WorldWideScience

Sample records for solvent reorganization energies

  1. Vertical detachment energy of hydrated electron based on a modified form of solvent reorganization energy.

    Science.gov (United States)

    Wang, Xing-Jian; Zhu, Quan; Li, Yun-Kui; Cheng, Xue-Min; Li, Xiang-Yuan; Fu, Ke-Xiang; He, Fu-Cheng

    2010-02-18

    In this work, the constrained equilibrium principle is introduced and applied to the derivations of the nonequilibrium solvation free energy and solvent reorganization energy in the process of removing the hydrated electron. Within the framework of the continuum model, a modified expression of the vertical detachment energy (VDE) of a hydrated electron in water is formulated. Making use of the approximation of spherical cavity and point charge, the variation tendency of VDE accompanying the size increase of the water cluster has been inspected. Discussions comparing the present form of the VDE and the traditional one and the influence of the cavity radius in either the fixed pattern or the varying pattern on the VDE have been made.

  2. Modeling Loop Reorganization Free Energies of Acetylcholinesterase: A Comparison of Explicit and Implicit Solvent Models

    National Research Council Canada - National Science Library

    Olson, Mark

    2004-01-01

    ... screening of charge-charge interactions. This paper compares different solvent models applied to the problem of estimating the free-energy difference between two loop conformations in acetylcholinesterase...

  3. Investigation of solvent dynamic effects on the electron self-exchange in two thianthrene couples with large inner reorganization energies.

    Science.gov (United States)

    Choto, P; Rasmussen, K; Grampp, G

    2015-02-07

    The large structural difference between thianthrene radical cations and their neutral parent molecules can possibly affect their electron self-exchange reactions. Before this can be investigated experimentally, it is necessary to first understand the influence of the solvent on such electron transfer reactions. To achieve this, the rate constants of the electron self-exchange reactions of the Th˙(+)/Th and MTh˙(+)/MTh (Th = thianthrene, MTh = 2,3,7,8-tetramethoxythianthrene) couples were investigated by means of ESR line broadening experiments in different solvents at 293 K. The diffusion corrected rate constants cover a range of 7.2 × 10(8)≤ket≤ 44 × 10(8) M(-1) s(-1) for Th˙(+)/Th and 2.0 × 10(8)≤ket≤ 11.6 × 10(8) M(-1) s(-1) for MTh˙(+)/MTh, respectively. The results were analysed within the framework of the Marcus Theory and the characteristic reorganization energy, λ, was determined. Both couples clearly show a solvent dynamic effect controlled by the longitudinal relaxation time τL of the solvents. However, the influence of the structural changes, in terms of λ, was smaller than expected at room temperature.

  4. Exploring Low Internal Reorganization Energies for Silicene Nanoclusters

    Science.gov (United States)

    Pablo-Pedro, Ricardo; Lopez-Rios, Hector; Mendoza-Cortes, Jose-L.; Kong, Jing; Fomine, Serguei; Van Voorhis, Troy; Dresselhaus, Mildred S.

    2018-05-01

    This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. High-performance materials rely on small reorganization energies to facilitate both charge separation and charge transport. Here, we perform density-functional-theory calculations to predict small reorganization energies of rectangular silicene nanoclusters with hydrogen-passivated edges denoted by H-SiNC. We observe that across all geometries, H-SiNCs feature large electron affinities and highly stabilized anionic states, indicating their potential as n -type materials. Our findings suggest that fine-tuning the size of H-SiNCs along the "zigzag" and "armchair" directions may permit the design of novel n -type electronic materials and spintronics devices that incorporate both high electron affinities and very low internal reorganization energies.

  5. Exploring Low Internal Reorganization Energies for Silicene Nanoclusters

    KAUST Repository

    Pablo-Pedro, Ricardo

    2017-08-17

    High-performance materials rely on small reorganization energies to facilitate both charge separation and charge transport. Here, we performed DFT calculations to predict small reorganization energies of rectangular silicene nanoclusters with hydrogen-passivated edges denoted by H-SiNC. We observe that across all geometries, H-SiNCs feature large electron affinities and highly stabilized anionic states, indicating their potential as n-type materials. Our findings suggest that fine-tuning the size of H-SiNCs along the zigzag and armchair directions may permit the design of novel n-type electronic materials and spinctronics devices that incorporate both high electron affinities and very low internal reorganization energies.

  6. Designed azurins show lower reorganization free energies for intraprotein electron transfer

    DEFF Research Database (Denmark)

    Farver, Ole; Marshall, Nicholas M; Wherland, Scot

    2013-01-01

    Low reorganization free energies are necessary for fast electron transfer (ET) reactions. Hence, rational design of redox proteins with lower reorganization free energies has been a long-standing challenge, promising to yield a deeper understanding of the underlying principles of ET reactivity...

  7. Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamics.

    Science.gov (United States)

    Ren, Hai-Sheng; Ming, Mei-Jun; Ma, Jian-Yi; Li, Xiang-Yuan

    2013-08-22

    Within the framework of constrained density functional theory (CDFT), the diabatic or charge localized states of electron transfer (ET) have been constructed. Based on the diabatic states, inner reorganization energy λin has been directly calculated. For solvent reorganization energy λs, a novel and reasonable nonequilibrium solvation model is established by introducing a constrained equilibrium manipulation, and a new expression of λs has been formulated. It is found that λs is actually the cost of maintaining the residual polarization, which equilibrates with the extra electric field. On the basis of diabatic states constructed by CDFT, a numerical algorithm using the new formulations with the dielectric polarizable continuum model (D-PCM) has been implemented. As typical test cases, self-exchange ET reactions between tetracyanoethylene (TCNE) and tetrathiafulvalene (TTF) and their corresponding ionic radicals in acetonitrile are investigated. The calculated reorganization energies λ are 7293 cm(-1) for TCNE/TCNE(-) and 5939 cm(-1) for TTF/TTF(+) reactions, agreeing well with available experimental results of 7250 cm(-1) and 5810 cm(-1), respectively.

  8. Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors.

    Science.gov (United States)

    Geng, Hua; Niu, Yingli; Peng, Qian; Shuai, Zhigang; Coropceanu, Veaceslav; Brédas, Jean-Luc

    2011-09-14

    Chemical substitutions are powerful molecular design tools to enhance the performance of organic semiconductors, for instance, to improve solubility, intermolecular stacking, or film quality. However, at the microscopic level, substitutions in general tend to increase the molecular reorganization energy and thus decrease the intrinsic charge-carrier mobility. Through density functional theory calculations, we elucidate strategies that could be followed to reduce the reorganization energy upon chemical substitution. Specific examples are given here for hole-transport materials including indolo-carbazoles and several triarylamine derivatives. Through decomposition of the total reorganization energy into the internal coordinate space, we are able to identify the molecular segment that provides the most important contributions to the reorganization energy. It is found that when substitution reduces (enhances) the amplitude of the relevant frontier molecular orbital in that segment, the total reorganization energy decreases (increases). In particular, chlorination at appropriate positions can significantly reduce the reorganization energy. Several other substituents are shown to play a similar role, to a greater or lesser extent. © 2011 American Institute of Physics

  9. Photoelectron spectroscopy on the charge reorganization energy and small polaron binding energy of molecular film

    Energy Technology Data Exchange (ETDEWEB)

    Kera, Satoshi, E-mail: kera@ims.ac.jp [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan); Ueno, Nobuo [Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan)

    2015-10-01

    Understanding of electron-phonon coupling as well as intermolecular interaction is required to discuss the mobility of charge carrier in functional molecular solids. This article summarizes recent progress in direct measurements of valence hole-vibration coupling in ultrathin films of organic semiconductors by using ultraviolet photoelectron spectroscopy (UPS). The experimental study of hole-vibration coupling of the highest occupied molecular orbital (HOMO) state in ordered monolayer film by UPS is essential to comprehend hole-hopping transport and small-polaron related transport in organic semiconductors. Only careful measurements can attain the high-resolution spectra and provide key parameters in hole-transport dynamics, namely the charge reorganization energy and small polaron binding energy. Analyses methods of the UPS HOMO fine feature and resulting charge reorganization energy and small polaron binding energy are described for pentacene and perfluoropentacene films. Difference between thin-film and gas-phase results is discussed by using newly measured high-quality gas-phase spectra of pentacene. Methodology for achieving high-resolution UPS measurements for molecular films is also described.

  10. Large impact of reorganization energy on photovoltaic conversion due to interfacial charge-transfer transitions.

    Science.gov (United States)

    Fujisawa, Jun-ichi

    2015-05-14

    Interfacial charge-transfer (ICT) transitions are expected to be a novel charge-separation mechanism for efficient photovoltaic conversion featuring one-step charge separation without energy loss. Photovoltaic conversion due to ICT transitions has been investigated using several TiO2-organic hybrid materials that show organic-to-inorganic ICT transitions in the visible region. In applications of ICT transitions to photovoltaic conversion, there is a significant problem that rapid carrier recombination is caused by organic-inorganic electronic coupling that is necessary for the ICT transitions. In order to solve this problem, in this work, I have theoretically studied light-to-current conversions due to the ICT transitions on the basis of the Marcus theory with density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. An apparent correlation between the reported incident photon-to-current conversion efficiencies (IPCE) and calculated reorganization energies was clearly found, in which the IPCE increases with decreasing the reorganization energy consistent with the Marcus theory in the inverted region. This activation-energy dependence was systematically explained by the equation formulated by the Marcus theory based on a simple excited-state kinetic scheme. This result indicates that the reduction of the reorganization energy can suppress the carrier recombination and enhance the IPCE. The reorganization energy is predominantly governed by the structural change in the chemical-adsorption moiety between the ground and ICT excited states. This work provides crucial knowledge for efficient photovoltaic conversion due to ICT transitions.

  11. The energy industries reorganization in the economic globalization

    International Nuclear Information System (INIS)

    Amouroux, J.M.

    2003-01-01

    The author wonders on the energy supply evolution since thirty years and more specially the fossil fuels industries reconstruction. The energy panorama has been completely modified by a serial of processes which stopped the nuclear energy expansion and replaced the fossil fuels in the front of the energy scene. The processes are examined to evaluate the consequences of theses transformations on the model of economic development developed by the capitalism. (A.L.B)

  12. Congress moves to reorganize Department of Energy labs

    International Nuclear Information System (INIS)

    Hanson, D.J.

    1993-01-01

    Two bills that would transform the missions and practices of the Department of Energy's research laboratories are moving forward in both branches of Congress. Each of the two is crafted to improve cooperative research between DOE and private industry, but the House bill goes further by making fundamental changes in lab administration. H.R. 1432 provides a clear statement of purpose for the labs. The eight missions outlined in the bill are as follows: Enhance the nation's understanding of energy production and use, with a goal of reducing reliance on imported sources of fuels; Advance nuclear science and technology for national security purposes; Assist with dismantlement of nuclear weapons and work to curb nuclear arms proliferation; Conduct fundamental research in energy-related science and technology; Assist in development of technologies for disposal of hazardous wastes, particularly nuclear waste; Work with private industry to develop generic green technologies; Conduct technology-transfer activities; and Work to improve the quality of science, math, and engineering education in the U.S

  13. Reorganization at Oryx Energy focuses on teamwork, technology

    International Nuclear Information System (INIS)

    Box, J.W.

    1993-01-01

    As one of the largest independent oil and gas companies in the world, Oryx Energy Co. has become a strong international player, In an increasingly global business, they are competing with some very tough international companies. This competition calls for their continued focus on technology and innovative ways of conducting business, not only on the international scene but also in the U.S. Here the author focuses on ways his company is approaching U.S. activities, both onshore and in the Gulf of Mexico

  14. Reorganization energy upon charging a single molecule on an insulator measured by atomic force microscopy

    Science.gov (United States)

    Fatayer, Shadi; Schuler, Bruno; Steurer, Wolfram; Scivetti, Ivan; Repp, Jascha; Gross, Leo; Persson, Mats; Meyer, Gerhard

    2018-05-01

    Intermolecular single-electron transfer on electrically insulating films is a key process in molecular electronics1-4 and an important example of a redox reaction5,6. Electron-transfer rates in molecular systems depend on a few fundamental parameters, such as interadsorbate distance, temperature and, in particular, the Marcus reorganization energy7. This crucial parameter is the energy gain that results from the distortion of the equilibrium nuclear geometry in the molecule and its environment on charging8,9. The substrate, especially ionic films10, can have an important influence on the reorganization energy11,12. Reorganization energies are measured in electrochemistry13 as well as with optical14,15 and photoemission spectroscopies16,17, but not at the single-molecule limit and nor on insulating surfaces. Atomic force microscopy (AFM), with single-charge sensitivity18-22, atomic-scale spatial resolution20 and operable on insulating films, overcomes these challenges. Here, we investigate redox reactions of single naphthalocyanine (NPc) molecules on multilayered NaCl films. Employing the atomic force microscope as an ultralow current meter allows us to measure the differential conductance related to transitions between two charge states in both directions. Thereby, the reorganization energy of NPc on NaCl is determined as (0.8 ± 0.2) eV, and density functional theory (DFT) calculations provide the atomistic picture of the nuclear relaxations on charging. Our approach presents a route to perform tunnelling spectroscopy of single adsorbates on insulating substrates and provides insight into single-electron intermolecular transport.

  15. Reorganization of the Ministries and Agencies and future nuclear energy policy in Japan

    International Nuclear Information System (INIS)

    Kitagishi, Tatsuro; Suzuki, Tatsujiro; Enomoto, Toshiaki; Kawase, Kazuharu; Izuriha, Isao; Shimohirao, Isao; Sakurai, Jun

    2001-01-01

    Japanese governmental Ministries and Agencies were reorganized to a system of one Cabinet Office and twelve Ministries and Agencies on January 6, 2001, by reformation after an interval of about a half of century. Together with this reformation, for an organization executing nuclear energy administration, the Cabinet Office, the Ministry of Education Culture, Sports, Science and Technology, and the Ministry of Economy, Trade and Industry (METI) started. Especially, at the METI, the 'Nuclear Energy Safety and Security Agency' was newly established to unitarity manage safety regulation of the nuclear energy facilities, to enforce system to upgrading of their safety Here were introduced on every content of the organization in the nuclear energy administration, to follow its future subjects under some items on new system and its development, new organization play in liberalization market, expectation to nuclear energy administration at the new system, question on national nuclear safety countermeasure from a standpoint of landing site, stable supply system of electric power, and expectation to suitable safety regulation to secure safety of old nuclear facilities. (G.K.)

  16. Alternative Forms of Energy Production and Political Reconfigurations: The Sociology of Alternative Energies as a Study of Collective Reorganization Potential

    International Nuclear Information System (INIS)

    Rumpala, Yannick

    2013-01-01

    Energy choices that are made in a society are also political choices. This article aims to study the extent to which these choices can be reoriented by technological developments related to renewable energies, thus contributing to a redistribution of possibilities and to social reorganization. Three steps are proposed to show that while the development of alternative energies depends on technological advances, it can, in this process, also reveal political potentials: 1) the first step clarifies the theoretical arguments that can be deployed in favour of an approach in terms of 'technological potentialism'; 2) the second step extends this approach by identifying a set of potentials linked to renewable energies and the model that could take shape through these alternative forms; 3) the third step examines how these potentials could find ways of being updated

  17. Effect of the methionine ligand on the reorganization energy of the type-1 copper site of nitrite Reductase

    DEFF Research Database (Denmark)

    Farver, Ole; Wijma, Hein J.; MacPherson, Iain

    2007-01-01

    Copper-containing nitrite reductase harbors a type-1 and a type-2 Cu site. The former acts as the electron acceptor site of the enzyme, and the latter is the site of catalytic action. The effect of the methionine ligand on the reorganization energy of the type-1 site was explored by studying...

  18. Energy efficient solvent regeneration process for carbon dioxide capture

    Science.gov (United States)

    Zhou, Shaojun; Meyer, Howard S.; Li, Shiguang

    2018-02-27

    A process for removing carbon dioxide from a carbon dioxide-loaded solvent uses two stages of flash apparatus. Carbon dioxide is flashed from the solvent at a higher temperature and pressure in the first stage, and a lower temperature and pressure in the second stage, and is fed to a multi-stage compression train for high pressure liquefaction. Because some of the carbon dioxide fed to the compression train is already under pressure, less energy is required to further compress the carbon dioxide to a liquid state, compared to conventional processes.

  19. Probing the electronic structure of redox species and direct determination of intrinsic reorganization energies of electron transfer reactions

    International Nuclear Information System (INIS)

    Wang, Xue-Bin; Wang, Lai-Sheng

    2000-01-01

    An experimental technique capable of directly determining the intrinsic reorganization energies of bimolecular electron transfer reactions is described. Appropriate solution phase redox species are prepared in the gas phase using electrospray ionization and probed using photodetachment spectroscopy. Five metal complex anions involved in the Fe 2+ -Fe 3+ redox couple are investigated and the intramolecular reorganization energies are measured directly from spectral features due to removing the most loosely bound 3d electron from the Fe(II)-complexes. The photodetachment spectra also yield electronic structure information about the Fe 2+ -Fe 3+ redox couple and provide a common electronic structure origin for the reducing capability of the Fe(II)-complexes, the most common redox reagents. (c) 2000 American Institute of Physics

  20. Importance of the Reorganization Energy Barrier in Computational Design of Porphyrin-Based Solar Cells with Cobalt-Based Redox Mediators

    DEFF Research Database (Denmark)

    Ørnsø, Kristian Baruël; Jónsson, Elvar Örn; Jacobsen, Karsten Wedel

    2015-01-01

    , and this limits the achievable efficiency. Here we show that the large driving force is a direct consequence of the large reorganization energy of the dye regeneration reaction. The reorganization energies for charge transfer between a simple zinc porphyrin dye and two popular cobalt-based redox mediators......The shift from iodide-based redox mediators in dye-sensitized solar cells toward octahedral cobalt complexes has led to a significant increase in the efficiency. However, due to the nature of this type of complexes the driving force required for the regeneration of the dye is very high...... to identify already known highperformance dyes in addition to a number of even better candidates. Our analysis shows that the large internal reorganization energy of the Co-based redox mediators is an obstacle for achieving higher efficiencies....

  1. Solvent-assisted multistage nonequilibrium electron transfer in rigid supramolecular systems: Diabatic free energy surfaces and algorithms for numerical simulations

    Science.gov (United States)

    Feskov, Serguei V.; Ivanov, Anatoly I.

    2018-03-01

    An approach to the construction of diabatic free energy surfaces (FESs) for ultrafast electron transfer (ET) in a supramolecule with an arbitrary number of electron localization centers (redox sites) is developed, supposing that the reorganization energies for the charge transfers and shifts between all these centers are known. Dimensionality of the coordinate space required for the description of multistage ET in this supramolecular system is shown to be equal to N - 1, where N is the number of the molecular centers involved in the reaction. The proposed algorithm of FES construction employs metric properties of the coordinate space, namely, relation between the solvent reorganization energy and the distance between the two FES minima. In this space, the ET reaction coordinate zn n' associated with electron transfer between the nth and n'th centers is calculated through the projection to the direction, connecting the FES minima. The energy-gap reaction coordinates zn n' corresponding to different ET processes are not in general orthogonal so that ET between two molecular centers can create nonequilibrium distribution, not only along its own reaction coordinate but along other reaction coordinates too. This results in the influence of the preceding ET steps on the kinetics of the ensuing ET. It is important for the ensuing reaction to be ultrafast to proceed in parallel with relaxation along the ET reaction coordinates. Efficient algorithms for numerical simulation of multistage ET within the stochastic point-transition model are developed. The algorithms are based on the Brownian simulation technique with the recrossing-event detection procedure. The main advantages of the numerical method are (i) its computational complexity is linear with respect to the number of electronic states involved and (ii) calculations can be naturally parallelized up to the level of individual trajectories. The efficiency of the proposed approach is demonstrated for a model

  2. Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies.

    Science.gov (United States)

    Deng, Nanjie; Zhang, Bin W; Levy, Ronald M

    2015-06-09

    The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ∼3 kcal/mol at only ∼8% of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the implicit/explicit thermodynamic cycle.

  3. The Role of Solvent Reorganization Dynamics in Electron-Transfer Processes. Theory-Experiment Comparisons for Electrochemical and Homogeneous Electron Exchange Involving Metallocene Redox Couples

    Science.gov (United States)

    1985-08-01

    Kodak) by crystallization from acetone; it was recrystallized twice from ethanol and dried in a vacuum oven. Tetraethylamonium perchlorate (TEAP) (G...the electrooxidation of in(Cp’) 2 , which yielded significantly smaller reverse (cathodic) currents in the most strongly coordinating solvents (DMX...DM50) at slower scan rates (< 0.5 V sec-1). Nevertheless, satisfactory a.c. polarograms were obtained for each of these system=. 5 4 Temperature

  4. Drilling reorganizes

    Science.gov (United States)

    Richman, Barbara T.

    As the first in a proposed series of steps that would move scientific ocean drilling from its own niche within the National Science Foundation's (NSF) Directorate for Astronomical, Atmospheric, Earth, and Ocean Sciences (AAEO) into the agency's Division of Ocean Sciences, Grant Gross, division director, has been appointed acting director of the Office of Scientific Ocean Drilling (OSOD). Gross will retain the directorship of the division, which also is part of AAEO. Allen M. Shinn, Jr., OSOD director for nearly 2 years, has been reassigned effective July 10 to a position in NSF's Office of Planning and Resource Management.The move aims to tie drilling operations more closely to the science with which it is associated, Gross said. This first step is an organizational response to the current leaning toward using a commercial drilling vessel as the drilling platform, he said. Before the market for such commercial drill ships opened (Eos, February 22, 1983, p . 73), other ship options for scientific ocean drilling included refurbishing the aging Glomar Challenger or renovating, at great expense, the Glomar Explorer. A possible next step in the reorganization is to make OSOD the third section within the Ocean Sciences Division. Currently, the division is divided into the Oceanographic Facilities and Support Section and the Ocean Sciences Research Section.

  5. Nuclear reorganization barriers to electron transfer

    International Nuclear Information System (INIS)

    Sutin, N.; Brunschwig, B.S.; Creutz, C.; Winkler, J.R.

    1988-01-01

    The nuclear barrier to electron transfer arises from the need for reorganization of intramolecular and solvent internuclear distances prior to electron transfer. For reactions with relatively small driving force (''normal'' free-energy region) the nuclear factors and rates increase as intrinsic inner-shell and outer-shell barriers decrease; this is illustrated by data for transition metal complexes in their ground electronic states. By contrast, in the inverted free-energy region, rates and nuclear factors decrease with decreasing ''intrinsic'' barriers; this is illustrated by data for the decay of charge-transfer excited states. Several approaches to the evaluation of the outer-shell barrier are explored in an investigation of the distance dependence of the nuclear factor in intramolecular electron-transfer processes. 39 refs., 14 figs., 3 tabs

  6. Variation of energy absorption buildup factors with incident photon energy and penetration depth for some commonly used solvents

    International Nuclear Information System (INIS)

    Singh, Parjit S.; Singh, Tejbir; Kaur, Paramjeet

    2008-01-01

    G.P. fitting method has been used to compute energy absorption buildup factor of some commonly used solvents such as acetonitrile (C 4 H 3 N), butanol (C 4 H 9 OH), chlorobenzene (C 6 H 5 Cl), diethyl ether (C 4 H 10 O), ethanol (C 2 H 5 OH), methanol (CH 3 OH), propanol (C 3 H 7 OH) and water (H 2 O) for the wide energy range (0.015-15.0 MeV) up to the penetration depth of 10 mean free path. The variation of energy absorption buildup factor with chemical composition as well as incident photon energy for the selected solvents has been studied. It has been observed that the maximum value of energy absorption buildup factors shifts to the slightly higher incident photon energy with the increase in equivalent atomic number of the solvent and the solvent with least equivalent atomic number possesses the maximum value of energy absorption buildup factor

  7. Solvent effects in ionic liquids: empirical linear energy-density relationships.

    Science.gov (United States)

    Cerda-Monje, A; Aizman, A; Tapia, R A; Chiappe, C; Contreras, R

    2012-07-28

    Multiparameter linear energy-density relationships to model solvent effects in room temperature ionic liquids (RTILs) are introduced and tested. The model incorporates two solvent dependent and two specific solute-solvent parameters represented by a set of electronic indexes derived from the conceptual density functional theory. The specific solute-solvent interactions are described in terms of the electronic chemical potential for proton migration between the anion or cation and the transition state structure of a specific reaction. These indexes provide a quantitative estimation of the hydrogen bond (HB) acceptor basicity and the hydrogen bond donor acidity of the ionic solvent, respectively. A sound quantitative scale of HB strength is thereby obtained. The solvent dependent contributions are described by the global electrophilicity of the cation and nucleophilicity of the anion forming the ionic liquid. The model is illustrated for the kinetics of cycloaddition of cyclopentadiene towards acrolein. In general, cation HB acidity outweighs the remaining parameters for this reaction.

  8. Solvent density inhomogeneities and solvation free energies in supercritical diatomic fluids: a density functional approach.

    Science.gov (United States)

    Husowitz, B; Talanquer, V

    2007-02-07

    Density functional theory is used to explore the solvation properties of a spherical solute immersed in a supercritical diatomic fluid. The solute is modeled as a hard core Yukawa particle surrounded by a diatomic Lennard-Jones fluid represented by two fused tangent spheres using an interaction site approximation. The authors' approach is particularly suitable for thoroughly exploring the effect of different interaction parameters, such as solute-solvent interaction strength and range, solvent-solvent long-range interactions, and particle size, on the local solvent structure and the solvation free energy under supercritical conditions. Their results indicate that the behavior of the local coordination number in homonuclear diatomic fluids follows trends similar to those reported in previous studies for monatomic fluids. The local density augmentation is particularly sensitive to changes in solute size and is affected to a lesser degree by variations in the solute-solvent interaction strength and range. The associated solvation free energies exhibit a nonmonotonous behavior as a function of density for systems with weak solute-solvent interactions. The authors' results suggest that solute-solvent interaction anisotropies have a major influence on the nature and extent of local solvent density inhomogeneities and on the value of the solvation free energies in supercritical solutions of heteronuclear molecules.

