. Recyclability of an ionic liquid for biomass pretreatment.

    Science.gov (United States)

    Weerachanchai, Piyarat; Lee, Jong-Min

    2014-10-01

    This study investigated the possibility of reusing an ionic liquid for the pretreatment of biomass. The effects of lignin and water content in a pretreatment solvent on pretreatment products were examined, along with the recyclability of an ionic liquid for pretreatment. It was discovered that the presence of lignin and water within a pretreatment solvent resulted in a far less effective pretreatment process. 1-Ethyl-3-methylimidazolium acetate/ethanolamine (60/40 vol%) presents more promising properties than EMIM-AC, providing a small decrease in sugar conversion and also a small increase of lignin deposition with an increasing lignin amount in the pretreatment solvent. Deteriorations of the ionic liquid were observed from considerably low sugar conversions and lignin extraction after using the 5th and 7th batch, respectively. Furthermore, the changes of ionic liquid properties and lignin accumulation in ionic liquid were determined by analyzing their thermal decomposition behavior (TGA) and chemical functional groups (FTIR and (1)H NMR).

  4. Dependence of Force Produced by Polypyrrole Based Artificial Muscles on Ionic Species Involved

    DEFF Research Database (Denmark)

    Careem, M.A.; Vidanapathirana, K.P.; Skaarup, Steen

    2004-01-01

    Artificial muscles have been fabricated in the form bilayer strips using an insulating polymer layer and polypyrrole (PPy) conducting polymer film, and the force produced by them during redox processes have been investigated. This study reports the effects of anions in the polymerization electrol......Artificial muscles have been fabricated in the form bilayer strips using an insulating polymer layer and polypyrrole (PPy) conducting polymer film, and the force produced by them during redox processes have been investigated. This study reports the effects of anions in the polymerization...

  5. Temporal and spatial mouse brain expression of cereblon, an ionic channel regulator involved in human intelligence.

    Science.gov (United States)

    Higgins, Joseph J; Tal, Adit L; Sun, Xiaowei; Hauck, Stefanie C R; Hao, Jin; Kosofosky, Barry E; Rajadhyaksha, Anjali M

    2010-03-01

    A mild form of autosomal recessive, nonsyndromal intellectual disability (ARNSID) in humans is caused by a homozygous nonsense mutation in the cereblon gene (mutCRBN). Rodent crbn protein binds to the intracellular C-terminus of the large conductance Ca(2+)-activated K(+)channel (BK(Ca)). An mRNA variant (human SITE 2 INSERT or mouse strex) of the BK(Ca) gene (KCNMA1) that is normally expressed during embryonic development is aberrantly expressed in mutCRBN human lymphoblastoid cell lines (LCLs) as compared to wild-type (wt) LCLs. The present study analyzes the temporal and spatial distribution of crbn and kcnma1 mRNAs in the mouse brain by the quantitative real-time reverse transcriptase-polymerase chain reaction (qPCR). The spatial expression pattern of endogenous and exogenous crbn proteins is characterized by immunostaining. The results show that neocortical (CTX) crbn and kcnma1 mRNA expression increases from embryonic stages to adulthood. The strex mRNA variant is >3.5-fold higher in embryos and decreases rapidly postnatally. Mouse crbn mRNA is abundant in the cerebellum (CRBM), with less expression in the CTX, hippocampus (HC), and striatum (Str) in adult mice. The intracytoplasmic distribution of endogenous crbn protein in the mouse CRBM, CTX, HC, and Str is similar to the immunostaining pattern described previously for the BK(Ca) channel. Exogenous hemagglutinin (HA) epitope-tagged human wt- and mutCRBN proteins using cDNA transfection in HEK293T cell lines showed the same intracellular expression distribution as endogenous mouse crbn protein. The results suggest that mutCRBN may cause ARNSID by disrupting the developmental regulation of BK(Ca) in brain regions that are critical for memory and learning.