  9. Free Energy, Enthalpy and Entropy from Implicit Solvent End-Point Simulations.

    Science.gov (United States)

    Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro

    2018-01-01

    Free energy is the key quantity to describe the thermodynamics of biological systems. In this perspective we consider the calculation of free energy, enthalpy and entropy from end-point molecular dynamics simulations. Since the enthalpy may be calculated as the ensemble average over equilibrated simulation snapshots the difficulties related to free energy calculation are ultimately related to the calculation of the entropy of the system and in particular of the solvent entropy. In the last two decades implicit solvent models have been used to circumvent the problem and to take into account solvent entropy implicitly in the solvation terms. More recently outstanding advancement in both implicit solvent models and in entropy calculations are making the goal of free energy estimation from end-point simulations more feasible than ever before. We review briefly the basic theory and discuss the advancements in light of practical applications.

  10. Free Energy, Enthalpy and Entropy from Implicit Solvent End-Point Simulations

    Directory of Open Access Journals (Sweden)

    Federico Fogolari

    2018-02-01

    Full Text Available Free energy is the key quantity to describe the thermodynamics of biological systems. In this perspective we consider the calculation of free energy, enthalpy and entropy from end-point molecular dynamics simulations. Since the enthalpy may be calculated as the ensemble average over equilibrated simulation snapshots the difficulties related to free energy calculation are ultimately related to the calculation of the entropy of the system and in particular of the solvent entropy. In the last two decades implicit solvent models have been used to circumvent the problem and to take into account solvent entropy implicitly in the solvation terms. More recently outstanding advancement in both implicit solvent models and in entropy calculations are making the goal of free energy estimation from end-point simulations more feasible than ever before. We review briefly the basic theory and discuss the advancements in light of practical applications.

  11. The RWE combine - notes on its reorganization and Energy-Department-to-RWE-Energie-AG re-formation

    International Nuclear Information System (INIS)

    1990-01-01

    As the holding in charge of the combine, RWE AG soon will be managing legally self-sufficient controlling companies at its own responsibility. While the Energy Department (electric power, gas, heat, water) will be re-formed to become RWE Energie AG, the newly established RWE Entsorgung AG will be responsible for waste disposal and waste management. (DG) [de

  12. Variation of energy absorption buildup factors with incident photon energy and penetration depth for some commonly used solvents

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Parjit S. [Department of Physics, Punjabi University, Patiala 147 002 (India)], E-mail: dr_parjit@hotmail.com; Singh, Tejbir [Department of Physics, Lovely Professional University, Phagwara 144 402 (India); Kaur, Paramjeet [IAS and Allied Services Training Centre, Punjabi University, Patiala 147 002 (India)

    2008-06-15

    G.P. fitting method has been used to compute energy absorption buildup factor of some commonly used solvents such as acetonitrile (C{sub 4}H{sub 3}N), butanol (C{sub 4}H{sub 9}OH), chlorobenzene (C{sub 6}H{sub 5}Cl), diethyl ether (C{sub 4}H{sub 10}O), ethanol (C{sub 2}H{sub 5}OH), methanol (CH{sub 3}OH), propanol (C{sub 3}H{sub 7}OH) and water (H{sub 2}O) for the wide energy range (0.015-15.0 MeV) up to the penetration depth of 10 mean free path. The variation of energy absorption buildup factor with chemical composition as well as incident photon energy for the selected solvents has been studied. It has been observed that the maximum value of energy absorption buildup factors shifts to the slightly higher incident photon energy with the increase in equivalent atomic number of the solvent and the solvent with least equivalent atomic number possesses the maximum value of energy absorption buildup factor.

  13. Liquefaction behaviors of bamboo residues in a glycerol-based solvent using microwave energy

    Science.gov (United States)

    Jiulong Xie; Chung-Yun Hse; Todd F. Shupe; Jinqiu Qi; Hui Pan

    2014-01-01

    Liquefaction of bamboo was performed in glycerol–methanol as co-solvent using microwave energy and was evaluated by characterizing the liquefied residues. High efficiency conversion of bamboo was achieved under mild reaction conditions. Liquefaction temperature and time interacted to affect the liquefaction reaction. Fourier transform infrared analyzes of the residues...

  14. Opportunities for switchable solvents for lipid extraction from wet algal biomass: an energy evaluation

    NARCIS (Netherlands)

    Du, Ying; Schuur, Boelo; Kersten, Sascha R.A.; Brilman, Derk Willem Frederik

    2015-01-01

    Algae are considered an important sustainable feedstock for lipid extraction to produce food ingredients, cosmetics, pharmaceutical products and biofuels. Next to the costs for cultivation, this route is especially hindered by the energy intensity of drying algae prior to extraction and solvent

  15. Final Report - Energy Reduction and Advanced Water Removal via Membrane Solvent Extraction Technology

    Energy Technology Data Exchange (ETDEWEB)

    Reed, John; Fanselow, Dan; Abbas, Charles; Sammons, Rhea; Kinchin, Christopher

    2014-08-06

    3M and Archer Daniels Midland (ADM) collaborated with the U.S. Department of Energy (DOE) to develop and demonstrate a novel membrane solvent extraction (MSE) process that can substantially reduce energy and water consumption in ethanol production, and accelerate the fermentation process. A cross-flow membrane module was developed, using porous membrane manufactured by 3M. A pilot process was developed that integrates fermentation, MSE and vacuum distillation. Extended experiments of 48-72 hours each were conducted to develop the process, verify its performance and begin establishing commercial viability.

  16. High linear energy transfer degradation studies simulating alpha radiolysis of TRU solvent extraction processes

    Energy Technology Data Exchange (ETDEWEB)

    Pearson, Jeremy [Department of Chemical Engineering and Materials Science - University of California Irvine, 916 Engineering Tower, Irvine, CA, 92697 (United States); Miller, George [Department of Chemistry- University of California Irvine, 2046D PS II, Irvine, CA, 92697 (United States); Nilsson, Mikael [Department of Chemical Engineering and Materials Science - University of California Irvine, 916 Engineering Tower, Irvine, CA, 92697 (United States)

    2013-07-01

    Treatment of used nuclear fuel through solvent extraction separation processes is hindered by radiolytic damage from radioactive isotopes present in used fuel. The nature of the damage caused by the radiation may depend on the radiation type, whether it be low linear energy transfer (LET) such as gamma radiation or high LET such as alpha radiation. Used nuclear fuel contains beta/gamma emitting isotopes but also a significant amount of transuranics which are generally alpha emitters. Studying the respective effects on matter of both of these types of radiation will allow for accurate prediction and modeling of process performance losses with respect to dose. Current studies show that alpha radiation has milder effects than that of gamma. This is important to know because it will mean that solvent extraction solutions exposed to alpha radiation may last longer than expected and need less repair and replacement. These models are important for creating robust, predictable, and economical processes that have strong potential for mainstream adoption on the commercial level. The effects of gamma radiation on solvent extraction ligands have been more extensively studied than the effects of alpha radiation. This is due to the inherent difficulty in producing a sufficient and confluent dose of alpha particles within a sample without leaving the sample contaminated with long lived radioactive isotopes. Helium ion beam and radioactive isotope sources have been studied in the literature. We have developed a method for studying the effects of high LET radiation in situ via {sup 10}B activation and the high LET particles that result from the {sup 10}B(n,a){sup 7}Li reaction which follows. Our model for dose involves solving a partial differential equation representing absorption by 10B of an isentropic field of neutrons penetrating a sample. This method has been applied to organic solutions of TBP and CMPO, two ligands common in TRU solvent extraction treatment processes. Rates

  17. How will the largest energy consumers influence the reorganization and will they be affected by the changes?

    International Nuclear Information System (INIS)

    de Kiewit, F.; Bergeron, S.

    1997-01-01

    The mandate of the Natural Gas Industrial Consumers Association (NGICA), which represents the interests of industrial natural gas consumers in matters of transport and distribution of natural gas in Canada, was described. The NGICA supports the decision of the provincial government to create an energy commission, replacing the existing Natural Gas Commission. Even though natural gas marketing in Canada has been deregulated since 1985, consumers of natural gas in Quebec have had until now less choice in suppliers than Ontario consumers. It is the Association's view that the competition in a free market, within the limits of natural monopolies, provides the best guarantee of reasonable prices and conditions of supply of all forms of energy

  18. Continuum model of non-equilibrium solvation and solvent effect on ultra-fast processes

    International Nuclear Information System (INIS)

    Li Xiangyuan; Fu Kexiang; Zhu Quan

    2006-01-01

    In the past 50 years, non-equilibrium solvation theory for ultra-fast processes such as electron transfer and light absorption/emission has attracted particular interest. A great deal of research efforts was made in this area and various models which give reasonable qualitative descriptions for such as solvent reorganization energy in electron transfer and spectral shift in solution, were developed within the framework of continuous medium theory. In a series of publications by the authors, we clarified that the expression of the non-equilibrium electrostatic free energy that is at the dominant position of non-equilibrium solvation and serves as the basis of various models, however, was incorrectly formulated. In this work, the authors argue that reversible charging work integration was inappropriately applied in the past to an irreversible path linking the equilibrium or the non-equilibrium state. Because the step from the equilibrium state to the nonequilibrium state is factually thermodynamically irreversible, the conventional expression for non-equilibrium free energy that was deduced in different ways is unreasonable. Here the authors derive the non-equilibrium free energy to a quite different form according to Jackson integral formula. Such a difference throws doubts to the models including the famous Marcus two-sphere model for solvent reorganization energy of electron transfer and the Lippert-Mataga equation for spectral shift. By introducing the concept of 'spring energy' arising from medium polarizations, the energy constitution of the non-equilibrium state is highlighted. For a solute-solvent system, the authors separate the total electrostatic energy into different components: the self-energies of solute charge and polarized charge, the interaction energy between them and the 'spring energy' of the solvent polarization. With detailed reasoning and derivation, our formula for non-equilibrium free energy can be reached through different ways. Based on the

  19. Estimate of electrostatic solvation free energy of electron in various polar solvents by using modified born equation

    International Nuclear Information System (INIS)

    Yamashita, Kazuo; Kitamura, Mitsutaka; Imai, Hideo

    1976-01-01

    The modified Born equation was tentatively applied to estimate the electrostatic free energies of solvation of the electron in various polar solvents. The related data of halide ions and a datum of the hydration free energy of the electron obtained by radiation chemical studies were used for the numerical calculations. (auth.)

  20. "Solvent-in-salt" systems for design of new materials in chemistry, biology and energy research.

    Science.gov (United States)

    Azov, Vladimir A; Egorova, Ksenia S; Seitkalieva, Marina M; Kashin, Alexey S; Ananikov, Valentine P

    2018-02-21

    Inorganic and organic "solvent-in-salt" (SIS) systems have been known for decades but have attracted significant attention only recently. Molten salt hydrates/solvates have been successfully employed as non-flammable, benign electrolytes in rechargeable lithium-ion batteries leading to a revolution in battery development and design. SIS with organic components (for example, ionic liquids containing small amounts of water) demonstrate remarkable thermal stability and tunability, and present a class of admittedly safer electrolytes, in comparison with traditional organic solvents. Water molecules tend to form nano- and microstructures (droplets and channel networks) in ionic media impacting their heterogeneity. Such microscale domains can be employed as microreactors for chemical and enzymatic synthesis. In this review, we address known SIS systems and discuss their composition, structure, properties and dynamics. Special attention is paid to the current and potential applications of inorganic and organic SIS systems in energy research, chemistry and biochemistry. A separate section of this review is dedicated to experimental methods of SIS investigation, which is crucial for the development of this field.

  1. Computational scheme for pH-dependent binding free energy calculation with explicit solvent.

    Science.gov (United States)

    Lee, Juyong; Miller, Benjamin T; Brooks, Bernard R

    2016-01-01

    We present a computational scheme to compute the pH-dependence of binding free energy with explicit solvent. Despite the importance of pH, the effect of pH has been generally neglected in binding free energy calculations because of a lack of accurate methods to model it. To address this limitation, we use a constant-pH methodology to obtain a true ensemble of multiple protonation states of a titratable system at a given pH and analyze the ensemble using the Bennett acceptance ratio (BAR) method. The constant pH method is based on the combination of enveloping distribution sampling (EDS) with the Hamiltonian replica exchange method (HREM), which yields an accurate semi-grand canonical ensemble of a titratable system. By considering the free energy change of constraining multiple protonation states to a single state or releasing a single protonation state to multiple states, the pH dependent binding free energy profile can be obtained. We perform benchmark simulations of a host-guest system: cucurbit[7]uril (CB[7]) and benzimidazole (BZ). BZ experiences a large pKa shift upon complex formation. The pH-dependent binding free energy profiles of the benchmark system are obtained with three different long-range interaction calculation schemes: a cutoff, the particle mesh Ewald (PME), and the isotropic periodic sum (IPS) method. Our scheme captures the pH-dependent behavior of binding free energy successfully. Absolute binding free energy values obtained with the PME and IPS methods are consistent, while cutoff method results are off by 2 kcal mol(-1) . We also discuss the characteristics of three long-range interaction calculation methods for constant-pH simulations. © 2015 The Protein Society.

  2. Micro-Encapsulation of non-aqueous solvents for energy-efficient carbon capture

    Energy Technology Data Exchange (ETDEWEB)

    Stolaroff, Joshua K; Ye, Congwang; Oakdale, James [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Baker, Sarah; Nugyen, Du; Smith, William; Aines, Roger

    2016-11-14

    Here, we demonstrate micro-encapsulation of several promising designer solvents: an IL, PCIL, and CO2BOL. We develop custom polymers that cure by UV light in the presence of each solvent while maintaining high CO2 permeability. We use several new process strategies to accommodate the viscosity and phase changes. We then measure and compare the CO2 absorption rate and capacity as well as the multi-cycle performance of the encapsulated solvents. These results are compared with previous work on encapsulated sodium carbonate solution. The prospects for designer solvents to reduce the cost of post-combustion capture and the implications for process design with encapsulated solvents are discussed.

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

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  4. Advanced Low Energy Enzyme Catalyzed Solvent for CO2 Capture

    Energy Technology Data Exchange (ETDEWEB)

    Zaks, Alex [Akermin Inc., St. Louis, MO (United States); Reardon, John [Akermin Inc., St. Louis, MO (United States)

    2013-09-30

    A proof-of-concept biocatalyst enhanced solvent process was developed and demonstrated in an integrated bench-scale system using coal post combustion flue gas. The biocatalyst was deployed as a coating on M500X structured packing. Rate enhancement was evaluated using a non-volatile and non-toxic 20 wt% potassium carbonate solution. Greater than 500-fold volumetric scale-up from laboratory to bench scale was demonstrated in this project. Key technical achievements included: 10-fold mass transfer enhancement demonstrated in laboratory testing relative to blank potassium carbonate at 45°C; ~ 7-fold enhancement over blank in bench-scale field testing at National Carbon Capture Center; aerosol emissions were below detection limits (< 0.8 ppm); 90% capture was demonstrated at ~19.5 Nm3/hr (dry basis); and ~ 80% CO2 capture was demonstrated at ~ 30 Nm3/hr (dry basis) for more than 2800-hrs on flue gas with minimal detectible decline in activity. The regeneration energy requirement was 3.5 GJ/t CO2 for this solvent, which was below the target of <2.1 GJ/t CO2. Bench unit testing revealed kinetic limitations in the un-catalyzed stripper at around 85°C, but process modeling based on bench unit data showed that equivalent work of less than 300 kWh/t CO2 including all CO2 compression can be achieved at lower temperature stripping conditions. Cost analysis showed that 20% potassium carbonate in a basic solvent flow sheet with biocatalyst coated packing has economic performance comparable to the reference NETL Case-12, 30% MEA. A detailed techno-economic analysis indicated that addition of catalyst in the stripper could reduce the cost of capture by ~6% and cost of avoided CO2 by ~10% below reference NETL Case-12. Based on these results, a directional plan was identified to reduce the cost of CO2 capture in future work.

  5. Amine Solvent Regeneration for CO2 Capture Using Geothermal Energy with Advanced Stripper Configurations

    International Nuclear Information System (INIS)

    Van Wagener, D.H.; Rochelle, G.T.; Gupta, A.; Bryant, S.L.

    2014-01-01

    Absorption/stripping using alkanol-amine solvents for removing CO 2 from the flue gas of coal-fired power plants requires a substantial amount of energy. Typical designs anticipate the use of steam extraction between the Intermediate Pressure (IP) and Low Pressure (LP) turbines to provide heat for the re-boiler. Geothermal energy in the form of hot brine offers an alternative to this large parasitic load on the power generation cycle. We investigate the requirements (number and spacing of extraction/injection well pairs) to provide heat at 150 deg. C for a pilot scale (60 MWe) and a full scale (900 MWe) capture process for thirty years. The calculations are based on properties of a geopressured/geothermal aquifer near the Texas Gulf Coast. In the vicinity of a large coal-fired power plant in South Texas, this aquifer lies between 3 050 and 3 350 m (10 000 and 11 000 ft) below the surface. We present a novel design of the stripper/regenerator process based on heat exchange with the brine, discharging the brine at 100 deg. C. The results indicate that the overall process is feasible and that costs are of similar magnitude to standard designs. (authors)

  6. The energy industries reorganization in the economic globalization; La restructuration des industries de l'energie dans la mondialisation economique

    Energy Technology Data Exchange (ETDEWEB)

    Amouroux, J.M

    2003-07-01

    The author wonders on the energy supply evolution since thirty years and more specially the fossil fuels industries reconstruction. The energy panorama has been completely modified by a serial of processes which stopped the nuclear energy expansion and replaced the fossil fuels in the front of the energy scene. The processes are examined to evaluate the consequences of theses transformations on the model of economic development developed by the capitalism. (A.L.B)

  7. Optimal design of advanced distillation configuration for enhanced energy efficiency of waste solvent recovery process in semiconductor industry

    International Nuclear Information System (INIS)

    Chaniago, Yus Donald; Minh, Le Quang; Khan, Mohd Shariq; Koo, Kee-Kahb; Bahadori, Alireza; Lee, Moonyong

    2015-01-01

    Highlights: • Thermally coupled distillation process is proposed for waste solvent recovery. • A systematic optimization procedure is used to optimize distillation columns. • Response surface methodology is applied to optimal design of distillation column. • Proposed advanced distillation allows energy efficient waste solvent recovery. - Abstract: The semiconductor industry is one of the largest industries in the world. On the other hand, the huge amount of solvent used in the industry results in high production cost and potential environmental damage because most of the valuable chemicals discharged from the process are incinerated at high temperatures. A distillation process is used to recover waste solvent, reduce the production-related costs and protect the environment from the semiconductor industrial waste. Therefore, in this study, a distillation process was used to recover the valuable chemicals from semiconductor industry discharge, which otherwise would have been lost to the environment. The conventional sequence of distillation columns, which was optimized using the Box and sequential quadratic programming method for minimum energy objectives, was used. The energy demands of a distillation problem may have a substantial influence on the profitability of a process. A thermally coupled distillation and heat pump-assisted distillation sequence was implemented to further improve the distillation performance. Finally, a comparison was made between the conventional and advanced distillation sequences, and the optimal conditions for enhancing recovery were determined. The proposed advanced distillation configuration achieved a significant energy saving of 40.5% compared to the conventional column sequence

  8. Introducing a standard method for experimental determination of the solvent response in laser pump, x-ray probe time-resolved wide-angle x-ray scattering experiments on systems in solution

    DEFF Research Database (Denmark)

    Kjær, Kasper Skov; Brandt van Driel, Tim; Kehres, Jan

    2013-01-01

    In time-resolved laser pump, X-ray probe wide-angle X-ray scattering experiments on systems in solution the structural response of the system is accompanied by a solvent response. The solvent response is caused by reorganization of the bulk solvent following the laser pump event, and in order...... response-the solvent term-experimentally when applying laser pump, X-ray probe time-resolved wide-angle X-ray scattering. The solvent term describes difference scattering arising from the structural response of the solvent to changes in the hydrodynamic parameters: pressure, temperature and density. We...... is demonstrated to exhibit first order behaviour with respect to the amount of energy deposited in the solution. We introduce a standardized method for recording solvent responses in laser pump, X-ray probe time-resolved X-ray wide-angle scattering experiments by using dye mediated solvent heating. Furthermore...

  9. The effect of solvent relaxation time constants on free energy gap law for ultrafast charge recombination following photoinduced charge separation.

    Science.gov (United States)

    Mikhailova, Valentina A; Malykhin, Roman E; Ivanov, Anatoly I

    2018-05-16

    To elucidate the regularities inherent in the kinetics of ultrafast charge recombination following photoinduced charge separation in donor-acceptor dyads in solutions, the simulations of the kinetics have been performed within the stochastic multichannel point-transition model. Increasing the solvent relaxation time scales has been shown to strongly vary the dependence of the charge recombination rate constant on the free energy gap. In slow relaxing solvents the non-equilibrium charge recombination occurring in parallel with solvent relaxation is very effective so that the charge recombination terminates at the non-equilibrium stage. This results in a crucial difference between the free energy gap laws for the ultrafast charge recombination and the thermal charge transfer. For the thermal reactions the well-known Marcus bell-shaped dependence of the rate constant on the free energy gap is realized while for the ultrafast charge recombination only a descending branch is predicted in the whole area of the free energy gap exceeding 0.2 eV. From the available experimental data on the population kinetics of the second and first excited states for a series of Zn-porphyrin-imide dyads in toluene and tetrahydrofuran solutions, an effective rate constant of the charge recombination into the first excited state has been calculated. The obtained rate constant being very high is nearly invariable in the area of the charge recombination free energy gap from 0.2 to 0.6 eV that supports the theoretical prediction.

  10. Territorialization of energy policies in the Franco-Valdo-Genevan urban area: energy planning as a tool for reorganizing border areas?

    International Nuclear Information System (INIS)

    Lavallez, Catherine

    2015-01-01

    In France as in Switzerland, local authorities stand out as leading players of energy transition, a transition that requires an important renewal of public intervention instruments. It is the stakes and the conditions of such a renewal that the present work aims to examine, based on the experiments of territorial energy planning led on the Franco-Valdo-Genevan cross-border territory. Conceived as initiatives of relocation of the energy supply system, these energy planning initiatives are examined through an institutionalist and pragmatic 'reading template'. This 'reading template' consists of seeing these energy planning initiatives as pragmatist inquiries aiming, through a collective work of cognitive equipment of the territorial Franco-Valdo-Genevan field of intervention, at the reconstruction of the means of coordination between people about their material, organizational and political territory. It opens towards a double reading of the energy planning initiatives. The first one concentrates on the organizational dimension of these inquiries - i.e. on the cultures of action which they gather and the modalities of interaction between them - whereas the second focuses on the cognitive substance which represents the medium of the interactions. This double reading provides insights at various levels. The first one concerns the (cognitive) territorial field of intervention that these energy-planning experiments contribute to draw. A field which, although better and better characterized in its technical dimensions, remains at the same time limited and 'deformed' so that it values more the fossil energy systems, from which we want to release ourselves, than the renewable ones, which we would like to replace them with. The second level of teaching concerns the processes of production of territorial knowledge (PPTK) which presides over the demarcation and 'equipment' of the territorial field of intervention. Examined through the institutional norms and the culture of

  11. Theory of competitive solvation of polymers by two solvents and entropy-enthalpy compensation in the solvation free energy upon dilution with the second solvent.

    Science.gov (United States)

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

    2015-06-07

    We develop a statistical mechanical lattice theory for polymer solvation by a pair of relatively low molar mass solvents that compete for binding to the polymer backbone. A theory for the equilibrium mixture of solvated polymer clusters {AiBCj} and free unassociated molecules A, B, and C is formulated in the spirit of Flory-Huggins mean-field approximation. This theoretical framework enables us to derive expressions for the boundaries for phase stability (spinodals) and other basic properties of these polymer solutions: the internal energy U, entropy S, specific heat CV, extent of solvation Φsolv, average degree of solvation 〈Nsolv〉, and second osmotic virial coefficient B2 as functions of temperature and the composition of the mixture. Our theory predicts many new phenomena, but the current paper applies the theory to describe the entropy-enthalpy compensation in the free energy of polymer solvation, a phenomenon observed for many years without theoretical explanation and with significant relevance to liquid chromatography and other polymer separation methods.

  12. Reorganization of a hospital catering system increases food intake in patients with inadequate intake

    DEFF Research Database (Denmark)

    Freil, M; Nielsen, MA; Blitz, B

    2006-01-01

    Background : Low food intake is a frequent problem in undernourished hospital patients. Objective: To study whether a reorganization of a hospital catering system enabling patients to choose their evening meal individually, in combination with an increase in the energy density of the food....... Conclusions: Reorganization of a hospital catering system can increase energy and protein intake and reduce waste substantially....

  13. Effects of the charge-transfer reorganization energy on the open-circuit voltage in small-molecular bilayer organic photovoltaic devices: comparison of the influence of deposition rates of the donor.

    Science.gov (United States)

    Lee, Chih-Chien; Su, Wei-Cheng; Chang, Wen-Chang

    2016-05-14

    The theoretical maximum of open-circuit voltage (VOC) of organic photovoltaic (OPV) devices has yet to be determined, and its origin remains debated. Here, we demonstrate that VOC of small-molecule OPV devices can be improved by controlling the deposition rate of a donor without changing the interfacial energy gap at the donor/acceptor interface. The measurement of external quantum efficiency and electroluminescence spectra facilitates the observation of the existence of charge transfer (CT) states. A simplified approach by reusing the reciprocity relationship for obtaining the properties of the CT states is proposed without introducing complex techniques. We compare experimental and fitting results and propose that reorganization energy is the primary factor in determining VOC instead of either the CT energy or electronic coupling term in bilayer OPV devices. Atomic force microscopy images indicate a weak molecular aggregation when a higher deposition rate is used. The results of temperature-dependent measurements suggest the importance of molecular stacking for the CT properties.