  6. Who and What Does Involvement Involve?

    DEFF Research Database (Denmark)

    Hansen, Jeppe Oute; Petersen, Anders; Huniche, Lotte

    2015-01-01

    This article gives an account of aspects of a multi-sited field study of involvement of relatives in Danish psychiatry. By following metaphors of involvement across three sites of the psychiatric systema family site, a clinical site and a policy sitethe first author (J.O.) investigated how...

  7. Fast Conversion of Ionic Liquids and Poly(Ionic Liquid)s into Porous Nitrogen-Doped Carbons in Air

    OpenAIRE

    2016-01-01

    Ionic liquids and poly(ionic liquid)s have been successfully converted into nitrogen-doped porous carbons with tunable surface area up to 1200 m2/g at high temperatures in air. Compared to conventional carbonization process conducted under inert gas to produce nitrogen-doped carbons, the new production method was completed in a rather shorter time without noble gas protection.

  8. Electrochemistry of tin in the 1-ethyl-3-methylimidazolium dicyanamide room temperature ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Leong, Tin-Iao; Hsieh, Yi-Ting [Department of Chemistry, National Cheng Kung University, Tainan, Taiwan (China); Sun, I-Wen, E-mail: iwsun@mail.ncku.edu.t [Department of Chemistry, National Cheng Kung University, Tainan, Taiwan (China)

    2011-04-15

    Research highlights: {yields} The electrochemistry of Sn(II) was studied in the room temperature ionic liquid 1-ethyl-3-methylimidazolium dicyanamide (EMI-DCA) on a glassy carbon (GC) and a polycrystalline Pt electrode at 40 {sup o}C. {yields} The Sn(II) species was introduced into the ionic liquid by either dissolution of SnCl{sub 2} or anodizing a Sn wire. {yields} The reduction potential of the Sn(II)/Sn couple produced in these two solutions was found to be different, indicating that different Sn(II) species may be present. {yields} The diffusion coefficient of SnCl{sub 2} dissolved in the EMI-DCA was in the same order of magnitude as those reported for SnCl{sub 2} in several other ionic liquids. {yields} Depending on the deposition potentials, potentiostatic electrolysis produced Sn deposits with various unusual morphologies such as hexagonal tubes, spiral nanowires, and dendrite. - Abstract: The electrochemistry of Sn(II) was studied in the room temperature ionic liquid 1-ethyl-3-methylimidazolium dicyanamide (EMI-DCA) on a glassy carbon (GC) and a polycrystalline Pt electrode at 40 {sup o}C. The Sn(II) species was introduced into the ionic liquid by either dissolution of SnCl{sub 2} or anodizing a Sn wire. The reduction potential of the Sn(II)/Sn couple produced in these two solutions was found to be different, indicating that different Sn(II) species may be present. The order of the reduction potential of the two Sn(II) species indicates that the Gutmann donor ability of the anions is likely to be DCA{sup -} > Cl{sup -}. Cyclic voltammetry indicates the stripping efficiency is >90% on the Pt but only 40% on the GC electrode. Analysis of the chronoamperometric transient behavior during electrodeposition suggests that the deposition of Sn on the GC electrode involves a three dimensional progressive nucleation on a finite number of active sites. The diffusion coefficient of SnCl{sub 2} dissolved in the EMI-DCA was found to be 9.8 x 10{sup -7} cm{sup 2} s

  9. Improved activity of a thermophilic cellulase, Cel5A, from Thermotoga maritima on ionic liquid pretreated switchgrass.