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

    Science.gov (United States)

    Klähn, Marco; Martin, Alistair; Cheong, Daniel W; Garland, Marc V

    2013-12-28

    The partial molar volumes, V(i), of the gas solutes H2, CO, and CO2, solvated in acetone, methanol, heptane, and diethylether are determined computationally in the limit of infinite dilution and standard conditions. Solutions are described with molecular dynamics simulations in combination with the OPLS-aa force field for solvents and customized force field for solutes. V(i) is determined with the direct method, while the composition of V(i) is studied with Kirkwood-Buff integrals (KBIs). Subsequently, the amount of unoccupied space and size of pre-formed cavities in pure solvents is determined. Additionally, the shape of individual solvent cages is analyzed. Calculated V(i) deviate only 3.4 cm(3) mol(-1) (7.1%) from experimental literature values. Experimental V(i) variations across solutions are reproduced qualitatively and also quantitatively in most cases. The KBI analysis identifies differences in solute induced solvent reorganization in the immediate vicinity of H2 (<0.7 nm) and solvent reorganization up to the third solvation shell of CO and CO2 (<1.6 nm) as the origin of V(i) variations. In all solutions, larger V(i) are found in solvents that exhibit weak internal interactions, low cohesive energy density and large compressibility. Weak internal interactions facilitate solvent displacement by thermal solute movement, which enhances the size of solvent cages and thus V(i). Additionally, attractive electrostatic interactions of CO2 and the solvents, which do not depend on internal solvent interactions only, partially reversed the V(i) trends observed in H2 and CO solutions where electrostatic interactions with the solvents are absent. More empty space and larger pre-formed cavities are found in solvents with weak internal interactions, however, no evidence is found that solutes in any considered solvent are accommodated in pre-formed cavities. Individual solvent cages are found to be elongated in the negative direction of solute movement. This wake behind

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

    Science.gov (United States)

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

    2013-12-01

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

  16. Solar Energy for a Solvent Recovery Stage in a Biodiesel Production Process

    Directory of Open Access Journals (Sweden)

    José A. León

    2016-01-01

    Full Text Available Recent research and development of clean energy have become essential due to the global climate change problem, which is caused largely by fossil fuels burning. Therefore, biodiesel, a renewable and ecofriendly biofuel with less environmental impact than diesel, continues expanding worldwide. The process for biodiesel production involves a significant energy demand, specifically in the methanol recovery stage through a flash separator and a distillation column. Traditionally, the energy required for this process is supplied by fossil fuels. It represents an opportunity for the application of renewable energy. Hence, the current study presents a system of thermal energy storage modeled in TRNSYS® and supported by simulations performed in ASPEN PLUS®. The aim of this research was to supply solar energy for a methanol recovery stage in a biodiesel production process. The results highlighted that it is feasible to meet 91% of the energy demand with an array of 9 parabolic trough collectors. The array obtained from the simulation was 3 in series and 3 in parallel, with a total area of 118.8 m2. It represents an energy saving of 70 MWh per year.

  17. S. 1439: Export Reorganization Act of 1976. Hearings before the Joint Committee on Atomic Energy, Congress of the United States, Ninety-Fourth Congress, Second Session on S. 1439, S. 3770, and H.R. 15273

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

    The hearing of July 28, 1976 on S. 1439, a bill to reorganize certain export functions of the Federal government, included statements from the following: Sen. John O. Pastore, Chairman, JCAE; Sen. Abraham Ribicoff; Sen. Charles H. Percy; Myron B. Kratzer, Deputy Ass't. Secy. for Nuclear Energy and Energy Technology, Dept. of State; Charles W. Robinson, Deputy Secy. of State; Dr. Robert W. Fri, Deputy Administrator, ERDA; Marcus A. Rowden, Chairman, NRC, accompanied by Commissioners Kennedy and Gilinsky; and the joint prepared statement of Senators Glenn, Percy, and Ribicoff. S. 1439 was unanimously rejected by the Joint Committee in open meeting on Aug. 26, 1976. Then on Aug. 31, 1976, the Joint Committee met to receive testimony on the Nuclear Explosive Proliferation Control Act of 1976, S. 3770 and H.R. 15273, the proposed substitute for S. 1439. The Aug. 31 hearing included statements by Rep. Melvin Price, Vice Chairman, JCAE, and Fri, Rowden, and Kratzer. Further background information, mainly letters, is included under ''Additional Materials'' and in three appendixes

  18. The reorganization of the Russian hydrocarbons industry: an overview

    International Nuclear Information System (INIS)

    Locatelli, C.

    1995-01-01

    The purpose of this article is to present the main guidelines for the reorganization of the Russian hydrocarbon industry. Specifically, it focuses on the economic conditions concerning the constitution of Russian oil companies in an uncertain environment. In Russia, one of the main problems is to create autonomous energy enterprises. The main conclusion is that up to now the reorganization has been essentially juridical, connected with the constitution of joint stock companies. From an economic point of view, the organizational model behind these joint stock companies is not very well defined and lacks clearly defined coordination mechanisms. (author)

  19. Reorganization of AECL and the future marketing program

    International Nuclear Information System (INIS)

    Donnelly, James

    Atomic Energy of Canada Ltd. Engineering Co. has been reorganized to support the new emphasis on foreign sales of CANDU reactors. Much has been learned from reactor sales to Argentina, Korea, and Romania, but Canada needs to sell one 600 MWe reactor a year in order to avoid a decline in its nuclear industry. (LL)

  20. Los Alamos Scientific Laboratory energy-related history, research, managerial reorganization proposals, actions taken, and results. History report, 1945--1979

    International Nuclear Information System (INIS)

    Hammel, E.F.

    1997-03-01

    This report documents the development of major energy-related programs at the Los Alamos Scientific Laboratory between 1945 and 1979. Although the Laboratory's primary mission during that era was the design and development of nuclear weapons and most of the Laboratory's funding came from a single source, a number of factors were at work that led to the development of these other programs. Some of those factors were affected by the Laboratory's internal management structure and organization; others were the result of increasing environmental awareness within the general population and the political consequences of that awareness; still others were related to the increasing demand for energy and the increasing turmoil in the energy-rich Middle East. This report also describes the various activities in Los Alamos, in Washington, and in other areas of the world that contributed to the development of major energy-related programs at Los Alamos. The author has a unique historical perspective because of his involvement as a scientist and manager at the Los Alamos Scientific Laboratory during the time period described within the report. In addition, in numerous footnotes and references, he cites a large body of documents that include the opinions and perspectives of many others who were involved at one time or another in these programs. Finally the report includes a detailed chronology of geopolitical events that led to the development of energy-related programs at Los Alamos

  1. Los Alamos Scientific Laboratory energy-related history, research, managerial reorganization proposals, actions taken, and results. History report, 1945--1979

    Energy Technology Data Exchange (ETDEWEB)

    Hammel, E.F.

    1997-03-01

    This report documents the development of major energy-related programs at the Los Alamos Scientific Laboratory between 1945 and 1979. Although the Laboratory`s primary mission during that era was the design and development of nuclear weapons and most of the Laboratory`s funding came from a single source, a number of factors were at work that led to the development of these other programs. Some of those factors were affected by the Laboratory`s internal management structure and organization; others were the result of increasing environmental awareness within the general population and the political consequences of that awareness; still others were related to the increasing demand for energy and the increasing turmoil in the energy-rich Middle East. This report also describes the various activities in Los Alamos, in Washington, and in other areas of the world that contributed to the development of major energy-related programs at Los Alamos. The author has a unique historical perspective because of his involvement as a scientist and manager at the Los Alamos Scientific Laboratory during the time period described within the report. In addition, in numerous footnotes and references, he cites a large body of documents that include the opinions and perspectives of many others who were involved at one time or another in these programs. Finally the report includes a detailed chronology of geopolitical events that led to the development of energy-related programs at Los Alamos.

  2. Solvent extraction

    Energy Technology Data Exchange (ETDEWEB)

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

    1988-01-05

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

  3. Long term fault system reorganization of convergent and strike-slip systems

    Science.gov (United States)

    Cooke, M. L.; McBeck, J.; Hatem, A. E.; Toeneboehn, K.; Beyer, J. L.

    2017-12-01

    Laboratory and numerical experiments representing deformation over many earthquake cycles demonstrate that fault evolution includes episodes of fault reorganization that optimize work on the fault system. Consequently, the mechanical and kinematic efficiencies of fault systems do not increase monotonically through their evolution. New fault configurations can optimize the external work required to accommodate deformation, suggesting that changes in system efficiency can drive fault reorganization. Laboratory evidence and numerical results show that fault reorganization within accretion, strike-slip and oblique convergent systems is associated with increasing efficiency due to increased fault slip (frictional work and seismic energy) and commensurate decreased off-fault deformation (internal work and work against gravity). Between episodes of fault reorganization, fault systems may become less efficient as they produce increasing off fault deformation. For example, laboratory and numerical experiments show that the interference and interaction between different fault segments may increase local internal work or that increasing convergence can increase work against gravity produced by a fault system. This accumulation of work triggers fault reorganization as stored work provides the energy required to grow new faults that reorganize the system to a more efficient configuration. The results of laboratory and numerical experiments reveal that we should expect crustal fault systems to reorganize following periods of increasing inefficiency, even in the absence of changes to the tectonic regime. In other words, fault reorganization doesn't require a change in tectonic loading. The time frame of fault reorganization depends on fault system configuration, strain rate and processes that relax stresses within the crust. For example, stress relaxation may keep pace with stress accumulation, which would limit the increase in the internal work and gravitational work so that

  4. Study of energy transfer to solvent in radiation graft polymerization of styrene onto polyethylene

    International Nuclear Information System (INIS)

    Rabie, A.; Odian, G.

    1977-01-01

    The radiation-initiated graft polymerization of styrene onto polyethylene was studied to determine whether energy transfer to diluent was responsible for the previously observed high orders of dependence of the grafting rate on monomer concentration. n-Octane was used as the diluent instead of benzene. If energy transfer from excited polyethylene to benzene were present, it should not be with n-octane. The percent swelling of polyethylene by various n-octane--styrene mixtures was determined. The compositions of various n-octane--styrene mixtures absorbed inside polyethylene were determined by ultraviolet and refractive index measurements and found to be richer in styrene than the corresponding mixtures in which the polyethylene had been placed. The graft polymerization rates were determined at 0.000761, 0.0371, and 0.213 Mrad/hr and plotted against the inside styrene concentrations on a log-log scale to yield the kinetic orders of dependence of rate on monomer as 2, 3, and 3, respectively. It was concluded that energy transfer to diluent was not responsible for the high-order dependence observed

  5. Highly sensitive panchromatic ternary polymer photodetectors enabled by Förster resonance energy transfer and post solvent treatment

    Science.gov (United States)

    Wang, Hanyu; Zheng, Yifan; Qin, Ruiheng; Yu, Junsheng

    2018-03-01

    A panchromatic ternary polymer photodetector (PPD) with broadband response from 300 to 1000 nm is fabricated via incorporating poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-bʹ]dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PTB7) as the third component in poly(diketopyrrolopyrrole-terthiophene) (PDPP3T) [6]:-phenyl-C71-butyric acid methyl ester (PC71BM), revealing a high detectivity (D *) of 7.02  ×  1011 Jones at 850 nm. Through the analysis of photoluminescence and external quantum efficiency spectroscopy, we find that PTB7 can not only improve the absorption between 500-750 nm to induce more excitons, but also provide non-radiative transfer energy to PDPP3T via Förster resonance energy transfer (FRET). Moreover, we employ post solvent treatment (PST) to rectify the morphology of ternary blends, thus reducing charge recombination, suppressing dark current, and boosting the D * to 1.57  ×  1012 Jones at 850 nm, which is 2.34 folds higher than that of the untreated PPDs. This work indicates that the incorporation of FRET donor and PST in ternary blends is an effective way to develop highly sensitive panchromatic PPDs.

  6. GC-MS analysis of ethanol solution with D2O as solvent implanted by low energy N+

    International Nuclear Information System (INIS)

    Shi Huaibin; Shao Chunlin; Yu Zengliang

    2001-10-01

    Low energy ions were produced by N 2 glow-discharge. The positive ones were accelerated into ethanol solution with D 2 O as solvent to induce chemical reactions. GC-MS analysis showed that DCH 2 CH 2 OH, HOCH 2 CH 2 OD were produced by such kind of implantation. Thus, it was proved that the reaction was mainly caused by radicals generated by decomposition of water molecules, D . and . OD played an important role in the process. Meanwhile, CH 3 COOD and HOCH 2 CH 2 ND 2 were also found in the products, so it was concluded that the reaction was carried out under an oxidative atmosphere, which was thought to be probably related to . OD radicals, too. The capture of D from D 2 O by N + to form . ND 2 radicals was not only an initial step to produce HOCH 2 CH 2 ND 2 but also served as a probable pattern for 'nitrogen deposition'. All these were helpful to reveal the mechanism of the reaction induced by low energy N + implanting into solution samples

  7. Solar Energy Materials & Solar Cells Solvent additives for tuning the photovoltaic properties of polymer – fullerene solar cells

    NARCIS (Netherlands)

    Sio, Antonietta De; Madena, Thomas; Huber, Ralph; Deschler, Felix; Como, Enrico Da; Esposito, Salvatore; Hauff, Elizabeth Von

    2011-01-01

    We use solvent additives as a simple method to tune the photovoltaic performance of poly-3-hexylthiophene (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) bulk heterojuncton solar cells. 1,2-dichlorobenzene (oDCB) was used as the reference solvent; chlorobenzene (CB) and 1,2,3,4-

  8. Deasphalting solvents

    International Nuclear Information System (INIS)

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

    1996-01-01

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

  9. A New Equation Relating the Viscosity Arrhenius Temperature and the Activation Energy for Some Newtonian Classical Solvents

    Directory of Open Access Journals (Sweden)

    Aymen Messaâdi

    2015-01-01

    Full Text Available In transport phenomena, precise knowledge or estimation of fluids properties is necessary, for mass flow and heat transfer computations. Viscosity is one of the important properties which are affected by pressure and temperature. In the present work, based on statistical techniques for nonlinear regression analysis and correlation tests, we propose a novel equation modeling the relationship between the two parameters of viscosity Arrhenius-type equation, such as the energy (Ea and the preexponential factor (As. Then, we introduce a third parameter, the Arrhenius temperature (TA, to enrich the model and the discussion. Empirical validations using 75 data sets of viscosity of pure solvents studied at different temperature ranges are provided from previous works in the literature and give excellent statistical correlations, thus allowing us to rewrite the Arrhenius equation using a single parameter instead of two. In addition, the suggested model is very beneficial for engineering data since it would permit estimating the missing parameter value, if a well-established estimate of the other parameter is readily available.

  10. Devulcanization of Waste Tire Rubber Using Amine Based Solvents and Ultrasonic Energy

    Directory of Open Access Journals (Sweden)

    Walvekar Rashmi

    2018-01-01

    Full Text Available This research project focuses on an alternative pathway of devulcanizing waste tire rubber by using amine based chemicals. Waste tire rubbers are known to be as toxic, non-degradable material due to their vulcanized crosslink carbon structure, and disposing of such waste could impose hazardous impacts on the environment. The current rubber recycling methods that are practiced today are rather uneconomical, non-environmentally friendly, and also producing recycled rubber with low quality due to the alteration in the main polymeric chains of waste rubber. This project aims to answer the question of whether the usage of amine can produce high quality rubber, where the properties of recycled rubber is almost the same as new/virgin rubber. With known potential of amine, it is a challenge for the chemical to selectively cleave the sulfur bonds without affecting the main carbon backbone chain in the rubber structure and diminishing much of the rubber properties. To study this research, amine-treated rubber must undergo devulcanisation process by applying heat and sonication energy. Then, the properties of the amine-treated rubber were determined through a set of characterization tests and analysis which are: gel content test to determine the weight of rubber before and after devulcanization, the thermogravimetric analysis (TGA to determine the thermal degradation and stability of rubber, and Fourier Transform Infrared Spectroscopy (FTIR to determine any structural change of the rubber. In this research so far, the first two preliminary analysis tests have been performed. The gel content test has shown that tertiary amine samples possessed a lower gel content (% of (77 – 63 %, compared to primary amine samples (falls within the range of 80%, as well as the TGA test in which tertiary amine samples degrade faster than primary amine samples (suggesting a higher degree of rubber structure breakdown. For each type of amine, the concertation of amine did

  11. Solvent substitution

    International Nuclear Information System (INIS)

    1990-01-01

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

  12. Solvent substitution

    Energy Technology Data Exchange (ETDEWEB)

    1990-01-01

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

  13. Solubility and Standard Gibb's energies of transfer of alkali metal perchlorates, tetramethyl- and tetraethylammonium from water to aqua-acetone solvents

    International Nuclear Information System (INIS)

    Kireev, A.A.; Pak, T.G.; Bezuglyj, V.D.

    1996-01-01

    Solubilities of KClO 4 , RbClO 4 , CsClO 4 , (CH 3 ) 4 NClO 4 , (C 2 M 5 ) 4 NClO 4 in water and water-acetone mixtures are determined by the method of isothermal saturation at 298.15 K. Dissociation constants of alkali metal perchlorates are found by conductometric method. Solubility products and standard Gibbs energies of transfer of corresponding electrolytes from water into water-acetone solvents are calculated. The character of transfer Gibbs energy dependence on solvent composition is explained by preferred solvation of cations by acetone molecules and anions-by water molecules. Features of tetraalkyl ammonium ions are explained by large changes in energy of cavity formation for these ions

  14. Reorganization of a hospital catering system increases food intake in patients with inadequate intake

    DEFF Research Database (Denmark)

    Freil, M.; Nielsen, M. A.; Biltz, C.

    2006-01-01

    Background: Low food intake is a frequent problem in undernourished hospital patients. Objective: To study whether a reorganization of a hospital catering system enabling patients to choose their evening meal individually, in combination with an increase in the energy density of the food, increases......: Reorganization of a hospital catering system can increase energy and protein intake and reduce waste substantially. Keywords: hospital food; nutritional risk; undernutrition...

  15. Firm Reorganization : Social Control or Social Contract?

    NARCIS (Netherlands)

    Aalbers, Hendrik Leendert; Dolfsma, Wilfred; Blinde-Leerentveld, Rowan

    Firm reorganizations deeply affect employees. Management can reorganize in different ways, focusing on costs or acknowledging the involvement of employees. The latter implies following a social contract that complements incomplete (formal) labor contracts. Little is known about how the way in which

  16. Photovoltaic industry, towards a reorganization

    International Nuclear Information System (INIS)

    Houot, G.

    2011-01-01

    During the first semester 2011 the sales of photovoltaic equipment have dropped unexpectedly, certainly due to the harsh winter in Europe and the reduction of the policy of financial incentives in some countries. This drop in demand has triggered such a drop in prices that some manufacturers face financial difficulties, for instance the American Evergreen Solar was declared bankrupt in mid august 2011. Today the production of solar panels exceeds the demand. The third term of 2011 shows an improvement but the sector will not escape a reorganization: there are too many manufacturers, some will disappear, other will merge, the biggest will stay. Some economists see the future market divided into 2 sectors: one sector dedicated to the mass production of classical solar panels at very low cost, this sector will be occupied mainly by Chinese companies and another sector demanding a more specialized know-how will be driven by American, Japanese and European companies. (A.C.)

  17. Massive cortical reorganization in sighted Braille readers.

    Science.gov (United States)

    Siuda-Krzywicka, Katarzyna; Bola, Łukasz; Paplińska, Małgorzata; Sumera, Ewa; Jednoróg, Katarzyna; Marchewka, Artur; Śliwińska, Magdalena W; Amedi, Amir; Szwed, Marcin

    2016-03-15

    The brain is capable of large-scale reorganization in blindness or after massive injury. Such reorganization crosses the division into separate sensory cortices (visual, somatosensory...). As its result, the visual cortex of the blind becomes active during tactile Braille reading. Although the possibility of such reorganization in the normal, adult brain has been raised, definitive evidence has been lacking. Here, we demonstrate such extensive reorganization in normal, sighted adults who learned Braille while their brain activity was investigated with fMRI and transcranial magnetic stimulation (TMS). Subjects showed enhanced activity for tactile reading in the visual cortex, including the visual word form area (VWFA) that was modulated by their Braille reading speed and strengthened resting-state connectivity between visual and somatosensory cortices. Moreover, TMS disruption of VWFA activity decreased their tactile reading accuracy. Our results indicate that large-scale reorganization is a viable mechanism recruited when learning complex skills.

  18. Hierarchical reorganization of dimensions in OLAP visualizations.

    Science.gov (United States)

    Lafon, Sébastien; Bouali, Fatma; Guinot, Christiane; Venturini, Gilles

    2013-11-01

    In this paper, we propose a new method for the visual reorganization of online analytical processing (OLAP) cubes that aims at improving their visualization. Our method addresses dimensions with hierarchically organized members. It uses a genetic algorithm that reorganizes k-ary trees. Genetic operators perform permutations of subtrees to optimize a visual homogeneity function. We propose several ways to reorganize an OLAP cube depending on which set of members is selected for the reorganization: all of the members, only the displayed members, or the members at a given level (level by level approach). The results that are evaluated by using optimization criteria show that our algorithm has a reliable performance even when it is limited to 1 minute runs. Our algorithm was integrated in an interactive 3D interface for OLAP. A user study was conducted to evaluate our approach with users. The results highlight the usefulness of reorganization in two OLAP tasks.

  19. Near-memory data reorganization engine

    Science.gov (United States)

    Gokhale, Maya; Lloyd, G. Scott

    2018-05-08

    A memory subsystem package is provided that has processing logic for data reorganization within the memory subsystem package. The processing logic is adapted to reorganize data stored within the memory subsystem package. In some embodiments, the memory subsystem package includes memory units, a memory interconnect, and a data reorganization engine ("DRE"). The data reorganization engine includes a stream interconnect and DRE units including a control processor and a load-store unit. The control processor is adapted to execute instructions to control a data reorganization. The load-store unit is adapted to process data move commands received from the control processor via the stream interconnect for loading data from a load memory address of a memory unit and storing data to a store memory address of a memory unit.

  20. Network industries deregulation and energy industries reorganization

    International Nuclear Information System (INIS)

    Delaporte, P.; Chevalier, J.M.; Bourdaire, J.M.

    1999-01-01

    The electric power distribution systems deregulation is going to change the economical and institutional scenery. The empowerment term can be anything but a happy change for the customer by giving him the free choice. But this evolution calls the public power in question again. Meanwhile the government has to remain vigilant and watch over the safety in terms of cartel and environment risk. (A.L.B.)

  1. The behavior of exciplex decay processes and interplay of radiationless transition and preliminary reorganization mechanisms of electron transfer in loose and tight pairs of reactants.

    Science.gov (United States)

    Kuzmin, Michael G; Soboleva, Irina V; Dolotova, Elena V

    2007-01-18

    Exciplex emission spectra and rate constants of their decay via internal conversion and intersystem crossing are studied and discussed in terms of conventional radiationless transition approach. Exciplexes of 9-cyanophenanthrene with 1,2,3-trimethoxybenzene and 1,3,5-trimethoxybenzene were studied in heptane, toluene, butyl acetate, dichloromethane, butyronitrile, and acetonitrile. A better description of spectra and rate constants is obtained using 0-0 transition energy and Gauss broadening of vibrational bands rather than the free energy of electron transfer and reorganization energy. The coincidence of parameters describing exciplex emission spectra and dependence of exciplex decay rate constants on energy gap gives the evidence of radiationless quantum transition mechanism rather than thermally activated medium reorganization mechanism of charge recombination in exciplexes and excited charge transfer complexes (contact radical ion pairs) as well as in solvent separated radical ion pairs. Radiationless quantum transition mechanism is shown to provide an appropriate description also for the main features of exergonic excited-state charge separation reactions if fast mutual transformations of loose and tight pairs of reactants are considered. In particular, very fast electron transfer (ET) in tight pairs of reactants with strong electronic coupling of locally excited and charge transfer states can prevent the observation of an inverted region in bimolecular excited-state charge separation even for highly exergonic reactions.

  2. Optimized Solvent for Energy-Efficient, Environmentally-Friendly Capture of CO{sub 2} at Coal-Fired Power Plants

    Energy Technology Data Exchange (ETDEWEB)

    Farthing, G. A.; Rimpf, L. M.

    2014-04-30

    The overall goal of this project, as originally proposed, was to optimize the formulation of a novel solvent as a critical enabler for the cost-effective, energy-efficient, environmentally-friendly capture of CO{sub 2} at coal-fired utility plants. Aqueous blends of concentrated piperazine (PZ) with other compounds had been shown to exhibit high rates of CO{sub 2} absorption, low regeneration energy, and other desirable performance characteristics during an earlier 5-year development program conducted by B&W. The specific objective of this project was to identify PZ-based solvent formulations that globally optimize the performance of coal-fired power plants equipped with CO{sub 2} scrubbing systems. While previous solvent development studies have tended to focus on energy consumption and absorber size, important issues to be sure, the current work seeks to explore, understand, and optimize solvent formulation across the full gamut of issues related to commercial application of the technology: capital and operating costs, operability, reliability, environmental, health and safety (EH&S), etc. Work on the project was intended to be performed under four budget periods. The objective of the work in the first budget period has been to identify several candidate formulations of a concentrated PZ-based solvent for detailed characterization and evaluation. Work in the second budget period would generate reliable and comprehensive property and performance data for the identified formulations. Work in the third budget period would quantify the expected performance of the selected formulations in a commercial CO{sub 2} scrubbing process. Finally, work in the fourth budget period would provide a final technology feasibility study and a preliminary technology EH&S assessment. Due to other business priorities, however, B&W has requested that this project be terminated at the end of the first budget period. This document therefore serves as the final report for this project. It

  3. Solvent substitutes

    International Nuclear Information System (INIS)

    Evanoff, S.P.