    Directory of Open Access Journals (Sweden)

    Zhiwei Chen

    Full Text Available Ionic liquid pretreatment of biomass has been shown to greatly reduce the recalcitrance of lignocellulosic biomass, resulting in improved sugar yields after enzymatic saccharification. However, even under these improved saccharification conditions the cost of enzymes still represents a significant proportion of the total cost of producing sugars and ultimately fuels from lignocellulosic biomass. Much of the high cost of enzymes is due to the low catalytic efficiency and stability of lignocellulolytic enzymes, especially cellulases, under conditions that include high temperatures and the presence of residual pretreatment chemicals, such as acids, organic solvents, bases, or ionic liquids. Improving the efficiency of the saccharification process on ionic liquid pretreated biomass will facilitate reduced enzyme loading and cost. Thermophilic cellulases have been shown to be stable and active in ionic liquids but their activity is typically at lower levels. Cel5A_Tma, a thermophilic endoglucanase from Thermotoga maritima, is highly active on cellulosic substrates and is stable in ionic liquid environments. Here, our motivation was to engineer mutants of Cel5A_Tma with higher activity on 1-ethyl-3-methylimidazolium acetate ([C2mim][OAc] pretreated biomass. We developed a robotic platform to screen a random mutagenesis library of Cel5A_Tma. Twelve mutants with 25-42% improvement in specific activity on carboxymethyl cellulose and up to 30% improvement on ionic-liquid pretreated switchgrass were successfully isolated and characterized from a library of twenty thousand variants. Interestingly, most of the mutations in the improved variants are located distally to the active site on the protein surface and are not directly involved with substrate binding.

  10. Optimal Extraction of Gallic Acid from Suaeda glauca Bge. Leaves and Enhanced Efficiency by Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Xin-Hong Wang

    2016-01-01

    Full Text Available The ultrasound-assisted extraction (UAE was initially applied to extract gallic acid from Suaeda glauca Bge. using 70% ethanol as extraction solvent. Temperature, liquid-solid ratio, and extraction time were optimized by response surface methodology (RSM, obtaining maximum levels of gallic acid (6.30 mg·g−1 at 51°C, 19.52 mL·g−1, and 42.68 min, respectively. The obtained model was statistically significant (p<0.0001. The verification experiments at the optimum conditions yielded gallic acid for 6.21 mg·g−1. Subsequently, under optimal conditions, four ionic liquids were used to extract gallic acid from Suaeda glauca Bge. The results indicated that the presence of 1-hexyl-3-methylimidazolium chloride allowed increasing the EE of gallic acid up to 8.90 mg·g−1. This might be interpreted in terms of the molecular interaction between ionic liquid and gallic acid. The use of ionic liquids involves a stronger gallic acid extraction capacity than conventional organic volatile solvents. A promising alternative process is proposed for the extraction of gallic acid of Suaeda glauca Bge.

  11. Comprehending the interaction between chitosan and ionic liquid for the adsorption of palladium.

    Science.gov (United States)

    Kumar, A Santhana Krishna; Sharma, Shivani; Reddy, R Sudheer; Barathi, M; Rajesh, N

    2015-01-01

    Biopolymers and ionic liquids are of prime importance in numerous applications. Recovery of industrially important noble metals such as palladium is of paramount significance considering their diverse applications. The main idea behind this work was to develop an effective strategy involving the impregnation of Aliquat-336 (ionic liquid) onto chitosan as a novel adsorbent for the adsorption of Pd(II). The analytical characterization was systematically done through FT-IR, XRD, SEM and EDX analysis. The interaction of the amino and hydroxyl functional groups in chitosan with the cationic nitrogen in the ionic liquid could be established through the above characterization. Several key parameters such as pH influence, amount of adsorbent, isotherms, kinetics and thermodynamic studies were also studied in detail for the adsorption of palladium. The effectiveness of adsorption was observed between pH 3.5-4.0 with 50 mL of 120 mg L(-1) Pd(II) solution giving a commendable monolayer adsorption capacity of 187.61 mg g(-1).