    1995-01-01

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

  4. Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection

    Science.gov (United States)

    Cox, Courtney E.; Phifer, Jeremy R.; Ferreira da Silva, Larissa; Gonçalves Nogueira, Gabriel; Ley, Ryan T.; O'Loughlin, Elizabeth J.; Pereira Barbosa, Ana Karolyne; Rygelski, Brett T.; Paluch, Andrew S.

    2017-02-01

    Solubility parameter based methods have long been a valuable tool for solvent formulation and selection. Of these methods, the MOdified Separation of Cohesive Energy Density (MOSCED) has recently been shown to correlate well the equilibrium solubility of multifunctional non-electrolyte solids. However, before it can be applied to a novel solute, a limited amount of reference solubility data is required to regress the necessary MOSCED parameters. Here we demonstrate for the solutes methylparaben, ethylparaben, propylparaben, butylparaben, lidocaine and ephedrine how conventional molecular simulation free energy calculations or electronic structure calculations in a continuum solvent, here the SMD or SM8 solvation model, can instead be used to generate the necessary reference data, resulting in a predictive flavor of MOSCED. Adopting the melting point temperature and enthalpy of fusion of these compounds from experiment, we are able to predict equilibrium solubilities. We find the method is able to well correlate the (mole fraction) equilibrium solubility in non-aqueous solvents over four orders of magnitude with good quantitative agreement.

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

    International Nuclear Information System (INIS)

    Caldin, E.F.; Mateo, S.

    1975-01-01

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

  6. Evaluation of the detachment energy of hydrated phosphate anion over a wide range of cluster size and revisiting solvent-berg model: a theoretical study

    Science.gov (United States)

    Pathak, Arup Kumar

    2014-12-01

    An explicit analytical expression has been obtained for vertical detachment energy (VDE) that can be used to calculate the same over a wide range (both stable and unstable regions) of cluster sizes including the bulk from the knowledge of VDE for a finite number of stable clusters (n = 16-23). The calculated VDE for the bulk is found to be very good in agreement (within 1%) with the available experimental result and the domain of instability lies between n = 0 and n = 15 for the hydrated clusters, PO3 -4 . nH2O. The minimum number (n0) of water molecules needed to stabilise the phosphate anion is 16. We are able to explain the origin of solvent-berg model and anomalous conductivity from the knowledge of first stable cluster. We have also provided a scheme to calculate the radius of the solvent-berg for phosphate anion. The calculated conductivity using Stokes-Einstein relation and the radius of solvent-berg is found to be very good in agreement (within 4%) with the available experimental results.

  7. Photoinduced electron transfer in covalent ruthenium-anthraquinone dyads: relative importance of driving-force, solvent polarity, and donor-bridge energy gap.

    Science.gov (United States)

    Hankache, Jihane; Wenger, Oliver S

    2012-02-28

    Four rigid rod-like molecules comprised of a Ru(bpy)(3)(2+) (bpy = 2,2'-bipyridine) photosensitizer, a 9,10-anthraquinone electron acceptor, and a molecular bridge connecting the two redox partners were synthesized and investigated by optical spectroscopic and electrochemical means. An attempt was made to assess the relative importance of driving-force, solvent polarity, and bridge variation on the rates of photoinduced electron transfer in these molecules. Expectedly, introduction of tert-butyl substituents in the bipyridine ligands of the ruthenium complex and a change in solvent from dichloromethane to acetonitrile lead to a significant acceleration of charge transfer rates. In dichloromethane, photoinduced electron transfer is not competitive with the inherent excited-state deactivation processes of the photosensitizer. In acetonitrile, an increase in driving-force by 0.2 eV through attachment of tert-butyl substituents to the bpy ancillary ligands causes an increase in electron transfer rates by an order of magnitude. Replacement of a p-xylene bridge by a p-dimethoxybenzene spacer entails an acceleration of charge transfer rates by a factor of 3.5. In the dyads from this study, the relative order of importance of individual influences on electron transfer rates is therefore as follows: solvent polarity ≥ driving-force > donor-bridge energy gap.

  8. Dynamic reorganization of photosynthetic supercomplexes during environmental acclimation

    Directory of Open Access Journals (Sweden)

    Jun eMinagawa

    2013-12-01

    Full Text Available Plants and algae have acquired the ability to acclimate to ever-changing environments in order to survive. During photosynthesis, light energy is converted by several membrane protein supercomplexes into electrochemical energy, which is eventually used to assimilate CO2. The efficiency of photosynthesis is modulated by many environmental factors such as quality and quantity of light, temperature, drought, and CO2 concentration, among others. Accumulating evidence indicates that photosynthetic supercomplexes undergo supramolecular reorganization within a short timeframe during acclimation to an environmental change. This reorganization includes state transitions that balance the excitation of photosystem I and II by shuttling peripheral antenna proteins between the two, thermal energy dissipation that occurs at energy-quenching sites within the light-harvesting antenna generated for negative feedback when excess light is absorbed, and cyclic electron flow that is facilitated between photosystem I and the cytochrome bf complex when cells demand more ATP and/or need to activate energy dissipation. This review will highlight the recent findings regarding these environmental acclimation events in model organisms with particular attention to the unicellular green alga C. reinhardtii and with reference to the vascular plant A. thaliana, which offers a glimpse into the dynamic behavior of photosynthetic machineries in nature.

  9. Low-Energy Solvents For Carbon Dioxide Capture Enabled By A Combination Of Enzymes And Vacuum Regeneration

    Energy Technology Data Exchange (ETDEWEB)

    Salmon, Sonja [Novozymes North America, Inc., Franklinton, NC (United States); House, Alan [Novozymes North America, Inc., Franklinton, NC (United States); Liu, Kun [Univ. of Kentucky, Lexington, KY (United States); Frimpong, Reynolds [Univ. of Kentucky, Lexington, KY (United States); Liu, Kunlei [Univ. of Kentucky, Lexington, KY (United States); Freeman, Charles [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Whyatt, Greg [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Slater, Jonathan [Doosan Babcock, Renfew (United Kingdom); Fitzgerald, David [Doosan Babcock, Renfew (United Kingdom)

    2015-08-31

    An integrated bench-scale system combining the attributes of the bio-renewable enzyme carbonic anhydrase (CA) with low-enthalpy CO2 absorption solvents and vacuum regeneration was designed, built and operated for 500 hours using simulated flue gas. The objective was to develop a CO2 capture process with improved efficiency and sustainability when compared to NETL Case 10 monoethanolamine (MEA) scrubbing technology. The use of CA accelerates inter-conversion between dissolved CO2 and bicarbonate ion to enhance CO2 absorption, and the use of low enthalpy CO2 absorption solvents makes it possible to regenerate the solvent at lower temperatures relative to the reference MEA-based solvent. The vacuum regeneration-based integrated bench-scale system operated successfully for an accumulated 500 hours using aqueous 23.5 wt% K2CO3-based solvent containing 2.5 g/L enzyme to deliver an average 84% CO2 capture when operated with a 20% enzyme replenishment rate per ~7 hour steady-state run period. The total inlet gas flow was 30 standard liters per minute with 15% CO2 and 85% N2. The absorber temperature was 40°C and the stripper operated under 35 kPa pressure with an approximate 77°C stripper bottom temperature. Tests with a 30°C absorber temperature delivered >90% capture. On- and off-line operational measurements provided a full process data set, with recirculating enzyme, that allowed for enzyme replenishment and absorption/desorption kinetic parameter calculations. Dissolved enzyme replenishment and conventional process controls were demonstrated as straightforward approaches to maintain system performance. Preliminary evaluation of a novel flow-through ultrasonically enhanced regeneration system was also conducted, yet resulted in CO2 release within the range of temperature-dependent release, and further work would be needed to validate the benefits of ultrasonic enhanced stripping. A full technology assessment was completed in which four techno-economic cases for

  10. Solvent Extraction of Furfural From Biomass

    Science.gov (United States)

    Humphrey, M. F.

    1984-01-01

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

  11. Co-Plaintigff in Judicial Reorganization

    Directory of Open Access Journals (Sweden)

    Liliane Gonçalves Matos

    2016-12-01

    Full Text Available The aim of the study it was to analyze the possibility of the economic group file a single request for judicial reorganization. Concerning the methodology, the study is a descriptive - analytic research, analyzing the legal doctrines and jurisprudence about the subject. It has been shown that the reorganization of groups, instead of separated companies may result benefits, as a company of the group can help to recover the others that are facing difficulties, but there is the possibility to create a negative incentive for the development of global business activity. It was concluded that the active joinder in bankruptcy is feasible, but it would be more prudent for each group company present its own reorganization  plan.

  12. A systematic approach to solvent selection based on cohesive energy densities in a molecular bulk heterojunction system

    Energy Technology Data Exchange (ETDEWEB)

    Walker, Bright; Duong, Duc T.; Dang, Xuan-Dung; Kim, Chunki; Granstrom, Jimmy; Nguyen, Thuc-Quyen [Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry, University of California at Santa Barbara, Santa Barbara, CA, 93106 (United States); Tamayo, Arnold [Department of Chemistry and Geochemistry, Colorado School of Mines, 1500 Illinois Street, Golden, CO, 80401 (United States)

    2011-03-18

    The solubilities of 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4-dione (DPP(TBFu){sub 2}) and [6,6]-phenyl-C{sub 71}-butyric acid methyl ester (PC{sub 71}BM) in a series of solvents are measured, and this data is used to calculate the Hansen solubility parameters of the two materials. The dispersion, polar, and H-bonding parameters of DPP(TBFu){sub 2} and PC{sub 71}BM were found to be (19.3, 4.8, 6.3) and (20.2, 5.4, 4.5) MPa{sup 1/2}, respectively, with an error of {+-} 0.8 MPa{sup 1/2}. Based on the solubility properties of the two materials, three new solvents (thiophene, trichloroethylene and carbon disulfide) were utilized for the DPP(TBFu){sub 2}:PC{sub 71}BM system which, after device optimization, led to power conversion efficiencies up to 4.3%. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Organic solvent topical report

    Energy Technology Data Exchange (ETDEWEB)

    COWLEY, W.L.

    1999-05-13

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

  14. Organic solvent topical report

    International Nuclear Information System (INIS)

    COWLEY, W.L.

    1999-01-01

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

  15. Hierarchical structure of the energy landscape of proteins revisited by time series analysis. II. Investigation of explicit solvent effects

    Science.gov (United States)

    Alakent, Burak; Camurdan, Mehmet C.; Doruker, Pemra

    2005-10-01

    Time series analysis tools are employed on the principal modes obtained from the Cα trajectories from two independent molecular-dynamics simulations of α-amylase inhibitor (tendamistat). Fluctuations inside an energy minimum (intraminimum motions), transitions between minima (interminimum motions), and relaxations in different hierarchical energy levels are investigated and compared with those encountered in vacuum by using different sampling window sizes and intervals. The low-frequency low-indexed mode relationship, established in vacuum, is also encountered in water, which shows the reliability of the important dynamics information offered by principal components analysis in water. It has been shown that examining a short data collection period (100ps) may result in a high population of overdamped modes, while some of the low-frequency oscillations (memory: future conformations are less dependent on previous conformations due to the lowering of energy barriers in hierarchical levels of the energy landscape. In short-time dynamics (sight contradicts. However, this comes about because water enhances the transitions between minima and forces the protein to reduce its already inherent inability to maintain oscillations observed in vacuum. Some of the frequencies lower than 10cm-1 are found to be overdamped, while those higher than 20cm-1 are slightly increased. As for the long-time dynamics in water, it is found that random-walk motion is maintained for approximately 200ps (about five times of that in vacuum) in the low-indexed modes, showing the lowering of energy barriers between the higher-level minima.

  16. Thermo-optically induced reorganizations in the main light harvesting antenna of plants. II

    DEFF Research Database (Denmark)

    Holm, Jens Kai; Varkonyi, Zsuzsanna; Kovacs, Laszlo

    2005-01-01

    We have investigated the circular dichroism spectral transients associated with the light-induced reversible reorganizations in chirally organized macrodomains of pea thylakoid membranes and loosely stacked lamellar aggregates of the main chlorophyll a/b light harvesting complexes (LHCII) isolated...... from the same membranes. These reorganizations have earlier been assigned to originate from a thermo-optic effect. According to the thermo-optic mechanism, fast local thermal transients due to dissipation of the excess excitation energy induce elementary structural changes in the close vicinity...

  17. Customer service drives pipelines' reorganization

    International Nuclear Information System (INIS)

    Share, J.

    1997-01-01

    The concept behind formation of Enron Transportation and Storage tells plenty about this new gas industry. When executives at the Enron Gas Pipeline Group considered plans last year to streamline operations by merging the support functions of Transwestern Pipeline and their other wholly owned pipeline company, Northern Natural Gas, seamless customer service was foremost on their agenda. Instead of worrying about whether employees would favor one pipeline over the other, perhaps to the detriment of customers, they simply created a new organization that everyone would swear the same allegiance to. The 17,000-mile, 4.1 Bcf/d Northern system serves the upper Midwest market and two major expansion projects were completed there last year. Transwestern is a 2,700-mile system with an eastward capacity of 1 Bcf/d and westward of 1.5 Bcf/, that traditionally served California markets. It also ties into Texas intrastate markets and, thanks to expansion of the San Juan lateral, to southern Rocky Mountain supplies. Although Enron Corp. continues to position itself as a full-service energy company, the Gas Pipeline Group continues to fuel much of corporate's net income, which was $584 million last year. With ET and S comprising a significant portion of GPG's income, it was vital that the merger of Northern's 950 employees with Transwestern's 250 indeed be a seamless one. It was not easy either psychologically or geographically with main offices in Omaha, NE and Houston as well as operations centers in Minneapolis, MN; Amarillo, TX; W. Des Moines, IA; and Albuquerque, NM. But the results have been gratifying, according to William R. Cordes, President of ET and S and Nancy L. Gardner, Executive Vice President of Strategic Initiatives

  18. Reorganization of Dentate Gyrus Microcircuits During Epileptogenesis

    OpenAIRE

    Jones, Ryan Thomas

    2014-01-01

    Temporal lobe epilepsy (TLE) is a form of acquired epilepsy characterized by recurrent and unprovoked seizures. TLE often develops following a precipitating neurological insult, such as traumatic brain injury, stroke, infection, prolonged febrile seizures or status epilepticus. These insults can initiate a constellation of genetic, functional, network and systems level reorganization that transforms a normal non-epileptic brain into one capable of generating recurrent and unprovoked seizures....

  19. A simple approach to the solvent reorganisation Gibbs free energy in electron transfer reactions of redox metalloproteins

    DEFF Research Database (Denmark)

    Ulstrup, Jens

    1999-01-01

    We discuss a simple model for the environmental reorganisation Gibbs free energy, E-r, in electron transfer between a metalloprotein and a small reaction partner. The protein is represented as a dielectric globule with low dielectric constant, the metal centres as conducting spheres, all embedded...

  20. A gauge-invariant reorganization of thermal gauge theory

    Energy Technology Data Exchange (ETDEWEB)

    Su, Nan

    2010-07-01

    This dissertation is devoted to the study of thermodynamics for quantum gauge theories. The poor convergence of quantum field theory at finite temperature has been the main obstacle in the practical applications of thermal QCD for decades. In this dissertation I apply hard-thermal-loop perturbation theory, which is a gauge-invariant reorganization of the conventional perturbative expansion for quantum gauge theories to the thermodynamics of QED and Yang-Mills theory to three-loop order. For the Abelian case, I present a calculation of the free energy of a hot gas of electrons and photons by expanding in a power series in m{sub D}/T, m{sub f}/T and e{sup 2}, where m{sub D} and m{sub f} are the photon and electron thermal masses, respectively, and e is the coupling constant. I demonstrate that the hard-thermal-loop perturbation reorganization improves the convergence of the successive approximations to the QED free energy at large coupling, e {proportional_to} 2. For the non-Abelian case, I present a calculation of the free energy of a hot gas of gluons by expanding in a power series in m{sub D}/T and g{sup 2}, where m{sub D} is the gluon thermal mass and g is the coupling constant. I show that at three-loop order hard-thermal-loop perturbation theory is compatible with lattice results for the pressure, energy density, and entropy down to temperatures T {proportional_to} 2 - 3 T{sub c}. The results suggest that HTLpt provides a systematic framework that can be used to calculate static and dynamic quantities for temperatures relevant at LHC. (orig.)

  1. A gauge-invariant reorganization of thermal gauge theory

    International Nuclear Information System (INIS)

    Su, Nan

    2010-01-01

    This dissertation is devoted to the study of thermodynamics for quantum gauge theories. The poor convergence of quantum field theory at finite temperature has been the main obstacle in the practical applications of thermal QCD for decades. In this dissertation I apply hard-thermal-loop perturbation theory, which is a gauge-invariant reorganization of the conventional perturbative expansion for quantum gauge theories to the thermodynamics of QED and Yang-Mills theory to three-loop order. For the Abelian case, I present a calculation of the free energy of a hot gas of electrons and photons by expanding in a power series in m D /T, m f /T and e 2 , where m D and m f are the photon and electron thermal masses, respectively, and e is the coupling constant. I demonstrate that the hard-thermal-loop perturbation reorganization improves the convergence of the successive approximations to the QED free energy at large coupling, e ∝ 2. For the non-Abelian case, I present a calculation of the free energy of a hot gas of gluons by expanding in a power series in m D /T and g 2 , where m D is the gluon thermal mass and g is the coupling constant. I show that at three-loop order hard-thermal-loop perturbation theory is compatible with lattice results for the pressure, energy density, and entropy down to temperatures T ∝ 2 - 3 T c . The results suggest that HTLpt provides a systematic framework that can be used to calculate static and dynamic quantities for temperatures relevant at LHC. (orig.)

  2. A generic analysis of energy use and solvent selection for CO2 separation from post-combustion flue gases

    Science.gov (United States)

    Lu, Y.; Chen, S.; Rostam-Abadi, M.

    2008-01-01

    A thermodynamic calculation was performed to determine the theoretical minimum energy used to separate CO2 from a coal combustion flue gas in a typical adsorption-desorption system. Under ideal conditions, the minimum energy required to separate CO2 from post-combustion flue gas and produce pure CO2 at 1 atmospheric pressure was only about 1183 kJ/kg CO2. This amount could double with the addition of the driving forces of mass and heat transfer and the adverse impacts of absorption heat release on adsorption capacity. Thermodynamic analyses were also performed for the aqueous amine-based absorption process. Two CO2 reaction mechanisms, the carbamate formation reaction with primary/secondary amines and the CO2 hydration reaction with tertiary amines, were included in the absorption reaction. The reaction heat, sensible heat, and stripping heat were all important to the total heat requirement. The heat use of an ideal tertiary amine amounted to 2786 kJ/kg, compared to 3211 kJ/kg for an ideal primary amine. The heat usage of an ideal amine was about 20% lower than that of commercially available amines. Optimizing the absorption process configuration could further reduce energy use. This is an abstract of a paper presented at the 2008 AIChE Spring National Meeting (New Orleans, LA 4/6-10/2008).

  3. Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points.

    Science.gov (United States)

    Harris, Robert C; Deng, Nanjie; Levy, Ronald M; Ishizuka, Ryosuke; Matubayasi, Nobuyuki

    2017-06-05

    Many biomolecules undergo conformational changes associated with allostery or ligand binding. Observing these changes in computer simulations is difficult if their timescales are long. These calculations can be accelerated by observing the transition on an auxiliary free energy surface with a simpler Hamiltonian and connecting this free energy surface to the target free energy surface with free energy calculations. Here, we show that the free energy legs of the cycle can be replaced with energy representation (ER) density functional approximations. We compute: (1) The conformational free energy changes for alanine dipeptide transitioning from the right-handed free energy basin to the left-handed basin and (2) the free energy difference between the open and closed conformations of β-cyclodextrin, a "host" molecule that serves as a model for molecular recognition in host-guest binding. β-cyclodextrin contains 147 atoms compared to 22 atoms for alanine dipeptide, making β-cyclodextrin a large molecule for which to compute solvation free energies by free energy perturbation or integration methods and the largest system for which the ER method has been compared to exact free energy methods. The ER method replaced the 28 simulations to compute each coupling free energy with two endpoint simulations, reducing the computational time for the alanine dipeptide calculation by about 70% and for the β-cyclodextrin by > 95%. The method works even when the distribution of conformations on the auxiliary free energy surface differs substantially from that on the target free energy surface, although some degree of overlap between the two surfaces is required. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  4. Solvent sorting in (mixed solvent electrolyte) systems: Time-resolved ...

    Indian Academy of Sciences (India)

    lar solvents as an effective single component dipo- lar liquid that is characterized ... and time (t) dependent solvation energy of mobile dipo- lar solute with density ..... Even though this way for modification of C is purely ad- hoc, the observation ...

  5. Changes in Allostatic Load during workplace reorganization.

    Science.gov (United States)

    Carlsson, Rikke Hinge; Hansen, Åse Marie; Nielsen, Martin Lindhardt; Blønd, Morten; Netterstrøm, Bo

    2017-12-01

    Allostatic Load (AL) represents the strain on the body produced by repeated physiologic or allostatic responses activated during stressful situations. Several cross-sectional studies have found empirical substantiation for the relationship between impaired psychosocial work environment and high AL. The aim of this longitudinal study is to investigate changes in AL during workplace reorganization that has been shown to cause impaired psychosocial work environment. Moreover, we aim to investigate the association between changes in AL and changes in psychosocial work environment (job strain, effort-reward imbalance) and psychological distress (stress symptoms and perceived stress). A major reorganization of non-state public offices was effectuated in Denmark on 1 January 2007. In 2006 and 2008, we collected clinical and questionnaire data from 359 participants, 265 women and 94 men, employed in seven municipality or county administrations. Four municipalities and one county merged with others, while one municipality and one county remained unmerged. We calculated the AL score based on 13 physiological markers reflecting stress responses of the cardiovascular, metabolic, neuroendocrine and immune systems. We analysed changes in AL from 2006 to 2008. AL increased significantly during workplace reorganization in the whole study group but we observed only a tendency of significant increase in AL in the merger group compared with the control group. Moreover, we observed no association between the changes in AL and changes in psychosocial work environment and psychological distress. This result leaves the conclusion unclear but contributes to the limited research in this area with a longitudinal design and focus on low-risk levels and small changes in AL in healthy people as predictor of future disease. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. The IDC-thesaurus and its reorganization

    International Nuclear Information System (INIS)

    Senf, W.

    1979-04-01

    Final report on the IDC-Thesaurus and its reorganization. The Thesaurus set up for documentation of chemistry and its borderline areas is built up of concept sets. These concept sets unite all synonyms and are linked by concept relations reflecting the hierarchical structure of the Thesaurus. Analysis of the polyhierarchy of the Thesaurus. Composite concepts are subdivided into their broader terms of the abstraction system. These concepts as well as words with different spelling are transferred from the retrieval Thesaurus to a Thesaurus dictionary from which a file is set up for correcting the complete documentation file. (orig.) 891 WB 892 MB [de

  7. Changes in Allostatic Load during workplace reorganization

    DEFF Research Database (Denmark)

    Carlsson, Rikke Hinge; Hansen, Åse Marie; Nielsen, Martin Lindhardt

    2017-01-01

    , effort-reward imbalance) and psychological distress (stress symptoms and perceived stress). Methods A major reorganization of non-state public offices was effectuated in Denmark on 1 January 2007. In 2006 and 2008, we collected clinical and questionnaire data from 359 participants, 265 women and 94 men...... between the changes in AL and changes in psychosocial work environment and psychological distress. Conclusions This result leaves the conclusion unclear but contributes to the limited research in this area with a longitudinal design and focus on low-risk levels and small changes in AL in healthy people...

  8. Impact of D2O/H2O Solvent Exchange on the Emission of HgTe and CdTe Quantum Dots: Polaron and Energy Transfer Effects.

    Science.gov (United States)

    Wen, Qiannan; Kershaw, Stephen V; Kalytchuk, Sergii; Zhovtiuk, Olga; Reckmeier, Claas; Vasilevskiy, Mikhail I; Rogach, Andrey L

    2016-04-26

    We have studied light emission kinetics and analyzed carrier recombination channels in HgTe quantum dots that were initially grown in H2O. When the solvent is replaced by D2O, the nonradiative recombination rate changes highlight the role of the vibrational degrees of freedom in the medium surrounding the dots, including both solvent and ligands. The contributing energy loss mechanisms have been evaluated by developing quantitative models for the nonradiative recombination via (i) polaron states formed by strong coupling of ligand vibration modes to a surface trap state (nonresonant channel) and (ii) resonant energy transfer to vibration modes in the solvent. We conclude that channel (i) is more important than (ii) for HgTe dots in either solution. When some of these modes are removed from the relevant spectral range by the H2O to D2O replacement, the polaron effect becomes weaker and the nonradiative lifetime increases. Comparisons with CdTe quantum dots (QDs) served as a reference where the resonant energy loss (ii) a priori was not a factor, also confirmed by our experiments. The solvent exchange (H2O to D2O), however, is found to slightly increase the overall quantum yield of CdTe samples, probably by increasing the fraction of bright dots in the ensemble. The fundamental study reported here can serve as the foundation for the design and optimization principles of narrow bandgap quantum dots aimed at applications in long wavelength colloidal materials for infrared light emitting diodes and photodetectors.

  9. 76 FR 71919 - Corporate Reorganizations; Allocation of Basis in “All Cash D” Reorganizations

    Science.gov (United States)

    2011-11-21

    ... issuing temporary regulations that provide guidance regarding the determination of the basis of stock or securities in a reorganization where no stock or securities of the issuing corporation is issued and... the share of stock of the issuing corporation to which the basis, if any, of the stock or securities...

  10. Preparation of a Nanoemulsion with Carapa guianensis Aublet (Meliaceae Oil by a Low-Energy/Solvent-Free Method and Evaluation of Its Preliminary Residual Larvicidal Activity

    Directory of Open Access Journals (Sweden)

    Flávia L. M. Jesus

    2017-01-01

    Full Text Available Andiroba (Carapa guianensis seeds are the source of an oil with a wide range of biological activities and ethnopharmacological uses. However, few studies have devoted attention to innovative formulations, including nanoemulsions. The present study aimed to obtain a colloidal system with the andiroba oil using a low-energy and organic-solvent-free method. Moreover, the preliminary residual larvicidal activity of the nanoemulsion against Aedes aegypti was evaluated. Oleic and palmitic acids were the major fatty acids, in addition to the phytosterol β-sitosterol and limonoids (tetranortriterpenoids. The required hydrophile-lipophile was around 11.0 and the optimal nanoemulsion was obtained using polysorbate 85. The particle size distribution suggested the presence of small droplets (mean diameter around 150 nm and low polydispersity index (around 0.150. The effect of temperature on particle size distribution revealed that no major droplet size increase occurred. The preliminary residual larvicidal assay suggested that the mortality increased as a function of time. The present study allowed achievement of a potential bioactive oil in water nanoemulsion that may be a promising controlled release system. Moreover, the ecofriendly approach involved in the preparation associated with the great bioactive potential of C. guianensis makes this nanoemulsion very promising for valorization of this Amazon raw material.

  11. Homeland Security: Scope of the Secretary's Reorganization Authority

    National Research Council Canada - National Science Library

    Vina, Stephen R

    2005-01-01

    ...). Section 872 of the Homeland Security Act gives the Secretary of Homeland Security the authority to reorganize "functions" and "organizational units" within the Department either independently, 60...

  12. Solvents and solvent effects in organic chemistry

    National Research Council Canada - National Science Library

    Reichardt, C; Welton, T

    2011-01-01

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

  13. Organic Solvent Tropical Report

    International Nuclear Information System (INIS)

    COWLEY, W.L.

    2000-01-01

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

  14. Canyon solvent cleaning

    International Nuclear Information System (INIS)

    Reif, D.J.

    1986-01-01

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

  15. Solvent wash solution

    International Nuclear Information System (INIS)

    Neace, J.C.

    1986-01-01

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

  16. Rotational reorganization of doped cholesteric liquid crystalline films

    NARCIS (Netherlands)

    Eelkema, R.; M. Pollard, M.; Katsonis, N.; Vicario, J.; J. Broer, D.; Feringa, B.L.

    2006-01-01

    In this paper an unprecedented rotational reorganization of cholesteric liquid crystalline films is described. This rotational reorganization results from the conversion of a chiral molecular motor dopant to an isomer with a different helical twisting power, leading to a change in the cholesteric

  17. Subcortical functional reorganization due to early blindness.

    Science.gov (United States)

    Coullon, Gaelle S L; Jiang, Fang; Fine, Ione; Watkins, Kate E; Bridge, Holly

    2015-04-01

    Lack of visual input early in life results in occipital cortical responses to auditory and tactile stimuli. However, it remains unclear whether cross-modal plasticity also occurs in subcortical pathways. With the use of functional magnetic resonance imaging, auditory responses were compared across individuals with congenital anophthalmia (absence of eyes), those with early onset (in the first few years of life) blindness, and normally sighted individuals. We find that the superior colliculus, a "visual" subcortical structure, is recruited by the auditory system in congenital and early onset blindness. Additionally, auditory subcortical responses to monaural stimuli were altered as a result of blindness. Specifically, responses in the auditory thalamus were equally strong to contralateral and ipsilateral stimulation in both groups of blind subjects, whereas sighted controls showed stronger responses to contralateral stimulation. These findings suggest that early blindness results in substantial reorganization of subcortical auditory responses. Copyright © 2015 the American Physiological Society.

  18. CONCEPTS OF THE REORGANIZATION OF SERVICE PROCESSES

    Directory of Open Access Journals (Sweden)

    Dóra DOBÁK

    2016-12-01

    Full Text Available In this article the literature based review of the developing of (logistificated business processes and their reorganizations are shown briefly. The research of the service processes is also actual in our time giving work to managers and researches alike. In the narrowing market the increasing competition and the dominance of customers is a warning to the companies to carry out continuous rationalization and reductions of costs in order to increase efficiency. In this essay we would like to show briefly how we started our research primarily concentrating on technical literatures. First of all we concentrate on the improvement assets of processes. We will show some major tendencies in the process of Business Process Amelioration (BPA evolution. The production focused approach of services can mean significant process improvement therefore it is a good analysis method of the process improvement.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  20. A linear solvation energy relationship study for the reactivity of 2-substituted cyclohex-1-enecarboxylic and 2-substituted benzoic acids with diazodiphenylmethane in aprotic and protic solvents

    Directory of Open Access Journals (Sweden)

    JASMINA B. NIKOLIC

    2007-12-01

    Full Text Available The rate constants for the reaction of 2-substituted cyclohex-1-enylcarboxylic acids and the corresponding 2-substituted benzoic acids with diazodiphenyl methane were determined in various aprotic solvents at 30 ºC. In order to explain the kinetic results through solvent effects, the second order rate constants of the reaction of the examined acids were correlated using the Kamlet–Taft solvatechromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis and the solvent effects on the reaction rates were analyzed in terms of the contributions of the initial and transition state. The signs of the equation coefficients support the proposed reaction mechanism. The quantitative relationship between the molecular structure and the chemical reactivity is discussed, as well as the effect of geometry on the reactivity of the examined molecules.

  1. Enhancing Physical Activity and Brain Reorganization after Stroke

    Directory of Open Access Journals (Sweden)

    Janet H. Carr

    2011-01-01

    Full Text Available It is becoming increasingly clear that, if reorganization of brain function is to be optimal after stroke, there needs to be a reorganisation of the methods used in physical rehabilitation and the time spent in specific task practice, strength and endurance training, and aerobic exercise. Frequency and intensity of rehabilitation need to be increased so that patients can gain the energy levels and vigour necessary for participation in physical activity both during rehabilitation and after discharge. It is evident that many patients are discharged from inpatient rehabilitation severely deconditioned, meaning that their energy levels are too low for active participation in daily life. Physicians, therapists, and nursing staff responsible for rehabilitation practice should address this issue not only during inpatient rehabilitation but also after discharge by promoting and supporting community-based exercise opportunities. During inpatient rehabilitation, group sessions should be frequent and need to include specific aerobic training. Physiotherapy must take advantage of the training aids available, including exercise equipment such as treadmills, and of new developments in computerised feedback systems, robotics, and electromechanical trainers. For illustrative purposes, this paper focuses on the role of physiotherapists, but the necessary changes in practice and in attitude will require cooperation from many others.

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

    International Nuclear Information System (INIS)

    Zhou Shiqi

    2005-01-01

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

  3. Reorganization of the human central nervous system.

    Science.gov (United States)

    Schalow, G; Zäch, G A

    2000-10-01

    The key strategies on which the discovery of the functional organization of the central nervous system (CNS) under physiologic and pathophysiologic conditions have been based included (1) our measurements of phase and frequency coordination between the firings of alpha- and gamma-motoneurons and secondary muscle spindle afferents in the human spinal cord, (2) knowledge on CNS reorganization derived upon the improvement of the functions of the lesioned CNS in our patients in the short-term memory and the long-term memory (reorganization), and (3) the dynamic pattern approach for re-learning rhythmic coordinated behavior. The theory of self-organization and pattern formation in nonequilibrium systems is explicitly related to our measurements of the natural firing patterns of sets of identified single neurons in the human spinal premotor network and re-learned coordinated movements following spinal cord and brain lesions. Therapy induced cell proliferation, and maybe, neurogenesis seem to contribute to the host of structural changes during the process of re-learning of the lesioned CNS. So far, coordinated functions like movements could substantially be improved in every of the more than 100 patients with a CNS lesion by applying coordination dynamic therapy. As suggested by the data of our patients on re-learning, the human CNS seems to have a second integrative strategy for learning, re-learning, storing and recalling, which makes an essential contribution of the functional plasticity following a CNS lesion. A method has been developed by us for the simultaneous recording with wire electrodes of extracellular action potentials from single human afferent and efferent nerve fibres of undamaged sacral nerve roots. A classification scheme of the nerve fibres in the human peripheral nervous system (PNS) could be set up in which the individual classes of nerve fibres are characterized by group conduction velocities and group nerve fibre diameters. Natural impulse patterns

  4. Free energy functionals for polarization fluctuations: Pekar factor revisited.

    Science.gov (United States)

    Dinpajooh, Mohammadhasan; Newton, Marshall D; Matyushov, Dmitry V

    2017-02-14

    The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar's perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

  5. Free energy functionals for polarization fluctuations: Pekar factor revisited

    International Nuclear Information System (INIS)

    Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

    2017-01-01

    The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. This separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom, within dielectric continuum models. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. We study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. But, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

  6. Connectome-harmonic decomposition of human brain activity reveals dynamical repertoire re-organization under LSD.

    Science.gov (United States)

    Atasoy, Selen; Roseman, Leor; Kaelen, Mendel; Kringelbach, Morten L; Deco, Gustavo; Carhart-Harris, Robin L

    2017-12-15

    Recent studies have started to elucidate the effects of lysergic acid diethylamide (LSD) on the human brain but the underlying dynamics are not yet fully understood. Here we used 'connectome-harmonic decomposition', a novel method to investigate the dynamical changes in brain states. We found that LSD alters the energy and the power of individual harmonic brain states in a frequency-selective manner. Remarkably, this leads to an expansion of the repertoire of active brain states, suggestive of a general re-organization of brain dynamics given the non-random increase in co-activation across frequencies. Interestingly, the frequency distribution of the active repertoire of brain states under LSD closely follows power-laws indicating a re-organization of the dynamics at the edge of criticality. Beyond the present findings, these methods open up for a better understanding of the complex brain dynamics in health and disease.

  7. Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, Jerome R.; Gordon, Zachary; Booth, Corwin H.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.

    2014-06-24

    Cerium compounds have played vital roles in organic, inorganic, and materials chemistry due to their reversible redox chemistry between trivalent and tetravalent oxidation states. However, attempts to rationally access molecular cerium complexes in both oxidation states have been frustrated by unpredictable reactivity in cerium(III) oxidation chemistry. Such oxidation reactions are limited by steric saturation at the metal ion, which can result in high energy activation barriers for electron transfer. An alternative approach has been realized using a rare earth/alkali metal/1,1'-BINOLate (REMB) heterobimetallic framework, which uses redox-inactive metals within the secondary coordination sphere to control ligand reorganization. The rational syntheses of functionalized cerium(IV) products and a mechanistic examination of the role of ligand reorganization in cerium(III) oxidation are presented.

  8. Prolonged reorganization of thiol-capped Au nanoparticles layered structures

    Directory of Open Access Journals (Sweden)

    Sarathi Kundu

    2013-09-01

    Full Text Available Prolonged reorganization behaviour of mono-, di-, tri- and multi-layer films of Au nanoparticles prepared by Langmuir-Blodgett method on hydrophobic Si(001 substrates have been studied by using X-ray scattering techniques. Out-of-plane study shows that although at the initial stage the reorganization occurs through the compaction of the films keeping the layered structure unchanged but finally all layered structures modify to monolayer structure. Due to this reorganization the Au density increases within the nanometer thick films. In-plane study shows that inside the reorganized films Au nanoparticles are distributed randomly and the particle size modifies as the metallic core of Au nanoparticles coalesces.

  9. Homeland Security: Scope of the Secretary's Reorganization Authority

    National Research Council Canada - National Science Library

    Vina, Stephen R

    2005-01-01

    .... While many of the proposed changes may be effectuated administratively, some might require legislative action due to limits on reorganization authority under the Homeland Security Act of 2002 (P.L. 107-296...

  10. ["Hannibal ante portas" -- technical development and health care reorganization].

    Science.gov (United States)

    Fülesdi, Béla; Velkey, György

    2011-11-20

    Authors intend to analyze the impact of medical technical development on the Hungarian health care system and try to draw attention to potentially necessary measures for professional and structural health care reorganization.

  11. Hazardous solvent substitution

    International Nuclear Information System (INIS)

    Twitchell, K.E.

    1995-01-01

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

  12. Photophysics of Curcumin excited state in toluene-polar solvent mixtures: Role of H-bonding properties of the polar solvent

    Energy Technology Data Exchange (ETDEWEB)

    Saini, R.K.; Das, K., E-mail: kaustuv@rrcat.gov.in

    2014-01-15

    Excited state dynamics of Curcumin in binary solvent mixtures of toluene and polar H-bonding solvents were compared by using an instrument endowed with 40 ps time resolution. The solvation time constant of Curcumin increases significantly (and can therefore be measured) in polar solvents which have, either, both H-bond donating and accepting ability, or, only H-bond donating ability. These results suggest that the rate limiting step in the excited state dynamics of the pigment might be the formation and reorganization of the intermolecular H-bonding between the keto group of the pigment and the H-bond donating moieties of the polar solvent. -- Highlights: • Excited state dynamics of Curcumin in a binary solvent mixture of toluene and three polar H-bonding solvents were compared. • The solvation time constant increases significantly with polar solvents having, H-bond donating and accepting, or, H-bond donating ability. • Observed results suggest that H-bonding property of polar solvent plays an important role in the excited state dynamics. • Intermolecular H-bonding between the keto group of the pigment and polar solvent may be the rate limiting step.

  13. Photophysics of Curcumin excited state in toluene-polar solvent mixtures: Role of H-bonding properties of the polar solvent

    International Nuclear Information System (INIS)

    Saini, R.K.; Das, K.

    2014-01-01

    Excited state dynamics of Curcumin in binary solvent mixtures of toluene and polar H-bonding solvents were compared by using an instrument endowed with 40 ps time resolution. The solvation time constant of Curcumin increases significantly (and can therefore be measured) in polar solvents which have, either, both H-bond donating and accepting ability, or, only H-bond donating ability. These results suggest that the rate limiting step in the excited state dynamics of the pigment might be the formation and reorganization of the intermolecular H-bonding between the keto group of the pigment and the H-bond donating moieties of the polar solvent. -- Highlights: • Excited state dynamics of Curcumin in a binary solvent mixture of toluene and three polar H-bonding solvents were compared. • The solvation time constant increases significantly with polar solvents having, H-bond donating and accepting, or, H-bond donating ability. • Observed results suggest that H-bonding property of polar solvent plays an important role in the excited state dynamics. • Intermolecular H-bonding between the keto group of the pigment and polar solvent may be the rate limiting step

  14. The role of the tunneling matrix element and nuclear reorganization in the design of quantum-dot cellular automata molecules

    Science.gov (United States)

    Henry, Jackson; Blair, Enrique P.

    2018-02-01

    Mixed-valence molecules provide an implementation for a high-speed, energy-efficient paradigm for classical computing known as quantum-dot cellular automata (QCA). The primitive device in QCA is a cell, a structure with multiple quantum dots and a few mobile charges. A single mixed-valence molecule can function as a cell, with redox centers providing quantum dots. The charge configuration of a molecule encodes binary information, and device switching occurs via intramolecular electron transfer between dots. Arrays of molecular cells adsorbed onto a substrate form QCA logic. Individual cells in the array are coupled locally via the electrostatic electric field. This device networking enables general-purpose computing. Here, a quantum model of a two-dot molecule is built in which the two-state electronic system is coupled to the dominant nuclear vibrational mode via a reorganization energy. This model is used to explore the effects of the electronic inter-dot tunneling (coupling) matrix element and the reorganization energy on device switching. A semi-classical reduction of the model also is made to investigate the competition between field-driven device switching and the electron-vibrational self-trapping. A strong electron-vibrational coupling (high reorganization energy) gives rise to self-trapping, which inhibits the molecule's ability to switch. Nonetheless, there remains an expansive area in the tunneling-reorganization phase space where molecules can support adequate tunneling. Thus, the relationship between the tunneling matrix element and the reorganization energy affords significant leeway in the design of molecules viable for QCA applications.

  15. Filming the Birth of Molecules and Accompanying Solvent Rearrangement

    DEFF Research Database (Denmark)

    Lee, Jae Hyuk; Wulff, Michael; Bratos, Savo

    2013-01-01

    Molecules are often born with high energy and large-amplitude vibrations. In solution, a newly formed molecule cools down by transferring energy to the surrounding solvent molecules. The progression of the molecular and solute−solvent cage structure during this fundamental process has been elusiv...

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

    Science.gov (United States)

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

    2017-01-01

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

  17. Solvent - solute interaction

    International Nuclear Information System (INIS)

    Urbanczyk, A.; Kalinowski, M.K.

    1983-01-01

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

  18. Application of volt-chins for determination of ionic components in real and chemical Gibbs transition energies of individual ions from water in aqueous-organic solvents

    International Nuclear Information System (INIS)

    Parfenyuk, V.I.

    2007-01-01

    Thermodynamic description of separate ions (among which is I - ) in individual and mixed solvents is conducted on the basis of the volt potential difference method. Application of the presented methodology serves as one of candidates problem solving of individual ions thermodynamic characterisation in solutions. Validity of application of the volt potential difference method for the determination of ionic components in real and chemical thermodynamic properties of separate ions in solutions as well as surface potential values on the solution-gas phase interfaces is demonstrated [ru

  19. Attachment reorganization following divorce: normative processes and individual differences.

    Science.gov (United States)

    Sbarra, David A; Borelli, Jessica L

    2018-03-21

    This paper uses attachment theory as a lens for reviewing contemporary research on how adults cope with marital separation and loss. The first section of the paper discusses the process of normative attachment reorganization, or the psychology of adaptive grief responses following relationship transitions. We argue that changes two processes, in particular, can be uses to track changes in this normative reorganization process: narrative coherence and self-concept clarity. The second section of the paper suggest that individual differences in attachment anxiety and avoidance shape the variability in this normative reorganization process, largely as a result of the characteristic ways in which these styles organize emotion-regulatory tendencies. The paper closes with a series of integrative questions for future research, including a call for new studies aimed at understanding under what contexts anxiety and avoidance may be adaptive in promoting emotion recovery to separation and divorce experiences. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. Purex process solvent: literature review

    Energy Technology Data Exchange (ETDEWEB)

    Geier, R.G.

    1979-10-01

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

  1. Purex process solvent: literature review

    International Nuclear Information System (INIS)

    Geier, R.G.

    1979-10-01

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

  2. Separation by solvent extraction

    International Nuclear Information System (INIS)

    Holt, C.H. Jr.

    1976-01-01

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

  3. Expediting Scientific Data Analysis with Reorganization of Data

    Energy Technology Data Exchange (ETDEWEB)

    Byna, Surendra; Wu, Kesheng

    2013-08-19

    Data producers typically optimize the layout of data files to minimize the write time. In most cases, data analysis tasks read these files in access patterns different from the write patterns causing poor read performance. In this paper, we introduce Scientific Data Services (SDS), a framework for bridging the performance gap between writing and reading scientific data. SDS reorganizes data to match the read patterns of analysis tasks and enables transparent data reads from the reorganized data. We implemented a HDF5 Virtual Object Layer (VOL) plugin to redirect the HDF5 dataset read calls to the reorganized data. To demonstrate the effectiveness of SDS, we applied two parallel data organization techniques: a sort-based organization on a plasma physics data and a transpose-based organization on mass spectrometry imaging data. We also extended the HDF5 data access API to allow selection of data based on their values through a query interface, called SDS Query. We evaluated the execution time in accessing various subsets of data through existing HDF5 Read API and SDS Query. We showed that reading the reorganized data using SDS is up to 55X faster than reading the original data.

  4. 12 CFR 5.32 - Expedited procedures for certain reorganizations.

    Science.gov (United States)

    2010-01-01

    ... section 3 of the National Bank Consolidation and Merger Act, 12 U.S.C. 215a(a)(2); and (v) Describes any changes to the bank's business plan resulting from the reorganization. (3) Financial and managerial... impact of the proposed affiliation on the financial and managerial resources and future prospects of the...

  5. Ions, solutes and solvents, oh my!

    Energy Technology Data Exchange (ETDEWEB)

    Kemp, Daniel David [Iowa State Univ., Ames, IA (United States)

    2009-08-01

    Modern methods in ab initio quantum mechanics have become efficient and accurate enough to study many gas-phase systems. However, chemists often work in the solution phase. The presence of solvent molecules has been shown to affect reaction mechanisms1, lower reaction energy barriers2, participate in energy transfer with the solute3 and change the physical properties of the solute4. These effects would be overlooked in simple gas phase calculations. Careful study of specific solvents and solutes must be done in order to fully understand the chemistry of the solution phase. Water is a key solvent in chemical and biological applications. The properties of an individual water molecule (a monomer) and the behavior of thousands of molecules (bulk solution) are well known for many solvents. Much is also understood about aqueous microsolvation (small clusters containing ten water molecules or fewer) and the solvation characteristics when bulk water is chosen to solvate a solute. However, much less is known about how these properties behave as the cluster size transitions from the microsolvated cluster size to the bulk. This thesis will focus on species solvated with water clusters that are large enough to exhibit the properties of the bulk but small enough to consist of fewer than one hundred solvent molecules. New methods to study such systems will also be presented.

  6. Reorganization of the Lithuanian State Power System

    International Nuclear Information System (INIS)

    Paskevicius, V.

    1995-01-01

    This article deals with preasent situation in energy sector in Lithuania. All power plants with installed capacity of 2561 MW, except Ignalina Nuclear Power Plant (3000 MW) belongs to Lithuanian State Power System (LSPS) as well transmission and distribution networks. In 1989-1991 Lithuania generated approximately 29TWh of electricity annually from which 12TWh LSPS exported to neighbouring countries. After 1990 in the transitional period from planned economy to the marked one, the economic situation in the country became complicated. The electricity demand has fallen nearly 40%. Due to the similar situation in neighboring countries the electricity export has decreased too. The article presents the distribution of electric power output in 1994 by power plants; electric power consumption and output of power plants in Lithuania from 1940 to 1994 is also included. Some aspects of regional cooperation of tree Baltic countries in energy area is touched too. 3 figs

  7. Organic solvent topical report

    Energy Technology Data Exchange (ETDEWEB)

    Cowley, W.L.

    1998-04-30

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

  8. Organic solvent topical report

    International Nuclear Information System (INIS)

    Cowley, W.L.

    1998-01-01

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

  9. DESIGNING GREENER SOLVENTS

    Science.gov (United States)

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

  10. Mixed Solvent Reactive Recrystallization of Sodium Carbonate

    NARCIS (Netherlands)

    Gaertner, R.S.

    2005-01-01

    Investigation of the reactive recrystallization of trona (sodium sesquicarbonate) and sodium bicarbonate to sodium carbonate (soda) in a mixed solvent led to the design of several alternative, less energy consumptive, economically very attractive process routes for the production of soda from all

  11. 19F NMR spectroscopy in monitoring fluorinated-solvent regeneration

    International Nuclear Information System (INIS)

    Ogorodnikov, V.D.; Bordunov, V.V.

    1987-01-01

    Extensive use is made of solvents such as trichloroethylene, freon-133, and perchloroethylene because they are good solvents for inorganic, plant, and animal greases, while the solvents can be recovered and there is no fire hazard. In this paper, the authors examined methods to monitor spent solution regeneration rapidly and with high accuracy. The authors tested perfluorinated telomeric alcohols as solvents for cleaning engineering components which have melting points of 60-120 degrees celsius. The higher working temperatures and the increased energy consumption are disadvantages of these solvents, but these are compensated for by the scope for using them virtually in the solid, liquid, and vapor states. The authors' proposed technology is based on solvents with melting points over 40 degrees celsius which produce virtually no wastes. The telomeric alcohols are recovered after cooling to normal conditions by separation from the oil by filtration and centrifugation, and they can be used in the next purification cycle. When the solvents have been regenerated, the petroleum products such as industrial oils can be reused for their original purpose. However, quantitative data are required on the solvent contents in the oil and the oil contents in the solvent in order to determine the degree of regeneration and the modes to be used. The authors have also proposed a quantitative method of determining traces of these alcohols in oils and residual oils in the solvent by fluorine NMR. All measurements were made with a BS497 NMR spectrometer

  12. 26 CFR 54.4980B-9 - Business reorganizations and employer withdrawals from multiemployer plans.

    Science.gov (United States)

    2010-04-01

    ...-9 Business reorganizations and employer withdrawals from multiemployer plans. The following... multiemployer plans: Q-1: For purposes of this section, what are a business reorganization, a stock sale, and an... 26 Internal Revenue 17 2010-04-01 2010-04-01 false Business reorganizations and employer...

  13. Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: an accurate correction scheme for electrostatic finite-size effects.

    Science.gov (United States)

    Rocklin, Gabriel J; Mobley, David L; Dill, Ken A; Hünenberger, Philippe H

    2013-11-14

    calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol(-1)). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning.

  14. Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

    Energy Technology Data Exchange (ETDEWEB)

    Rocklin, Gabriel J. [Department of Pharmaceutical Chemistry, University of California San Francisco, 1700 4th St., San Francisco, California 94143-2550, USA and Biophysics Graduate Program, University of California San Francisco, 1700 4th St., San Francisco, California 94143-2550 (United States); Mobley, David L. [Departments of Pharmaceutical Sciences and Chemistry, University of California Irvine, 147 Bison Modular, Building 515, Irvine, California 92697-0001, USA and Department of Chemistry, University of New Orleans, 2000 Lakeshore Drive, New Orleans, Louisiana 70148 (United States); Dill, Ken A. [Laufer Center for Physical and Quantitative Biology, 5252 Stony Brook University, Stony Brook, New York 11794-0001 (United States); Hünenberger, Philippe H., E-mail: phil@igc.phys.chem.ethz.ch [Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, ETH, 8093 Zürich (Switzerland)

    2013-11-14

    -periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol{sup −1}). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pK{sub a} and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning.