  12. Antiferromagnetic ordering in magnetic ionic liquid Emim[FeCl{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Pedro, I. de, E-mail: depedrovm@unican.e [CITIMAC, Facultad de Ciencias, Universidad de Cantabria, 39005 Santander (Spain); Rojas, D.P. [CITIMAC, Facultad de Ciencias, Universidad de Cantabria, 39005 Santander (Spain); Blanco, Jesus A. [Departamento de Fisica, Universidad de Oviedo, 33007 Oviedo (Spain); Fernandez, J. Rodriguez [CITIMAC, Facultad de Ciencias, Universidad de Cantabria, 39005 Santander (Spain)

    2011-05-15

    The magnetic ionic liquids (MILs) are considered to open up a wide range of applications because of their magnetic and electrochromic switching. Until recently almost all magnetic ionic liquids containing tetrachloroferrate ion FeCl{sub 4}{sup -} evidenced a paramagnetic temperature dependence of the magnetic susceptibility, with only small deviations from the Curie law at low temperatures. However, 1-ethyl-3-methylimidazolium tetrachloroferrate, Emim[FeCl{sub 4}], clearly exhibits a long-range antiferromagnetic ordering below the Neel temperature T{sub N}{approx}3.8 K. In addition, the shape of the magnetic ordering depends on the cooling speed, indicating that the magnetic coupling could be modified. - Research highlights: Study of MILs is a new and emergent field, involving chemistry, physics, and engineering. MILs have potential applications in relation with their magnetic properties. We present for the first time a long-range magnetic ordering of an ionic liquid. The long-range magnetic ordering depends on the cooling speed.

  13. Physico-Chemical Properties and Phase Behaviour of Pyrrolidinium-Based Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Urszula Domańska

    2010-04-01

    Full Text Available A review of the relevant literature on 1-alkyl-1-methylpyrrolidinium-based ionic liquids has been presented. The phase diagrams for the binary systems of {1-ethyl-1-methylpyrrolidinium trifluoromethanesulfonate (triflate [EMPYR][CF3SO3] + water, or + 1-butanol} and for the binary systems of {1-propyl-1-methylpyrrolidinium trifluoromethanesulfonate (triflate [PMPYR][CF3SO3] + water, or + an alcohol (1-butanol, 1-hexanol, 1-octanol, 1-decanol} have been determined at atmospheric pressure using a dynamic method. The influence of alcohol chain length was discussed for the [PMPYR][CF3SO3]. A systematic decrease in the solubility was observed with an increase of the alkyl chain length of an alcohol. (Solid + liquid phase equilibria with complete miscibility in the liquid phase region were observed for the systems involving water and alcohols. The solubility of the ionic liquid increases as the alkyl chain length on the pyrrolidinium cation increases. The correlation of the experimental data has been carried out using the Wilson, UNIQUAC and the NRTL equations. The phase diagrams reported here have been compared to the systems published earlier with the 1-alkyl-1-methylpyrrolidinium-based ionic liquids. The influence of the cation and anion on the phase behaviour has been discussed. The basic thermal properties of pure ILs, i.e., melting temperature and the enthalpy of fusion, the solid-solid phase transition temperature and enthalpy have been measured using a differential scanning microcalorimetry technique.

  14. Spatial and Temporal Dynamics in the Ionic Driving Force for GABAA Receptors

    Directory of Open Access Journals (Sweden)

    R. Wright

    2011-01-01

    Full Text Available It is becoming increasingly apparent that the strength of GABAergic synaptic transmission is dynamic. One parameter that can establish differences in the actions of GABAergic synapses is the ionic driving force for the chloride-permeable GABAA receptor (GABAAR. Here we review some of the sophisticated ways in which this ionic driving force can vary within neuronal circuits. This driving force for GABAARs is subject to tight spatial control, with the distribution of Cl− transporter proteins and channels generating regional variation in the strength of GABAAR signalling across a single neuron. GABAAR dynamics can result from short-term changes in their driving force, which involve the temporary accumulation or depletion of intracellular Cl−. In addition, activity-dependent changes in the expression and function of Cl− regulating proteins can result in long-term shifts in the driving force for GABAARs. The multifaceted regulation of the ionic driving force for GABAARs has wide ranging implications for mature brain function, neural circuit development, and disease.