  15. Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

    Science.gov (United States)

    Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.

    2013-11-01

    calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol-1). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning.

  16. The impact of low-temperature seasonal aquifer thermal energy storage (SATES) systems on chlorinated solvent contaminated groundwater: Modeling of spreading and degradation

    NARCIS (Netherlands)

    Zuurbier, K.G.; Hartog, N.; Valstar, J.; Post, V.E.A.; Breukelen, B.M. van

    2013-01-01

    Groundwater systems are increasingly used for seasonal aquifer thermal energy storage (SATES) for periodic heating and cooling of buildings. Its use is hampered in contaminated aquifers because of the potential environmental risks associated with the spreading of contaminated groundwater, but

  17. Effects of solvent and structure on the reactivity of 6-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents

    Directory of Open Access Journals (Sweden)

    BRATISLAV Ž. JOVANOVIĆ

    2009-12-01

    Full Text Available The rate constants for the reactions of diazodiphenylmethane (DDM with 6-substituted nicotinic acids in aprotic solvents at 30 °C were determined. The obtained second order rate constants in aprotic solvents, together with literature data for benzoic and nicotinic acids in protic solvents, were used for the calculation of solvent effects, employing the Kamlet-Taft solvatochromic equation (linear solvation energy relationship – LSER in the form: log k = log k0 + s* + a + b. The correlations of the kinetic data were performed by means of multiple linear regression analysis taking appropriate solvent parameters. The sign of the equation coefficients (s, a and b were in agreement with the postulated reaction mechanism, and the mode of the solvent influences on the reaction rate is discussed based on the correlation results. A similar contribution of the non-specific solvent effect and electrophilic solvation was observed for all acids, while the highest contribution of nucleophilic solvation was influenced by their high acidity. Correlation analysis of the rate data with substituent p parameters in an appropriate solvent using the Hammett equation was also performed. The substituent effect on the acid reactivity was higher in aprotic solvents of higher dipolarity/polarizability. The mode of the transmission of the substituent effect is discussed in light of the contribution of solute–solvent interaction on the acid reactivity.

  18. Solvent selection methodology for pharmaceutical processes: Solvent swap

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  19. Improvements in solvent extraction columns

    International Nuclear Information System (INIS)

    Aughwane, K.R.

    1987-01-01

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

  20. Solvent extraction columns

    International Nuclear Information System (INIS)

    Middleton, P.; Smith, J.R.

    1979-01-01

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

  1. Hazardous solvent substitution

    International Nuclear Information System (INIS)

    Twitchell, K.E.

    1995-01-01

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

  2. Workplace Re-organization and Changes in Physiological Stress Markers

    DEFF Research Database (Denmark)

    Carlsson, Rikke Hinge; Hansen, Åse Marie; Kristiansen, Jesper

    2014-01-01

    The aim of this study was to investigate changes in physiological stress markers as a consequence of workplace reorganization. Moreover, we aimed to investigate changes in the psychosocial work environment (job strain, effortreward imbalance (ERI), in psychological distress (stress symptoms......, perceived stress) and the mediating effect of these factors on changes in physiological stress markers. We used data from a longitudinal study that studied the health consequences of a major reorganization of non-state public offices executed in Denmark on 1 January 2007. Collection of clinical...... and questionnaire data was in 2006 and 2008, and in this sub-study we included 359 participants. To reflect stress reactions of the autonomic nervous system, the endocrine system and the immune system, we included 13 physiological markers. We observed significant change in several physiological stress markers...

  3. Proposal and Research Direction of Soil Mass Organic Reorganization

    Science.gov (United States)

    Zhang, Lu; Han, Jichang

    2018-01-01

    Land engineering as a new discipline has been temporarily outrageous. The proposition of soil body organic reorganization undoubtedly enriches the research content for the construction of land engineering disciplines. Soil body organic reconstruction is designed to study how to realize the ecological ecology of the land by studying the external force of nature, to study the influence of sunlight, wind and water on soil body, how to improve the soil physical structure, to further strengthen the research of biological enzymes and microbes, and promote the release and utilization of beneficial inert elements in soil body. The emerging of frontier scientific research issues with soil body organic reorganization to indicate directions for the future development of soil engineering.

  4. Drying induced upright sliding and reorganization of carbon nanotube arrays

    International Nuclear Information System (INIS)

    Li Qingwen; De Paula, Raymond; Zhang Xiefei; Zheng Lianxi; Arendt, Paul N; Mueller, Fred M; Zhu, Y T; Tu Yi

    2006-01-01

    Driven by capillary force, wet carbon nanotube (CNT) arrays have been found to reorganize into cellular structures upon drying. During the reorganization process, individual CNTs are firmly attached to the substrate and have to lie down on the substrate at cell bottoms, forming closed cells. Here we demonstrate that by modifying catalyst structures, the adhesion of CNTs to the substrate can be weakened. Upon drying such CNT arrays, CNTs may slide away from their original sites on the surface and self-assemble into cellular patterns with bottoms open. It is also found that the sliding distance of CNTs increases with array height, and drying millimetre tall arrays leads to the sliding of CNTs over a few hundred micrometres and the eventual self-assembly into discrete islands. By introducing regular vacancies in CNT arrays, CNTs may be manipulated into different patterns

  5. Origin of the correlation between the standard Gibbs energies of ion transfer from water to a hydrophobic ionic liquid and to a molecular solvent

    Czech Academy of Sciences Publication Activity Database

    Langmaier, Jan; Záliš, Stanislav; Samec, Zdeněk; Bovtun, Viktor; Kempa, Martin

    2013-01-01

    Roč. 87, JAN 2013 (2013), s. 591-598 ISSN 0013-4686 R&D Projects: GA ČR GAP206/11/0707 Institutional support: RVO:61388955 ; RVO:68378271 Keywords : ionic liquid s * cyclic voltammetry * standard Gibbs energy of ion transfer Subject RIV: CG - Electrochemistry Impact factor: 4.086, year: 2013

  6. Bilateral reorganization of the dentate gyrus in hippocampal sclerosis

    Science.gov (United States)

    Thom, M; Martinian, L; Catarino, C; Yogarajah, M; Koepp, M J.; Caboclo, L; Sisodiya, S M.

    2009-01-01

    Background: Hippocampal sclerosis (HS) is the most common surgical pathology associated with mesial temporal lobe epilepsy (MTLE). HS is typically characterized by mossy fiber sprouting (MFS) and reorganization of neuropeptide Y (NPY) fiber networks in the dentate gyrus. One potential cause of postoperative seizure recurrence following temporal lobe surgery may be the presence of seizure-associated bilateral hippocampal damage. We aimed to investigate patterns of hippocampal abnormalities in a postmortem series as identified by NPY and dynorphin immunohistochemistry. Methods: Analysis of dentate gyrus fiber reorganization, using dynorphin (to demonstrate MFS) and NPY immunohistochemistry, was carried out in a postmortem epilepsy series of 25 cases (age range 21–96 years). In 9 patients, previously refractory seizures had become well controlled for up to 34 years prior to death. Results: Bilateral MFS or abnormal NPY patterns were seen in 15 patients including those with bilateral symmetric, asymmetric, and unilateral HS by conventional histologic criteria. MFS and NPY reorganization was present in all classical HS cases, more variably in atypical HS, present in both MTLE and non-MTLE syndromes and with seizure histories of up to 92 years, despite seizure remission in some patients. Conclusion: Synaptic reorganization in the dentate gyrus may be a bilateral, persistent process in epilepsy. It is unlikely to be sufficient to generate seizures and more likely to represent a seizure-induced phenomenon. GLOSSARY AED = antiepileptic drug; CA1p = CA1-predominant hippocampal sclerosis; CHS = classical hippocampal sclerosis; EFG = end folium gliosis; EFS = end folium sclerosis; GCD = granule cell dispersion; GCL = granule cell layer; HS = hippocampal sclerosis; MFS = mossy fiber sprouting; MTLE = mesial temporal lobe epilepsy; NPY = neuropeptide Y; ROI = region of interest; SE = status epilepticus; TLE = temporal lobe epilepsy. PMID:19710404

  7. A Structural Knowledge Representation Approach in Emergency Knowledge Reorganization

    OpenAIRE

    Wang, Qingquan; Rong, Lili

    2007-01-01

    Facing complicate problems in emergency responses, decision makers should acquire sufficient background knowledge for efficient decision-making. Emergency knowledge acquired can be a kind of special product that is transferred among emergency decision makers and functional departments. The processing of knowledge product motivates the emergency knowledge decomposition and event-oriented knowledge integration, i.e. knowledge reorganization. Supported by the semantic power of category theory, t...

  8. Experimental evidence of reorganizing landscape under changing climatic forcing

    Science.gov (United States)

    Singh, A.; Tejedor, A.; Zaliapin, I. V.; Reinhardt, L.; Foufoula-Georgiou, E.

    2015-12-01

    Quantification of the dynamics of landscape reorganization under changing climatic forcing is important to understand geomorphic transport laws under transient conditions, assess response of landscapes to external perturbations for future predictive modeling, and for interpreting past climate from stratigraphic record. For such an analysis, however, real landscape observations are limited. To this end, a series of controlled laboratory experiments on evolving landscape were conducted at the St. Anthony Falls laboratory at the University of Minnesota. High resolution elevation data at a temporal resolution of 5 mins and spatial resolution of 0.5 mm were collected as the landscape approached steady state (constant uplift and precipitation rate) and in the transient state (under the same uplift and 5 times precipitation rate). Our results reveal rapid topographic re-organization under a five-fold increase in precipitation with the fluvial regime encroaching into the previously debris dominated regime, widening and aggradation of channels and valleys, and accelerated erosion happening at hillslope scales. To better understand the initiation of the observed reorganization, we perform a connectivity and clustering analysis of the erosional and depositional events, showing strikingly different spatial patterns on landscape evolution under steady-state (SS) and transient-state (TS), even when the time under SS is renormalized to match the total volume of eroded and deposited sediment in TS. Our results suggest a regime shift in the behavior of transport processes on the landscape at the intermediate scales i.e., from supply-limited to transport-limited.

  9. Forelimb training drives transient map reorganization in ipsilateral motor cortex.

    Science.gov (United States)

    Pruitt, David T; Schmid, Ariel N; Danaphongse, Tanya T; Flanagan, Kate E; Morrison, Robert A; Kilgard, Michael P; Rennaker, Robert L; Hays, Seth A

    2016-10-15

    Skilled motor training results in reorganization of contralateral motor cortex movement representations. The ipsilateral motor cortex is believed to play a role in skilled motor control, but little is known about how training influences reorganization of ipsilateral motor representations of the trained limb. To determine whether training results in reorganization of ipsilateral motor cortex maps, rats were trained to perform the isometric pull task, an automated motor task that requires skilled forelimb use. After either 3 or 6 months of training, intracortical microstimulation (ICMS) mapping was performed to document motor representations of the trained forelimb in the hemisphere ipsilateral to that limb. Motor training for 3 months resulted in a robust expansion of right forelimb representation in the right motor cortex, demonstrating that skilled motor training drives map plasticity ipsilateral to the trained limb. After 6 months of training, the right forelimb representation in the right motor cortex was significantly smaller than the representation observed in rats trained for 3 months and similar to untrained controls, consistent with a normalization of motor cortex maps. Forelimb map area was not correlated with performance on the trained task, suggesting that task performance is maintained despite normalization of cortical maps. This study provides new insights into how the ipsilateral cortex changes in response to skilled learning and may inform rehabilitative strategies to enhance cortical plasticity to support recovery after brain injury. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. SOLVENT FIRE BY-PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Walker, D; Samuel Fink, S

    2006-05-22

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

  11. Alternative solvents for post combustion carbon capture

    Energy Technology Data Exchange (ETDEWEB)

    Arachchige, Udara S.P.R. [Telemark University College, Porsgrunn (Norway); Melaaen, Morten C. [Telemark University College, Porsgrunn (Norway); Tel-Tek, Porsgrunn (Norway)

    2013-07-01

    The process model of post combustion chemical absorption is developed in Aspen Plus for both coal and gas fired power plant flue gas treating. The re-boiler energy requirement is considered as the most important factor to be optimized. Two types of solvents, mono-ethylamine (MEA) and di-ethylamine (DEA), are used to implement the model for three different efficiencies. The re-boiler energy requirement for regeneration process is calculated. Temperature and concentration profiles in absorption column are analyzed to understand the model behavior. Re-boiler energy requirement is considerably lower for DEA than MEA as well as impact of corrosion also less in DEA. Therefore, DEA can be recommended as a better solvent for post combustion process for carbon capture plants in fossil fuel fired power industries.

  12. Effects of solvent evaporation conditions on solvent vapor annealed cylinder-forming block polymer thin films

    Science.gov (United States)

    Grant, Meagan; Jakubowski, William; Nelson, Gunnar; Drapes, Chloe; Baruth, A.

    Solvent vapor annealing is a less time and energy intensive method compared to thermal annealing, to direct the self-assembly of block polymer thin films. Periodic nanostructures have applications in ultrafiltration, magnetic arrays, or other structures with nanometer dimensions, driving its continued interest. Our goal is to create thin films with hexagonally packed, perpendicular aligned cylinders of poly(lactide) in a poly(styrene) matrix that span the thickness of the film with low anneal times and low defect densities, all with high reproducibility, where the latter is paramount. Through the use of our computer-controlled, pneumatically-actuated, purpose-built solvent vapor annealing chamber, we have the ability to monitor and control vapor pressure, solvent concentration within the film, and solvent evaporation rate with unprecedented precision and reliability. Focusing on evaporation, we report on two previously unexplored areas, chamber pressure during solvent evaporation and the flow rate of purging gas aiding the evaporation. We will report our exhaustive results following atomic force microscopy analysis of films exposed to a wide range of pressures and flow rates. Reliably achieving well-ordered films, while occurring within a large section of this parameter space, was correlated with high-flow evaporation rates and low chamber pressures. These results have significant implications on other methods of solvent annealing, including ``jar'' techniques.

  13. NMR and Solvent Effect Study on the Thymine-Adenine-Thymine ...

    African Journals Online (AJOL)

    ... discussed about the plotted graphs of relative energies versus dielectric constants of our considered solvents. Thus, we can drastically conclude that the dielectric permittivity of the solvent is a key factor that determines the chemical behavior of DNA in solution. Keywords: TAT sequence; solvent effect; NMR parameters; ...

  14. Solvent effects in chemistry

    CERN Document Server

    Buncel, Erwin

    2015-01-01

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

  15. Porous fiber formation in polymer-solvent system undergoing solvent evaporation

    Science.gov (United States)

    Dayal, Pratyush; Kyu, Thein

    2006-08-01

    Temporal evolution of the fiber morphology during dry spinning has been investigated in the framework of Cahn-Hilliard equation [J. Chem. Phys. 28, 258 (1958)] pertaining to the concentration order parameter or volume fraction given by the Flory-Huggins free energy of mixing [P. J. Flory, Principles of Polymer Chemistry (Cornell University Press, Ithaca, NY, 1953), p. 672] in conjunction with the solvent evaporation rate. To guide the solvent evaporation induced phase separation, equilibrium phase diagram of the starting polymer solution was established on the basis of the Flory-Huggins free energy of mixing. The quasi-steady-state approximation has been adopted to account for the nonconserved nature of the concentration field caused by the solvent loss. The process of solvent evaporation across the fiber skin-air interface was treated in accordance with the classical Fick's law [R. B. Bird et al., Transport Phenomena (J. Wiley, New York, 1960), p. 780]. The simulated morphologies include gradient type, hollow fiber type, bicontinuous type, and host-guest type. The development of these diverse fiber morphologies is explicable in terms of the phase diagram of the polymer solution in a manner dependent on the competition between the phase separation dynamics and rate of solvent evaporation.

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

    International Nuclear Information System (INIS)

    Kandil, A.T.; Ramadan, A.

    1979-01-01

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

  17. INTERACTION BETWEEN MODELS OF THE LIFE CYCLE OF INDUSTRIAL ENTERPRISE AND CYCLE OF ITS REORGANIZATION

    Directory of Open Access Journals (Sweden)

    Chulkov Vitaliy Olegovich

    2012-10-01

    Full Text Available The objective of this scientific research is to develop a theoretical model of organizational and technology-related processes of reorganization of industrial enterprises, as well as their interaction. Multipoint logic notions of growth and interaction phases are used as research methods. The author describes the basic stages of reorganization, the life cycle of industrial enterprises and the cycle of their transformation. The processes are presented as an infographical image that represents a concentric model of interaction. This concentric model represents interaction between two or more phases. The process is entitled infografical modeling on the polyfunctional level. The concentric model moves both clockwise and anti-clockwise. Basic organizational and technological processes of reorganization of industrial enterprises that include decision making in terms of expediency of reorganization, design, construction, and performance of industrial enterprises at full capacity, and further operation of the industrial enterprise are described in the paper. Attainment of this objective, namely, reorganization of an industrial enterprise, involves a huge amount of resources, including labour resources that need interaction with all parties of reorganization; therefore, the concentric model of interaction describing the basic cycle of reorganization, the life cycle of an industrial enterprise and the cycle of its conversion is a trustworthy representation of this process. The proposed concentric model of interaction should be used in the design of organizational and technology-related processes for integrated consideration of reorganization of enterprises required to understand and improve the efficiency of reorganizations and to control the reorganization of industrial facilities.

  18. Solvent extraction of zirconium

    International Nuclear Information System (INIS)

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

    1981-01-01

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

  19. Expanding solvent SAGD in heavy oil reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Govind, P.A. [Society of Petroleum Engineers, Canadian Section, Calgary, AB (Canada)]|[ConocoPhillips Canada Resources Corp., Calgary, AB (Canada); Das, S.; Wheeler, T.J. [Society of Petroleum Engineers, Richardson, TX (United States)]|[ConocoPhillips Co., Houston, TX (United States); Srinivasan, S. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Texas Univ., Austin, TX (United States)

    2008-10-15

    Steam assisted gravity drainage (SAGD) projects have proven effective for the recovery of oil and bitumen. Expanding solvent (ES) SAGD pilot projects have also demonstrated positive results of improved performance. This paper presented the results of a simulation study that investigated several important factors of the ES-SAGD process, including solvent types; concentration; operating pressure; and injection strategy. The objectives of the study were to examine the effectiveness of the ES-SAGD process in terms of production acceleration and energy requirements; to optimize solvent selection; to understand the effect of dilation in unconsolidated oil sands and the directional impact on reservoir parameters and oil production rate in ES-SAGD; and to understand the impact of operating conditions such as pressure, solvent concentration, circulation preheating period and the role of conduction heating and grid size in this process. The advantages of ES-SAGD over SAGD were also outlined. The paper presented results of sensitivity studies that were conducted on these four factors. Conclusions and recommendations for operating strategy were also offered. It was concluded that dilation is an important factor for SAGD performance at high operating pressure. 8 refs., 15 figs.

  20. The reorganization of the nuclear sector in France

    International Nuclear Information System (INIS)

    2001-05-01

    In November 2000, the French ministry of economy, finances and industry presented a project of reorganization of the overall French nuclear sector which aims at grouping together the activities of CEA-Industrie, Cogema and Framatome in a single huge industrial group. This group will comprise two main poles, a purely nuclear one around Cogema and Framatome, and a pole devoted to new technologies with the connector activities of Framatome and the shares of CEA-Industrie in STMicroelectronics. This new group should make a funded turnover of 10 billions of euros with a net result (share of the group) of 500 millions of euros. It will employ 45000 people. (J.S.)

  1. Global Dynamic Numerical Simulations of Plate Tectonic Reorganizations

    Science.gov (United States)

    Morra, G.; Quevedo, L.; Butterworth, N.; Matthews, K. J.; Müller, D.

    2010-12-01

    We use a new numerical approach for global geodynamics to investigate the origin of present global plate motion and to identify the causes of the last two global tectonic reorganizations occurred about 50 and 100 million years ago (Ma) [1]. While the 50 Ma event is the most well-known global plate-mantle event, expressed by the bend in the Hawaiian-Emperor volcanic chain, a prominent plate reorganization at about 100 Ma, although presently little studied, is clearly indicated by a major bend in the fracture zones in the Indian Ocean and by a change in Pacific plate motion [2]. Our workflow involves turning plate reconstructions into surface meshes that are subsequently employed as initial conditions for global Boundary Element numerical models. The tectonic setting that anticipates the reorganizations is processed with the software GPlates, combining the 3D mesh of the paleo-plate morphology and the reconstruction of paleo-subducted slabs, elaborated from tectonic history [3]. All our models involve the entire planetary system, are fully dynamic, have free surface, are characterized by a spectacular computational speed due to the simultaneous use of the multi-pole algorithm and the Boundary Element formulation and are limited only by the use of sharp material property variations [4]. We employ this new tool to unravel the causes of plate tectonic reorganizations, producing and comparing global plate motion with the reconstructed ones. References: [1] Torsvik, T., Müller, R.D., Van der Voo, R., Steinberger, B., and Gaina, C., 2008, Global Plate Motion Frames: Toward a unified model: Reviews in Geophysics, VOL. 46, RG3004, 44 PP., 2008 [2] Wessel, P. and Kroenke, L.W. Pacific absolute plate motion since 145 Ma: An assessment of the fixed hot spot hypothesis. Journal of Geophysical Research, Vol 113, B06101, 2008 [3] L. Quevedo, G. Morra, R. D. Mueller. Parallel Fast Multipole Boundary Element Method for Crustal Dynamics, Proceeding 9th World Congress and 4th Asian

  2. Computing pKa Values in Different Solvents by Electrostatic Transformation.

    Science.gov (United States)

    Rossini, Emanuele; Netz, Roland R; Knapp, Ernst-Walter

    2016-07-12

    We introduce a method that requires only moderate computational effort to compute pKa values of small molecules in different solvents with an average accuracy of better than 0.7 pH units. With a known pKa value in one solvent, the electrostatic transform method computes the pKa value in any other solvent if the proton solvation energy is known in both considered solvents. To apply the electrostatic transform method to a molecule, the electrostatic solvation energies of the protonated and deprotonated molecular species are computed in the two considered solvents using a dielectric continuum to describe the solvent. This is demonstrated for 30 molecules belonging to 10 different molecular families by considering 77 measured pKa values in 4 different solvents: water, acetonitrile, dimethyl sulfoxide, and methanol. The electrostatic transform method can be applied to any other solvent if the proton solvation energy is known. It is exclusively based on physicochemical principles, not using any empirical fetch factors or explicit solvent molecules, to obtain agreement with measured pKa values and is therefore ready to be generalized to other solute molecules and solvents. From the computed pKa values, we obtained relative proton solvation energies, which agree very well with the proton solvation energies computed recently by ab initio methods, and used these energies in the present study.

  3. Magnetic resonance imaging research progress on brain functional reorganization after peripheral nerve injury

    International Nuclear Information System (INIS)

    Wang Weiwei; Liu Hanqiu

    2013-01-01

    In the recent years, with the development of functional magnetic resonance imaging technology the brain plasticity and functional reorganization are hot topics in the central nervous system imaging studies. Brain functional reorganization and rehabilitation after peripheral nerve injury may have certain regularity. In this paper, the progress of brain functional magnetic resonance imaging technology and its applications in the world wide clinical and experimental researches of the brain functional reorganization after peripheral nerve injury is are reviewed. (authors)

  4. Solvent vapor annealing in the molecular regime drastically improves carrier transport in small-molecule thin-film transistors

    KAUST Repository

    Khan, Hadayat Ullah

    2013-04-10

    We demonstrate a new way to investigate and control the solvent vapor annealing of solution-cast organic semiconductor thin films. Solvent vapor annealing of spin-cast films of 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS-Pn) is investigated in situ using quartz crystal microbalance with dissipation (QCM-D) capability, allowing us to monitor both solvent mass uptake and changes in the mechanical rigidity of the film. Using time-resolved grazing incidence wide angle X-ray scattering (GIWAXS) and complementary static atomic force microscopy (AFM), we demonstrate that solvent vapor annealing in the molecular regime can cause significant performance improvements in organic thin film transistors (OTFTs), whereas allowing the solvent to percolate and form a liquid phase results in catastrophic reorganization and dewetting of the film, making the process counterproductive. Using these lessons we devise processing conditions which prevent percolation of the adsorbed solvent vapor molecules for extended periods, thus extending the benefits of solvent vapor annealing and improving carrier mobility by nearly two orders of magnitude. Ultimately, it is demonstrated that QCM-D is a very powerful sensor of the state of the adsorbed solvent as well as the thin film, thus making it suitable for process development as well as in-line process monitoring both in laboratory and in future manufacturing settings. © 2013 American Chemical Society.

  5. Solvent vapor annealing in the molecular regime drastically improves carrier transport in small-molecule thin-film transistors

    KAUST Repository

    Khan, Hadayat Ullah; Li, Ruipeng; Ren, Yi; Chen, Long; Payne, Marcia M.; Bhansali, Unnat Sampatraj; Smilgies, Detlef Matthias; Anthony, John Edward; Amassian, Aram

    2013-01-01

    We demonstrate a new way to investigate and control the solvent vapor annealing of solution-cast organic semiconductor thin films. Solvent vapor annealing of spin-cast films of 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS-Pn) is investigated in situ using quartz crystal microbalance with dissipation (QCM-D) capability, allowing us to monitor both solvent mass uptake and changes in the mechanical rigidity of the film. Using time-resolved grazing incidence wide angle X-ray scattering (GIWAXS) and complementary static atomic force microscopy (AFM), we demonstrate that solvent vapor annealing in the molecular regime can cause significant performance improvements in organic thin film transistors (OTFTs), whereas allowing the solvent to percolate and form a liquid phase results in catastrophic reorganization and dewetting of the film, making the process counterproductive. Using these lessons we devise processing conditions which prevent percolation of the adsorbed solvent vapor molecules for extended periods, thus extending the benefits of solvent vapor annealing and improving carrier mobility by nearly two orders of magnitude. Ultimately, it is demonstrated that QCM-D is a very powerful sensor of the state of the adsorbed solvent as well as the thin film, thus making it suitable for process development as well as in-line process monitoring both in laboratory and in future manufacturing settings. © 2013 American Chemical Society.