  15. Dissolution kinetics and mechanisms at dolomite-water interfaces: effects of electrolyte specific ionic strength.

    Science.gov (United States)

    Xu, Man; Sullivan, Katie; Vanness, Garrett; Knauss, Kevin G; Higgins, Steven R

    2013-01-02

    Elucidating dissolution kinetics and mechanisms at carbonate mineral-water interfaces is essential to many environmental and geochemical processes, including geologic CO(2) sequestration in deep aquifers. In the present work, effects of background electrolytes on dolomite (CaMg(CO(3))(2)) reactivity were investigated by measuring step dissolution rates using in situ hydrothermal atomic force microscopy (HAFM) at 90 °C. Cleaved surfaces of dolomite were exposed to sodium chloride and tetramethylammonium chloride (TMACl) aqueous solutions with ionic strengths (I) ranging from 0 to 0.77 m at pH 4 and pH 9. HAFM results demonstrated that dolomite step retreat rates increased with increasing solution ionic strength and decreasing pH. Comparison of [481] and [441] steps revealed that the anisotropy of [481] and [441] step speeds became significant as solution ionic strength increased, with NaCl exerting more pronounced effects than TMACl for the same I. To interpret the different trends observed for NaCl and TMACl, a dissolution mechanism involving orientation-dependent ion adsorption and consequent edge free energy changes is proposed.

  16. The microwave-assisted ionic-liquid method: a promising methodology in nanomaterials.

    Science.gov (United States)

    Ma, Ming-Guo; Zhu, Jie-Fang; Zhu, Ying-Jie; Sun, Run-Cang

    2014-09-01

    In recent years, the microwave-assisted ionic-liquid method has been accepted as a promising methodology for the preparation of nanomaterials and cellulose-based nanocomposites. Applications of this method in the preparation of cellulose-based nanocomposites comply with the major principles of green chemistry, that is, they use an environmentally friendly method in environmentally preferable solvents to make use of renewable materials. This minireview focuses on the recent development of the synthesis of nanomaterials and cellulose-based nanocomposites by means of the microwave-assisted ionic-liquid method. We first discuss the preparation of nanomaterials including noble metals, metal oxides, complex metal oxides, metal sulfides, and other nanomaterials by means of this method. Then we provide an overview of the synthesis of cellulose-based nanocomposites by using this method. The emphasis is on the synthesis, microstructure, and properties of nanostructured materials obtained through this methodology. Our recent research on nanomaterials and cellulose-based nanocomposites by this rapid method is summarized. In addition, the formation mechanisms involved in the microwave-assisted ionic-liquid synthesis of nanostructured materials are discussed briefly. Finally, the future perspectives of this methodology in the synthesis of nanostructured materials are proposed.

  17. A profiling approach of the natural variability of foliar N remobilization at the rosette stage gives clues to understand the limiting processes involved in the low N use efficiency of winter oilseed rape.

    Science.gov (United States)

    Girondé, Alexandra; Poret, Marine; Etienne, Philippe; Trouverie, Jacques; Bouchereau, Alain; Le Cahérec, Françoise; Leport, Laurent; Orsel, Mathilde; Niogret, Marie-Françoise; Deleu, Carole; Avice, Jean-Christophe