  6. 7 CFR 4290.470 - Prior approval of merger, consolidation, or reorganization of RBIC.

    Science.gov (United States)

    2010-01-01

    ... merge, consolidate, change form of organization (corporation, limited liability company, or limited partnership) or reorganize without the Secretary's prior written approval. Any such merger, consolidation, or...

  7. Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Shenggao, E-mail: sgzhou@suda.edu.cn, E-mail: bli@math.ucsd.edu [Department of Mathematics and Mathematical Center for Interdiscipline Research, Soochow University, 1 Shizi Street, Jiangsu, Suzhou 215006 (China); Sun, Hui; Cheng, Li-Tien [Department of Mathematics, University of California, San Diego, La Jolla, California 92093-0112 (United States); Dzubiella, Joachim [Soft Matter and Functional Materials, Helmholtz-Zentrum Berlin, 14109 Berlin, Germany and Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Li, Bo, E-mail: sgzhou@suda.edu.cn, E-mail: bli@math.ucsd.edu [Department of Mathematics and Quantitative Biology Graduate Program, University of California, San Diego, La Jolla, California 92093-0112 (United States); McCammon, J. Andrew [Department of Chemistry and Biochemistry, Department of Pharmacology, Howard Hughes Medical Institute, University of California, San Diego, La Jolla, California 92093-0365 (United States)

    2016-08-07

    Recent years have seen the initial success of a variational implicit-solvent model (VISM), implemented with a robust level-set method, in capturing efficiently different hydration states and providing quantitatively good estimation of solvation free energies of biomolecules. The level-set minimization of the VISM solvation free-energy functional of all possible solute-solvent interfaces or dielectric boundaries predicts an equilibrium biomolecular conformation that is often close to an initial guess. In this work, we develop a theory in the form of Langevin geometrical flow to incorporate solute-solvent interfacial fluctuations into the VISM. Such fluctuations are crucial to biomolecular conformational changes and binding process. We also develop a stochastic level-set method to numerically implement such a theory. We describe the interfacial fluctuation through the “normal velocity” that is the solute-solvent interfacial force, derive the corresponding stochastic level-set equation in the sense of Stratonovich so that the surface representation is independent of the choice of implicit function, and develop numerical techniques for solving such an equation and processing the numerical data. We apply our computational method to study the dewetting transition in the system of two hydrophobic plates and a hydrophobic cavity of a synthetic host molecule cucurbit[7]uril. Numerical simulations demonstrate that our approach can describe an underlying system jumping out of a local minimum of the free-energy functional and can capture dewetting transitions of hydrophobic systems. In the case of two hydrophobic plates, we find that the wavelength of interfacial fluctuations has a strong influence to the dewetting transition. In addition, we find that the estimated energy barrier of the dewetting transition scales quadratically with the inter-plate distance, agreeing well with existing studies of molecular dynamics simulations. Our work is a first step toward the

  8. Lipid reorganization induced by Shiga toxin clustering on planar membranes.

    Directory of Open Access Journals (Sweden)

    Barbara Windschiegl

    Full Text Available The homopentameric B-subunit of bacterial protein Shiga toxin (STxB binds to the glycolipid Gb(3 in plasma membranes, which is the initial step for entering cells by a clathrin-independent mechanism. It has been suggested that protein clustering and lipid reorganization determine toxin uptake into cells. Here, we elucidated the molecular requirements for STxB induced Gb(3 clustering and for the proposed lipid reorganization in planar membranes. The influence of binding site III of the B-subunit as well as the Gb(3 lipid structure was investigated by means of high resolution methods such as fluorescence and scanning force microscopy. STxB was found to form protein clusters on homogenous 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC/cholesterol/Gb(3 (65:30:5 bilayers. In contrast, membranes composed of DOPC/cholesterol/sphingomyelin/Gb(3 (40:35:20:5 phase separate into a liquid ordered and liquid disordered phase. Dependent on the fatty acid composition of Gb(3, STxB-Gb(3 complexes organize within the liquid ordered phase upon protein binding. Our findings suggest that STxB is capable of forming a new membrane phase that is characterized by lipid compaction. The significance of this finding is discussed in the context of Shiga toxin-induced formation of endocytic membrane invaginations.

  9. From network structure to network reorganization: implications for adult neurogenesis

    International Nuclear Information System (INIS)

    Schneider-Mizell, Casey M; Zochowski, Michal R; Sander, Leonard M; Parent, Jack M; Ben-Jacob, Eshel

    2010-01-01

    Networks can be dynamical systems that undergo functional and structural reorganization. One example of such a process is adult hippocampal neurogenesis, in which new cells are continuously born and incorporate into the existing network of the dentate gyrus region of the hippocampus. Many of these introduced cells mature and become indistinguishable from established neurons, joining the existing network. Activity in the network environment is known to promote birth, survival and incorporation of new cells. However, after epileptogenic injury, changes to the connectivity structure around the neurogenic niche are known to correlate with aberrant neurogenesis. The possible role of network-level changes in the development of epilepsy is not well understood. In this paper, we use a computational model to investigate how the structural and functional outcomes of network reorganization, driven by addition of new cells during neurogenesis, depend on the original network structure. We find that there is a stable network topology that allows the network to incorporate new neurons in a manner that enhances activity of the persistently active region, but maintains global network properties. In networks having other connectivity structures, new cells can greatly alter the distribution of firing activity and destroy the initial activity patterns. We thus find that new cells are able to provide focused enhancement of network only for small-world networks with sufficient inhibition. Network-level deviations from this topology, such as those caused by epileptogenic injury, can set the network down a path that develops toward pathological dynamics and aberrant structural integration of new cells

  10. Reorganization of the power distribution sector in India

    International Nuclear Information System (INIS)

    Dossani, Rafiq

    2004-01-01

    This paper presents the central issues for electricity-sector reform in India, as they grew out of the reform process that began in 1991, and within the context of the sector's organization, regulatory structure, and other institutional characteristics. The paper argues that India's current reform policies will not be sufficient to achieve reliable, efficient power because distribution reform has not been done. Undertaking distribution reform is a difficult path to tread because of the absence of global consensus on best practices and conflicting forces, both economic and political. The paper analyzes alternative institutional structures for reform in the distribution sector. The findings include that the objectives of coverage and efficiency may conflict, that economically efficient reorganization may be politically unachievable and that the small, municipally owned firm may be the best compromise. Since many Indian states are economically and politically diverse from each other, and include both large served and unserved areas, there is scope to vary the organizational structure depending on the state's situation. This paper provides a means to do so. The agenda for policymakers is to identify the situation in their respective states and choose a reorganization path that is the best compromise

  11. Reorganizing Complex Network to Improve Large-Scale Multiagent Teamwork

    Directory of Open Access Journals (Sweden)

    Yang Xu

    2014-01-01

    Full Text Available Large-scale multiagent teamwork has been popular in various domains. Similar to human society infrastructure, agents only coordinate with some of the others, with a peer-to-peer complex network structure. Their organization has been proven as a key factor to influence their performance. To expedite team performance, we have analyzed that there are three key factors. First, complex network effects may be able to promote team performance. Second, coordination interactions coming from their sources are always trying to be routed to capable agents. Although they could be transferred across the network via different paths, their sources and sinks depend on the intrinsic nature of the team which is irrelevant to the network connections. In addition, the agents involved in the same plan often form a subteam and communicate with each other more frequently. Therefore, if the interactions between agents can be statistically recorded, we are able to set up an integrated network adjustment algorithm by combining the three key factors. Based on our abstracted teamwork simulations and the coordination statistics, we implemented the adaptive reorganization algorithm. The experimental results briefly support our design that the reorganized network is more capable of coordinating heterogeneous agents.

  12. Anthropogenic Reorganization of Critical Zone in Intensively Managed Landscapes

    Science.gov (United States)

    Kumar, P.; Anders, A. M.; Bettis, E. A., III; Blair, N. E.; Filley, T. R.; Grimley, D. A.; Le, P. V.; Lin, H.; Lin, Y. F. F.; Keefer, D. A.; Keefer, L. L.; Muste, M.; Packman, A. I.; Papanicolaou, T.; Rhoads, B. L.; Richardson, M.; Schnoebelen, D. J.; Stumpf, A.; Ward, A. S.; Wilson, C. G.; Woo, D.; Yan, Q.; Goodwell, A. E.

    2016-12-01

    Intensification of industrial agricultural practices has resulted in some of the most profound global impacts in the Anthropocene. These include eutrophication of lakes, rivers, and oceans from nutrient loading, degradation of arable land from the loss of fertile organic soils through erosion, and loss and degradation of soil organic matter from mechanical impacts on the soil, among others. As we prepare to feed additional 2 billion people by 2050 along with the emerging practices of farming for bioenergy production, these practices will intensify further whose goal is to overcome bio-geo-physical rate limitations and rate limiting states to enhance agricultural productivity. These rate-enhancing efforts generally target the fast response production processes, creating an imbalance with the slower assimilative processes in the Critical Zone that cascade through complex inter-dependencies across carbon, soil, water, nutrient and ecological systems. These imbalances modify stores and create gradients for flux, which over time reorganize the landscape, both in structure and function. In this presentation we show how these reorganizations are occurring in the Critical Zone of intensively managed landscapes, and argue that an integrated understanding of such profound changes are necessary for developing sustainable solutions for maintaining agricultural productivity and mitigating agriculture based environmental impacts.

  13. The solvent absorption-extractive distillation (SAED) process for ethanol recovery from gas/vapor streams

    Energy Technology Data Exchange (ETDEWEB)

    Dale, M.C.

    1993-12-31

    A low energy system for ethanol recovery and dehydration has been developed. This system utilizes a solvent for (1) absorption of ethanol vapors, and then the same solvent for (2) extractive distillation. The ideal solvent for this process would have a high affinity for ethanol, and no affinity for water. Heavy alcohols such as dodecanol, and tridecanol, some phosphorals, and some fatty acids have been determined to meet the desired specifications. These solvents have the effect of making water more volatile than ethanol. Thus, a water stream is taken off initially in the dehydration column, and a near anhydrous ethanol stream is recovered from the ethanol/solvent stripper column. Thus the solvent serves dual uses (1) absorption media, and (2) dehydration media. The SAED process as conceptualized would use a solvent similar to solvents used for direct extractive separation of ethanol from aqueous ethanol solutions.

  14. Selective solvent extraction of oils

    Energy Technology Data Exchange (ETDEWEB)

    1938-04-09

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

  15. Selection and design of solvents

    DEFF Research Database (Denmark)

    Gani, Rafiqul

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

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

    International Nuclear Information System (INIS)

    Auchapt, J.M.; Tostain, Jacqueline.

    1975-07-01

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

  17. Cesium Concentration in MCU Solvent

    International Nuclear Information System (INIS)

    Walker, D

    2006-01-01

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

  18. Solvent properties of hydrazine in the preparation of metal chalcogenide bulk materials and films.

    Science.gov (United States)

    Yuan, Min; Mitzi, David B

    2009-08-21

    A combination of unique solvent properties of hydrazine enables the direct dissolution of a range of metal chalcogenides at ambient temperature, rendering this an extraordinarily simple and soft synthetic approach to prepare new metal chalcogenide-based materials. The extended metal chalcogenide parent framework is broken up during this process, and the resulting metal chalcogenide building units are re-organized into network structures (from 0D to 3D) based upon their interactions with the hydrazine/hydrazinium moieties. This Perspective will review recent crystal and materials chemistry developments within this family of compounds and will briefly discuss the utility of this approach in metal chalcogenide thin-film deposition.

  19. The excitatory/inhibitory input to orexin/hypocretin neuron soma undergoes day/night reorganization.

    Science.gov (United States)

    Laperchia, Claudia; Imperatore, Roberta; Azeez, Idris A; Del Gallo, Federico; Bertini, Giuseppe; Grassi-Zucconi, Gigliola; Cristino, Luigia; Bentivoglio, Marina

    2017-11-01

    Orexin (OX)/hypocretin-containing neurons are main regulators of wakefulness stability, arousal, and energy homeostasis. Their activity varies in relation to the animal's behavioral state. We here tested whether such variation is subserved by synaptic plasticity phenomena in basal conditions. Mice were sacrificed during day or night, at times when sleep or wake, respectively, predominates, as assessed by electroencephalography in matched mice. Triple immunofluorescence was used to visualize OX-A perikarya and varicosities containing the vesicular glutamate transporter (VGluT)2 or the vesicular GABA transporter (VGAT) combined with synaptophysin (Syn) as a presynaptic marker. Appositions on OX-A + somata were quantitatively analyzed in pairs of sections in epifluorescence and confocal microscopy. The combined total number of glutamatergic (Syn + /VGluT2 + ) and GABAergic (Syn + /VGAT + ) varicosities apposed to OX-A somata was similar during day and night. However, glutamatergic varicosities were significantly more numerous at night, whereas GABAergic varicosities prevailed in the day. Triple immunofluorescence in confocal microscopy was employed to visualize synapse scaffold proteins as postsynaptic markers and confirmed the nighttime prevalence of VGluT2 + together with postsynaptic density protein 95 + excitatory contacts, and daytime prevalence of VGAT + together with gephyrin + inhibitory contacts, while also showing that they formed synapses on OX-A + cell bodies. The findings reveal a daily reorganization of axosomatic synapses in orexinergic neurons, with a switch from a prevalence of excitatory innervation at a time corresponding to wakefulness to a prevalence of inhibitory innervations in the antiphase, at a time corresponding to sleep. This reorganization could represent a key mechanism of plasticity of the orexinergic network in basal conditions.

  20. Processing of polymers using reactive solvents

    NARCIS (Netherlands)

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

    1997-01-01

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

  1. Next Generation Solvent Development for Caustic-Side Solvent Extraction of Cesium

    Energy Technology Data Exchange (ETDEWEB)

    Moyer, Bruce A. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Birdwell, Joseph F. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Bonnesen, Peter V. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Bruffey, Stephanie [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

    2014-03-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Moyer, Bruce A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Birdwell, Jr, Joseph F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bonnesen, Peter V. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bruffey, Stephanie H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Delmau, Laetitia Helene [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Duncan, Nathan C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Ensor, Dale [Tennessee Technological Univ., Cookeville, TN (United States); Hill, Talon G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lee, Denise L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Rajbanshi, Arbin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Roach, Benjamin D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Szczygiel, Patricia L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Sloop, Jr., Frederick V. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Stoner, Erica L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Williams, Neil J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2014-03-01

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

  3. 77 FR 55182 - Reorganization of Foreign-Trade Zone 151 Under Alternative Site Framework Findlay, Ohio

    Science.gov (United States)

    2012-09-07

    ... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [Order No. 1855] Reorganization of Foreign-Trade... option for the establishment or reorganization of zones; Whereas, the Findlay/Hancock County Chamber of Commerce, grantee of Foreign-Trade Zone 151, submitted an application to the Board (FTZ Docket 20-2012...

  4. Limitations to Plasticity of Language Network Reorganization in Localization Related Epilepsy

    Science.gov (United States)

    Mbwana, J.; Berl, M. M.; Ritzl, E. K.; Rosenberger, L.; Mayo, J.; Weinstein, S.; Conry, J. A.; Pearl, P. L.; Shamim, S.; Moore, E. N.; Sato, S.; Vezina, L. G.; Theodore, W. H.; Gaillard, W. D.

    2009-01-01

    Neural networks for processing language often are reorganized in patients with epilepsy. However, the extent and location of within and between hemisphere re-organization are not established. We studied 45 patients, all with a left hemisphere seizure focus (mean age 22.8, seizure onset 13.3), and 19 normal controls (mean age 24.8) with an fMRI…

  5. Handbook of organic solvent properties

    CERN Document Server

    Smallwood, Ian

    2012-01-01

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

  6. Acetone-based cellulose solvent.

    Science.gov (United States)

    Kostag, Marc; Liebert, Tim; Heinze, Thomas

    2014-08-01

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

  7. Protein degradation during reconsolidation as a mechanism for memory reorganization

    Directory of Open Access Journals (Sweden)

    Bong-Kiun Kaang

    2011-02-01

    Full Text Available Memory is a reference formed from a past experience that is used to respond to present situations. However, the world is dynamic and situations change, so it is important to update the memory with new information each time it is reactivated in order to adjust the response in the future. Recent researches indicate that memory may undergo a dynamic process that could work as an updating mechanism. This process which is called reconsolidation involves destabilization of the memory after it is reactivated, followed by restabilization. Recently, it has been demonstrated that the initial destabilization process of reconsolidation requires protein degradation. Using protein degradation inhibition as a method to block reconsolidation, recent researches suggest that reconsolidation, especially the protein degradation-dependent destabilization process is necessary for memory reorganization.

  8. 300 area solvent evaporator interim status closure plan: Revision 2

    International Nuclear Information System (INIS)

    1989-02-01

    This document describes activities for the closure of a hazardous waste tank treatment facility operated by the US Department of Energy-Richland Operations Office (DOE-RL) and co-operated by the Westinghouse Hanford Company (WHC). This treatment facility was a solvent evaporator located in the 300 Area of the Hanford Site, from 1975 to 1985 on behalf of DOE-RL. The 300 Area Solvent Evaporator (300 ASE) was a modified load lugger (dumpster) in which solvent wastes were evaporated. Some of the solvents were radioactively contaminated because they came from a degreaser which processed bare uranium metal billets from the N Reactor Fuel Manufacturing Facility. The waste was composed of perchloroethylene, trichloroethylene, 1,1,1-trichloroethane, ethyl acetate/bromine solution, paint shop solvents and possibly some used oil. Also, small amounts of uranium, copper, zirconium and possibly beryllium were present in the degreaser solvents as particulates. Radioactive and non-radioactive solvents were not segregated in the 300 ASE, and the entire mixture was regarded as mixed waste

  9. Ultrasonic aqueous cleaning as a replacement for chlorinated solvent cleaning

    International Nuclear Information System (INIS)

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

    1992-01-01

    The Oak Ridge Y-12 Plant has been involved in the replacement of chlorinated solvents since 1982. One of the most successful replacement efforts has been the substitution of vapor degreasers or soak tanks using chlorinated solvents with ultrasonic cleaning using aqueous detergents. Recently, funding was obtained from the Department of Energy Office (DOE) of Technology Development to demonstrate this technology. A unit has been procured and installed in the vacuum pump shop area to replace the use of a solvent soak tank. Initially, the solvents used in the shop were CFC-113 and a commercial brand cleaner which contained both perchloroethylene and methylene chloride. While the ultrasonic unit was being procured, a terpene-based solvent was used. Generally, parts were soaked overnight in order to soften baked-on vanish. Many times, wire brushing was used to help remove remaining contamination. Initial testing with the ultrasonic cleaner indicated cleaning times of 20 min were as effective as the overnight solvent soaks in removing contamination. Wire brushing was also not required following the ultrasonic cleaning as was sometimes required with the solvent soak

  10. Analysis of Septin Reorganization at Cytokinesis Using Polarized Fluorescence Microscopy

    Directory of Open Access Journals (Sweden)

    Molly McQuilken

    2017-05-01

    Full Text Available Septins are conserved filament-forming proteins that act in diverse cellular processes. They closely associate with membranes and, in some systems, components of the cytoskeleton. It is not well understood how filaments assemble into higher-order structures in vivo or how they are remodeled throughout the cell cycle. In the budding yeast S. cerevisiae, septins are found through most of the cell cycle in an hourglass organization at the mother-bud neck until cytokinesis when the collar splits into two rings that disassemble prior to the next cell cycle. Experiments using polarized fluorescence microscopy have suggested that septins are arranged in ordered, paired filaments in the hourglass and undergo a coordinated 90° reorientation during splitting at cytokinesis. This apparent reorganization could be due to two orthogonal populations of filaments disassembling and reassembling or being preferentially retained at cytokinesis. In support of this idea, we report a decrease in septin concentration at the mother-bud neck during cytokinesis consistent with other reports and the timing of the decrease depends on known septin regulators including the Gin4 kinase. We took a candidate-based approach to examine what factors control reorientation during splitting and used polarized fluorescence microscopy to screen mutant yeast strains deficient in septin interacting proteins. Using this method, we have linked known septin regulators to different aspects of the assembly, stability, and reorganization of septin assemblies. The data support that ring splitting requires Gin4 activity and an anillin-like protein Bud4, and normal accumulation of septins at the ring requires phosphorylation of Shs1. We found distinct regulatory requirements for septin organization in the hourglass compared to split rings. We propose that septin subpopulations can vary in their localization and assembly/disassembly behavior in a cell-cycle dependent manner at cytokinesis.

  11. Cortical Reorganization in Dual Innervation by Single Peripheral Nerve.

    Science.gov (United States)

    Zheng, Mou-Xiong; Shen, Yun-Dong; Hua, Xu-Yun; Hou, Ao-Lin; Zhu, Yi; Xu, Wen-Dong

    2017-09-21

    Functional recovery after peripheral nerve injury and repair is related with cortical reorganization. However, the mechanism of innervating dual targets by 1 donor nerve is largely unknown. To investigate the cortical reorganization when the phrenic nerve simultaneously innervates the diaphragm and biceps. Total brachial plexus (C5-T1) injury rats were repaired by phrenic nerve-musculocutaneous nerve transfer with end-to-side (n = 15) or end-to-end (n = 15) neurorrhaphy. Brachial plexus avulsion (n = 5) and sham surgery (n = 5) rats were included for control. Behavioral observation, electromyography, and histologic studies were used for confirming peripheral nerve reinnervation. Cortical representations of the diaphragm and reinnervated biceps were studied by intracortical microstimulation techniques before and at months 0.5, 3, 5, 7, and 10 after surgery. At month 0.5 after complete brachial plexus injury, the motor representation of the injured forelimb disappeared. The diaphragm representation was preserved in the "end-to-side" group but absent in the "end-to-end" group. Rhythmic contraction of biceps appeared in "end-to-end" and "end-to-side" groups, and the biceps representation reappeared in the original biceps and diaphragm areas at months 3 and 5. At month 10, it was completely located in the original biceps area in the "end-to-end" group. Part of the biceps representation remained in the original diaphragm area in the "end-to-side" group. Destroying the contralateral motor cortex did not eliminate respiration-related contraction of biceps. The brain tends to resume biceps representation from the original diaphragm area to the original biceps area following phrenic nerve transfer. The original diaphragm area partly preserves reinnervated biceps representation after end-to-side transfer. Copyright © 2017 by the Congress of Neurological Surgeons

  12. Large-Scale Functional Brain Network Reorganization During Taoist Meditation.

    Science.gov (United States)

    Jao, Tun; Li, Chia-Wei; Vértes, Petra E; Wu, Changwei Wesley; Achard, Sophie; Hsieh, Chao-Hsien; Liou, Chien-Hui; Chen, Jyh-Horng; Bullmore, Edward T

    2016-02-01

    Meditation induces a distinct and reversible mental state that provides insights into brain correlates of consciousness. We explored brain network changes related to meditation by graph theoretical analysis of resting-state functional magnetic resonance imaging data. Eighteen Taoist meditators with varying levels of expertise were scanned using a within-subjects counterbalanced design during resting and meditation states. State-related differences in network topology were measured globally and at the level of individual nodes and edges. Although measures of global network topology, such as small-worldness, were unchanged, meditation was characterized by an extensive and expertise-dependent reorganization of the hubs (highly connected nodes) and edges (functional connections). Areas of sensory cortex, especially the bilateral primary visual and auditory cortices, and the bilateral temporopolar areas, which had the highest degree (or connectivity) during the resting state, showed the biggest decrease during meditation. Conversely, bilateral thalamus and components of the default mode network, mainly the bilateral precuneus and posterior cingulate cortex, had low degree in the resting state but increased degree during meditation. Additionally, these changes in nodal degree were accompanied by reorganization of anatomical orientation of the edges. During meditation, long-distance longitudinal (antero-posterior) edges increased proportionally, whereas orthogonal long-distance transverse (right-left) edges connecting bilaterally homologous cortices decreased. Our findings suggest that transient changes in consciousness associated with meditation introduce convergent changes in the topological and spatial properties of brain functional networks, and the anatomical pattern of integration might be as important as the global level of integration when considering the network basis for human consciousness.