    2015-05-01

    Oilseed rape, a crop requiring a high level of nitogen (N) fertilizers, is characterized by low N use efficiency. To identify the limiting factors involved in the N use efficiency of winter oilseed rape, the response to low N supply was investigated at the vegetative stage in 10 genotypes by using long-term pulse-chase (15)N labelling and studying the physiological processes of leaf N remobilization. Analysis of growth and components of N use efficiency allowed four profiles to be defined. Group 1 was characterized by an efficient N remobilization under low and high N conditions but by a decrease of leaf growth under N limitation. Group 2 showed a decrease in leaf growth under low N supply that was associated with a low N remobilization efficiency under both N supplies despite a high remobilization of soluble proteins. In response to N limitation, Group 3 is characterized by an increase in N use efficiency and leaf N remobilization compared with high N that is not sufficient to sustain the leaf biomass production at a similar level to non-limited plants. Genotypes of Group 4 subjected to low nitrate were able to maintain leaf growth to the same level as under high N. The profiling approach indicated that enhancement of amino acid export and soluble protein degradation was crucial for N remobilization improvement. At the whole-plant level, N fluxes revealed that Group 4 showed a high N remobilization in source leaves combined with a better N utilization in young leaves. Consequently, an enhanced N remobilization limits N loss in fallen leaves, but this remobilized N needs to be efficiently utilized in young leaves to improve N use efficiency.

  18. A Bioinspired Multifunctional Heterogeneous Membrane with Ultrahigh Ionic Rectification and Highly Efficient Selective Ionic Gating.

    Science.gov (United States)

    Zhang, Zhen; Kong, Xiang-Yu; Xiao, Kai; Xie, Ganhua; Liu, Qian; Tian, Ye; Zhang, Huacheng; Ma, Jie; Wen, Liping; Jiang, Lei

    2016-01-06

    A bioinspired multifunctional heterogeneous membrane composed of a block copolymer (PS-b-P4VP) membrane and a porous anodic alumina membrane is fabricated. The ionic rectification is so strong that the maximum ratio is ≈489, and the chemical actuation of the anion or cation gate from the "OFF" to the "ON" state promotes a 98.5% increase in the channel conductance.

  19. Modern ab initio valence bond theory calculations reveal charge shift bonding in protic ionic liquids.

    Science.gov (United States)

    Patil, Amol Baliram; Bhanage, Bhalchandra Mahadeo

    2016-06-21

    The nature of bonding interactions between the cation and the anion of an ionic liquid is at the heart of understanding ionic liquid properties. A particularly interesting case is a special class of ionic liquids known as protic ionic liquids. The extent of proton transfer in protic ionic liquids has been observed to vary according to the interacting species. Back proton transfer renders protic ionic liquids volatile and to be considered as inferior ionic liquids. We try to address this issue by employing modern ab initio valence bond theory calculations. The results indicate that the bonding in the cation and the anion of a prototypical ionic liquid, ethylammonium nitrate, is fundamentally different. It is neither characteristic of covalent/polar covalent bonding nor ionic bonding but rather charge shift bonding as a resonance hybrid of two competing ionic molecular electronic structure configurations. An investigation of other analogous protic ionic liquids reveals that this charge shift bonding seems to be a typical characteristic of protic ionic liquids while the ionic solid analogue compound ammonium nitrate has less charge shift bonding character as compared to protic ionic liquids. Further the extent of charge shift bonding character has been found to be congruent with the trends in many physicochemical properties such as melting point, conductivity, viscosity, and ionicity of the studied ionic liquids indicating that percentage charge shift character may serve as a key descriptor for large scale computational screening of ionic liquids with desired properties.

  20. A Cyclist's Guide to Ionic Concentration

    Science.gov (United States)

    Last, Arthur M.

    1998-11-01

    A simple analogy to help students understand ionic concentration is presented. A common problem among beginning chemistry students is the failure to recognize that in a solution containing 0.1 mol L-1 sodium chloride, the concentration of chloride ion is 0.1 mol L-1, not 0.05 mol L-1. Similarly, many students do not understand that in a solution containing 0.1 mol L-1 magnesium chloride, the concentration of chloride ion is 0.2 mol L-1. To help students overcome such problems, an analogy has been developed in which a salt such as sodium chloride is compared to a unicycle, consisting of a frame and a wheel; magnesium chloride is compared to a bicycle, consisting of a frame and two wheels; and so on. Complete (i.e., 100%) dissociation is assumed throughout the discussion.