  13. Unilateral hearing during development: hemispheric specificity in plastic reorganizations

    Directory of Open Access Journals (Sweden)

    Andrej eKral

    2013-11-01

    Full Text Available The present study investigates the hemispheric contributions of neuronal reorganization following early single-sided hearing (unilateral deafness. The experiments were performed on ten cats from our colony of deaf white cats. Two were identified in early hearing screening as unilaterally congenitally deaf. The remaining eight were bilaterally congenitally deaf, unilaterally implanted at different ages with a cochlear implant. Implanted animals were chronically stimulated using a single-channel portable signal processor for two to five months. Microelectrode recordings were performed at the primary auditory cortex under stimulation at the hearing and deaf ear with bilateral cochlear implants. Local field potentials (LFPs were compared at the cortex ipsilateral and contralateral to the hearing ear. The focus of the study was on the morphology and the onset latency of the LFPs. The data revealed that effects of hearing experience were more pronounced when stimulating the hearing ear. With respect to morphology of LFPs, pronounced hemisphere-specific effects were observed. Morphology of amplitude-normalized LFPs for stimulation of the deaf and the hearing ear was similar for responses recorded at the same hemisphere. However, when comparisons were performed between the hemispheres, the morphology was more dissimilar even though the same ear was stimulated. This demonstrates hemispheric specificity of some cortical adaptations irrespective of the ear stimulated. The results suggest a specific adaptation process at the hemisphere ipsilateral to the hearing ear, involving specific (down-regulated inhibitory mechanisms not found in the contralateral hemisphere. Finally, onset latencies revealed that the sensitive period for the cortex ipsilateral to the hearing ear is shorter than that for the contralateral cortex. Unilateral hearing experience leads to a functionally-asymmetric brain with different neuronal reorganizations and different sensitive

  14. Unilateral hearing during development: hemispheric specificity in plastic reorganizations.

    Science.gov (United States)

    Kral, Andrej; Heid, Silvia; Hubka, Peter; Tillein, Jochen

    2013-01-01

    The present study investigates the hemispheric contributions of neuronal reorganization following early single-sided hearing (unilateral deafness). The experiments were performed on ten cats from our colony of deaf white cats. Two were identified in early hearing screening as unilaterally congenitally deaf. The remaining eight were bilaterally congenitally deaf, unilaterally implanted at different ages with a cochlear implant. Implanted animals were chronically stimulated using a single-channel portable signal processor for two to five months. Microelectrode recordings were performed at the primary auditory cortex under stimulation at the hearing and deaf ear with bilateral cochlear implants. Local field potentials (LFPs) were compared at the cortex ipsilateral and contralateral to the hearing ear. The focus of the study was on the morphology and the onset latency of the LFPs. With respect to morphology of LFPs, pronounced hemisphere-specific effects were observed. Morphology of amplitude-normalized LFPs for stimulation of the deaf and the hearing ear was similar for responses recorded at the same hemisphere. However, when comparisons were performed between the hemispheres, the morphology was more dissimilar even though the same ear was stimulated. This demonstrates hemispheric specificity of some cortical adaptations irrespective of the ear stimulated. The results suggest a specific adaptation process at the hemisphere ipsilateral to the hearing ear, involving specific (down-regulated inhibitory) mechanisms not found in the contralateral hemisphere. Finally, onset latencies revealed that the sensitive period for the cortex ipsilateral to the hearing ear is shorter than that for the contralateral cortex. Unilateral hearing experience leads to a functionally-asymmetric brain with different neuronal reorganizations and different sensitive periods involved.

  15. The solvent effects on dimethyl phthalate investigated by FTIR characterization, solvent parameter correlation and DFT computation

    Science.gov (United States)

    Chen, Yi; Zhang, Hui; Zhou, Wenzhao; Deng, Chao; Liao, Jian

    2018-06-01

    This study set out with the aim of investigating the solvent effects on dimethyl phthalate (DMP) using FTIR characterization, solvent parameter correlation and DFT calculation. DMP exposed to 17 organic solvents manifested varying shift in the carbonyl stretching vibration frequency (νCdbnd O). Non-alkanols induced Band I and alkanols produced Band I and Band II. Through correlating the νCdbnd O with the empirical solvent scales including acceptor parameter (AN), Schleyer's linear free energy parameter (G), and linear free salvation energy relationships (LSER), Band I was mainly ascribed to non-specific effects from either non-alkanols or alkanol polymers ((alkanol)n). νCdbnd O of the latter indicated minor red shift and less variability compared to the former. An assumption was made and validated about the sequestering of hydroxyl group by the bulky hydrophobic chain in (alkanol)n, creating what we refer to as "screening effects". Ab initio calculation, on the other hand, provided insights for possible hydrogen binding between DMP and (ethanol)n or between ethanol monomers. The two components of Band I observed in inert solvents were assigned to the two Cdbnd O groups adopting differentiated conformations. This in turn prompted our consideration that hydrogen binding was highly selective in favor of lowly associated (alkanol)n and the particular Cdbnd O group having relatively less steric hindrance and stronger electron-donating capacity. Band II was therefore believed to derive from hydrogen-bond interactions mainly in manner of 1:1 and 1:2 DMP-(alkanol)n complexes.

  16. Uranium refining by solvent extraction

    International Nuclear Information System (INIS)

    Kraikaew, J.

    1996-01-01

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

  17. Extraction of Aromatics from Heavy Naphtha Using Different Solvents

    International Nuclear Information System (INIS)

    EI-Bassuoni, A.A.; Esmael, K.K.

    2004-01-01

    Aromatic hydrocarbons are very important to the petrochemical industry. Among these are benzene, toluene and xylene (BTX), which are basic raw materials for the production of a number of important petrochemicals. There are many processes used to separate aromatic from non aromatic such as fractionation, azeotropic distillation and liquid I liquid extraction, etc. Liquid - liquid extraction is unique, efficiently used for heat sensitive, close boiling components and for separation of components not possible by other unit operations and it could be done at ambient temperature makes it more energy efficient. The choice of solvent depends on the properties and boiling range of the feedstock. Through the years, a lot of selective solvents has been proposed and selected for the physical separation of aromatics in liquid liquid extraction. Among the selection criteria are the stability,. chemical compatibility, availability, environmental hazards and price of the solvent. But the basic solvent properties that make it efficient are selectivity and capacity

  18. Effects of solvent-solute interactions on the stereochemical course in high energy chlorine-38-for chlorine substitution in meso- and rac-1,2-dichloro-1,2-difluoroethane in solution

    International Nuclear Information System (INIS)

    Acciani, T.R.; Su, Y.Y.; Ache, H.J.; Rack, E.P.

    1978-01-01

    The stereochemistry of the chlorine-38-for-chlorine substitution was studied in diastereomeric 1,2-dichloro-1,2-difluoroethanes in solutions. The experimental results are very similar to those previously observed in meso- and d,l-2,4-dichloropentane solutions which by analogy suggest that the stereochemical course of the substitution process is in the present system also predominantly and directly controlled by the properties of the solvent molecules, most likely by the factors which govern the magnitude of intermolecular interaction between reactants and solvents. It appears that strong intermolecular interaction favors substitution via retention of configuration, whereas in solvents having a low dielectric constant the retention/inversion ratio decreases. These results seem further to suggest that if the reaction occurs via the previously postulated caged complex or excited intermediate that the primary attack by the energetic 38 Cl proceeds via both front and backside replacement

  19. Recent Advances in Anhydrous Solvents for CO{sub 2} Capture: Ionic Liquids, Switchable Solvents, and Nanoparticle Organic Hybrid Materials

    Energy Technology Data Exchange (ETDEWEB)

    Park, Youngjune [School of Environmental Science and Engineering, Gwangju Institute of Science and Technology (GIST), Gwangju (Korea, Republic of); Lin, Kun-Yi Andrew [Department of Environmental Engineering, National Chung Hsing University, Taichung City (China); Park, Ah-Hyung Alissa, E-mail: ap2622@columbia.edu [Department of Earth and Environmental Engineering, Lenfest Center for Sustainable Energy, Columbia University, New York, NY (United States); Department of Chemical Engineering, Lenfest Center for Sustainable Energy, Columbia University, New York, NY (United States); Petit, Camille, E-mail: ap2622@columbia.edu [Department of Chemical Engineering, Imperial College London, London (United Kingdom)

    2015-10-01

    CO{sub 2} capture by amine scrubbing, which has a high CO{sub 2} capture capacity and a rapid reaction rate, is the most employed and investigated approach to date. There are a number of recent large-scale demonstrations including the Boundary Dam Carbon Capture Project by SaskPower in Canada that have reported successful implementations of aqueous amine solvent in CO{sub 2} capture from flue gases. The findings from these demonstrations will significantly advance the field of CO{sub 2} capture in the coming years. While the latest efforts in aqueous amine solvents are exciting and promising, there are still several drawbacks to amine-based CO{sub 2} capture solvents including high volatility and corrosiveness of the amine solutions as well as the high parasitic energy penalty during the solvent regeneration step. Thus, in a parallel effort, alternative CO{sub 2} capture solvents, which are often anhydrous, have been developed as the third-generation CO{sub 2} capture solvents. These novel classes of liquid materials include ionic liquids, CO{sub 2}-triggered switchable solvents (i.e., CO{sub 2}-binding organic liquids, reversible ionic liquids), and nanoparticle organic hybrid materials. This paper provides a review of these various anhydrous solvents and their potential for CO{sub 2} capture. Particular attention is given to the mechanisms of CO{sub 2} absorption in these solvents, their regeneration and their processability – especially taking into account their viscosity. While not intended to provide a complete coverage of the existing literature, this review aims at pointing the major findings reported for these new classes of CO{sub 2} capture media.

  20. Recent Advances in Anhydrous Solvents for CO2 Capture: Ionic Liquids, Switchable Solvents, and Nanoparticle Organic Hybrid Materials

    Directory of Open Access Journals (Sweden)

    YOUNGJUNE ePARK

    2015-10-01

    Full Text Available CO2 capture by amine scrubbing, which has a high CO2 capture capacity and a rapid reaction rate, is the most employed and investigated approach to date. There are a number of recent large-scale demonstrations including the Boundary Dam Carbon Capture Project by SaskPower in Canada that have reported successful implementations of aqueous amine solvent in CO2 capture from flue gases. The findings from these demonstrations will significantly advance the field of CO2 capture in the coming years. While the latest efforts in aqueous amine solvents are exciting and promising, there are still several drawbacks to amine-based CO2 capture solvents including high volatility and corrosiveness of the amine solutions, as well as the high parasitic energy penalty during the solvent regeneration step. Thus, in a parallel effort, alternative CO2 capture solvents, which are often anhydrous, have been developed as the third-generation CO2 capture solvents. These novel classes of liquid materials include: Ionic Liquids (ILs, CO2-triggered switchable solvents (i.e., CO2 Binding Organic Liquids (CO2BOLs, Reversible Ionic Liquids (RevILs, and Nanoparticle Organic Hybrid Materials (NOHMs. This paper provides a review of these various anhydrous solvents and their potential for CO2 capture. Particular attention is given to the mechanisms of CO2 absorption in these solvents, their regeneration and their processability – especially taking into account their viscosity. While not intended to provide a complete coverage of the existing literature, this review aims at pointing the major findings reported for these new classes of CO2 capture media.

  1. Recent Advances in Anhydrous Solvents for CO2 Capture: Ionic Liquids, Switchable Solvents, and Nanoparticle Organic Hybrid Materials

    International Nuclear Information System (INIS)

    Park, Youngjune; Lin, Kun-Yi Andrew; Park, Ah-Hyung Alissa; Petit, Camille

    2015-01-01

    CO 2 capture by amine scrubbing, which has a high CO 2 capture capacity and a rapid reaction rate, is the most employed and investigated approach to date. There are a number of recent large-scale demonstrations including the Boundary Dam Carbon Capture Project by SaskPower in Canada that have reported successful implementations of aqueous amine solvent in CO 2 capture from flue gases. The findings from these demonstrations will significantly advance the field of CO 2 capture in the coming years. While the latest efforts in aqueous amine solvents are exciting and promising, there are still several drawbacks to amine-based CO 2 capture solvents including high volatility and corrosiveness of the amine solutions as well as the high parasitic energy penalty during the solvent regeneration step. Thus, in a parallel effort, alternative CO 2 capture solvents, which are often anhydrous, have been developed as the third-generation CO 2 capture solvents. These novel classes of liquid materials include ionic liquids, CO 2 -triggered switchable solvents (i.e., CO 2 -binding organic liquids, reversible ionic liquids), and nanoparticle organic hybrid materials. This paper provides a review of these various anhydrous solvents and their potential for CO 2 capture. Particular attention is given to the mechanisms of CO 2 absorption in these solvents, their regeneration and their processability – especially taking into account their viscosity. While not intended to provide a complete coverage of the existing literature, this review aims at pointing the major findings reported for these new classes of CO 2 capture media.

  2. Effect of solvent polarity and temperature on the spectral and thermodynamic properties of exciplexes of 1-cyanonaphthalene with hexamethylbenzene in organic solvents

    International Nuclear Information System (INIS)

    Asim, Sadia; Mansha, Asim; Grampp, Günter; Landgraf, Stephan; Zahid, Muhammad; Bhatti, Ijaz Ahmad

    2014-01-01

    Study of the effect of solvent polarity and temperature is done on the exciplex emission spectra of 1-cyanonaphthalene with hexamethylbenzene. Exciplex system is studied in the range of partially polar solvents and in solvent mixture of propyl acetate and butyronitrile. The unique feature of this solvent mixture is that only the solvent polarity changes (6.0≤ε s ≤24.7) with the change in the mole fraction of solvents whereas the solvent viscosity and refractive index remains unaffected. Thermodynamic properties are calculated according to the models developed by Weller and Kuzmin. Fluorescence lifetimes for both the fluorophore as well as the exciplex are evaluated in all used solvents. Exciplex energetics as a function of solvent polarity and temperature are also discussed. Kuzmin model of self-consistent polarization is used for the explanation of the exciplex emission spectra. The effects of solvent polarity and temperature on energy of zero–zero transitions (hv 0 / ), Huang–Rhys factor (S), Gauss broadening of vibronic level (σ) and the dominant high-frequency vibration (hν ν ) are investigated. The strong dependence of exciplex stability and energetics upon the solvent polarity and temperature are observed. Full charge transfer exciplexes were observed in solvents of all polarities and stronger exciplex with large emission intensities were found in solvents of low polarities but with the increase in solvent polarity the exciplex becomes weak and they dissociate fastly into radical ion pairs. The kinetic model of Kuzmin was observed to reduce into the Weller kinetic model for this exciplex system with ∆G ET = −0.22 eV and the spectral shift, h∆ν>0.2 eV. - Highlights: • Exciplex formed as a result of mixing of charge transfer and locally excited states. • Effect of solvents polarity and temperature on the exciplex stability and thermodynamics. • Solvent polarity will decide the formation of contact radical ion pair or solvent separated

  3. Effect of solvent polarity and temperature on the spectral and thermodynamic properties of exciplexes of 1-cyanonaphthalene with hexamethylbenzene in organic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Asim, Sadia [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Department of Chemistry and Biochemistry, University of Agriculture, Faisalabad (Pakistan); Mansha, Asim [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Department of Chemistry, Government College University, Faisalabad (Pakistan); Grampp, Günter, E-mail: grampp@tugraz.at [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Landgraf, Stephan [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Zahid, Muhammad [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Department of Chemistry and Biochemistry, University of Agriculture, Faisalabad (Pakistan); Bhatti, Ijaz Ahmad [Department of Chemistry and Biochemistry, University of Agriculture, Faisalabad (Pakistan)

    2014-09-15

    Study of the effect of solvent polarity and temperature is done on the exciplex emission spectra of 1-cyanonaphthalene with hexamethylbenzene. Exciplex system is studied in the range of partially polar solvents and in solvent mixture of propyl acetate and butyronitrile. The unique feature of this solvent mixture is that only the solvent polarity changes (6.0≤ε{sub s}≤24.7) with the change in the mole fraction of solvents whereas the solvent viscosity and refractive index remains unaffected. Thermodynamic properties are calculated according to the models developed by Weller and Kuzmin. Fluorescence lifetimes for both the fluorophore as well as the exciplex are evaluated in all used solvents. Exciplex energetics as a function of solvent polarity and temperature are also discussed. Kuzmin model of self-consistent polarization is used for the explanation of the exciplex emission spectra. The effects of solvent polarity and temperature on energy of zero–zero transitions (hv{sub 0}{sup /}), Huang–Rhys factor (S), Gauss broadening of vibronic level (σ) and the dominant high-frequency vibration (hν{sub ν}) are investigated. The strong dependence of exciplex stability and energetics upon the solvent polarity and temperature are observed. Full charge transfer exciplexes were observed in solvents of all polarities and stronger exciplex with large emission intensities were found in solvents of low polarities but with the increase in solvent polarity the exciplex becomes weak and they dissociate fastly into radical ion pairs. The kinetic model of Kuzmin was observed to reduce into the Weller kinetic model for this exciplex system with ∆G{sub ET} = −0.22 eV and the spectral shift, h∆ν>0.2 eV. - Highlights: • Exciplex formed as a result of mixing of charge transfer and locally excited states. • Effect of solvents polarity and temperature on the exciplex stability and thermodynamics. • Solvent polarity will decide the formation of contact radical ion pair

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

    Science.gov (United States)

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

    2011-01-01

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

  5. Liquid Quinones for Solvent-Free Redox Flow Batteries.

    Science.gov (United States)

    Shimizu, Akihiro; Takenaka, Keisuke; Handa, Naoyuki; Nokami, Toshiki; Itoh, Toshiyuki; Yoshida, Jun-Ichi

    2017-11-01

    Liquid benzoquinone and naphthoquinone having diethylene glycol monomethyl ether groups are designed and synthesized as redox active materials that dissolve supporting electrolytes. The Li-ion batteries based on the liquid quinones using LiBF 4 /PC show good performance in terms of voltage, capacity, energy efficiency, and cyclability in both static and flow modes. A battery is constructed without using intentionally added organic solvent, and its high energy density (264 W h L -1 ) demonstrates the potential of solvent-free organic redox flow batteries using liquid active materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Downsizing and reorganization: demands, challenges and ambiguity for registered nurses.

    Science.gov (United States)

    Hertting, Anna; Nilsson, Kerstin; Theorell, Töres; Larsson, Ullabeth Sätterlund

    2004-01-01

    The 1990s were characterized by substantial financial cuts, and related staff redundancies and reorganizations in the Swedish health care sector. A large hospital in Sweden was selected for the study, in which downsizing had occurred between 1995 and 1997. The number of staff in the hospital was reduced by an average of 20%, and 10% were relocated to other departments. The aims of this study were to explore registered nurses' experiences of psychosocial 'stressors' and 'motivators', and how they handled their work situations, following a period of personnel reductions and ongoing reorganization. Interviews were undertaken with 14 nurses working in one Swedish hospital. Nurses were interviewed in 1997 about the recent and last round of redundancies, and were followed up 1 year later in 1998 and again in 2001. Interviews were audiotaped, transcribed and analysed for thematic content. Five themes emerged in relation to nurses' perceived stressors, motivators, and coping options: 'distrust towards the employer', 'concurrent demands and challenges', 'professional ambiguity, 'a wish for collaboration', and 'efforts to gain control'. A common feature was duality and ambiguity in nurses' descriptions of the phenomena studied, meaning that identified themes had underlying sub-themes with both negative and positive dimensions. The concurrence of 'ever-growing job demands' and 'work going unrewarded' contributed to a feeling of being taken advantage of by the employer. The 'waste of human resources' and 'competence drain' that followed redundancies provoked anger. Unfulfilled collaboration with doctors was a major stress producer, which related to both the downsized work organization, and the complex 'deference-dominance' doctor-nurse relationship. The well-being of nurses depends on being an equal/parallel health professional in a comprehensive team that shares knowledge and improves collaborative care of patients. A consciously formulated nursing philosophy emerged as a

  7. Solvents interactions with thermochromic print

    Directory of Open Access Journals (Sweden)

    Mirela Rožić

    2017-12-01

    Full Text Available In this study, the interactions between different solvents (benzene, acetone, cyclohexanone, various alcohols and water and thermochromic printing ink were investigated. Thermochromic printing ink was printed on metal surface. Components of thermochromic printing inks are polymeric microcapsules and classic yellow offset printing ink. Below its activation temperature, dye and developer within the microcapsules form a blue coloured complex. Therefore, thermochromic print is green. By heating above the activation temperature, blue colour of the complex turns into the leuco dye colourless state and the green colour of the prints turns into the yellow colour of the classic offset pigment. The results of the interaction with various solvents show that the thermochromic print is stable in all tested solvents except in ethanol, acetone and cyclohexanone. In ethanol, the green colour of the print becomes yellow. SEM analysis shows that microcapsules are dissolved. In acetone and cyclohexanone, the green colour of the print turns into blue, and the microcapsules become significantly more visible. Thus, the yellow pigment interacts with examined ketones. Based on the obtained interactions it can be concluded that the microcapsules have more polar nature than the classical pigment particles. Solvent-thermocromic print interactions were analysed using Hansen solubility parameters that rank the solvents based on their estimated interaction capabilities.

  8. Dynamic stroma reorganization drives blood vessel dysmorphia during glioma growth.

    Science.gov (United States)

    Mathivet, Thomas; Bouleti, Claire; Van Woensel, Matthias; Stanchi, Fabio; Verschuere, Tina; Phng, Li-Kun; Dejaegher, Joost; Balcer, Marly; Matsumoto, Ken; Georgieva, Petya B; Belmans, Jochen; Sciot, Raf; Stockmann, Christian; Mazzone, Massimiliano; De Vleeschouwer, Steven; Gerhardt, Holger

    2017-12-01

    Glioma growth and progression are characterized by abundant development of blood vessels that are highly aberrant and poorly functional, with detrimental consequences for drug delivery efficacy. The mechanisms driving this vessel dysmorphia during tumor progression are poorly understood. Using longitudinal intravital imaging in a mouse glioma model, we identify that dynamic sprouting and functional morphogenesis of a highly branched vessel network characterize the initial tumor growth, dramatically changing to vessel expansion, leakage, and loss of branching complexity in the later stages. This vascular phenotype transition was accompanied by recruitment of predominantly pro-inflammatory M1-like macrophages in the early stages, followed by in situ repolarization to M2-like macrophages, which produced VEGF-A and relocate to perivascular areas. A similar enrichment and perivascular accumulation of M2 versus M1 macrophages correlated with vessel dilation and malignancy in human glioma samples of different WHO malignancy grade. Targeting macrophages using anti-CSF1 treatment restored normal blood vessel patterning and function. Combination treatment with chemotherapy showed survival benefit, suggesting that targeting macrophages as the key driver of blood vessel dysmorphia in glioma progression presents opportunities to improve efficacy of chemotherapeutic agents. We propose that vessel dysfunction is not simply a general feature of tumor vessel formation, but rather an emergent property resulting from a dynamic and functional reorganization of the tumor stroma and its angiogenic influences. © 2017 The Authors. Published under the terms of the CC BY 4.0 license.

  9. THE MAIN OPERATIONS OF REORGANIZATION THROUGH MERGERS OF TRADING COMPANIES

    Directory of Open Access Journals (Sweden)

    Alexandra-Gabriela Rolea

    2013-11-01

    Full Text Available Notwithstanding the optimistic forecasts issued by experts a couple of years ago, the economic predicaments of the European Union’s member states, including Romania, are far from being settled. The extension of the economic and financial dowturn, the continuing process of globalization and the financial markets’ volatility have imposed an unparalleled flexibility upon the economic agents, in that the amount of mergers and acquisitions has risen at a both national and international level. This background calls for a detailed but nonetheless approachable study of the reorganization of the trading companies though mergers, aimed mainly at the business environment. In order to reach the aforementioned objectives, the theoretical endeavor seeks to explore the relevant legal provisions, including the European Directives. The juridical and accounting operations of mergers, their legal consequences and concrete implications on the activity of the trading companies will also be analysed. Some particular approaches embraced by the legal practice are to be presented, as in Romania mergers are submitted to the control of the court. The study will have a positive impact on the economic agents, who are fostered to conclude this type of restructuring, by altering the line of thought shaped a few years ago, according to which mergers are difficult, isolated and sometimes even unacceptable operations.

  10. Reorganization of the brain and heart rhythm during autogenic meditation.

    Science.gov (United States)

    Kim, Dae-Keun; Rhee, Jyoo-Hi; Kang, Seung Wan

    2014-01-13

    The underlying changes in heart coherence that are associated with reported EEG changes in response to meditation have been explored. We measured EEG and heart rate variability (HRV) before and during autogenic meditation. Fourteen subjects participated in the study. Heart coherence scores were significantly increased during meditation compared to the baseline. We found near significant decrease in high beta absolute power, increase in alpha relative power and significant increases in lower (alpha) and higher (above beta) band coherence during 3~min epochs of heart coherent meditation compared to 3~min epochs of heart non-coherence at baseline. The coherence and relative power increase in alpha band and absolute power decrease in high beta band could reflect relaxation state during the heart coherent meditation. The coherence increase in the higher (above beta) band could reflect cortico-cortical local integration and thereby affect cognitive reorganization, simultaneously with relaxation. Further research is still needed for a confirmation of heart coherence as a simple window for the meditative state.

  11. Reorganization of the Brain and Heart Rhythm During Autogenic Meditation

    Directory of Open Access Journals (Sweden)

    Dae-Keun eKim

    2014-01-01

    Full Text Available The underlying changes in heart coherence that are associated with reported EEG changes in response to meditation have been explored. We measured EEG and heart rate variability (HRV before and during autogenic meditation. Fourteen subjects participated in the study. Heart coherence scores were significantly increased during meditation compared to the baseline. We found near significant decrease in high beta absolute power, increase in alpha relative power and significant increases in lower(alpha and higher(above beta band coherence during 3 minute epochs of heart coherent meditation compared to 3 minute epochs of heart noncoherence at baseline. The coherence and relative power increase in alpha band and absolute power decrease in high beta band could reflect relaxation state during the heart coherent meditation. The coherence increase in the higher(above beta band could reflect cortico-cortical local integration and thereby affect cognitive reorganization, simultaneously with relaxation. Further research is still needed for a confirmation of heart coherence as a simple window for the meditative state.

  12. Emotional Prosody Processing in Epilepsy: Some Insights on Brain Reorganization

    Directory of Open Access Journals (Sweden)

    Lucy Alba-Ferrara

    2018-03-01

    Full Text Available Drug resistant epilepsy is one of the most complex, multifactorial and polygenic neurological syndrome. Besides its dynamicity and variability, it still provides us with a model to study brain-behavior relationship, giving cues on the anatomy and functional representation of brain function. Given that onset zone of focal epileptic seizures often affects different anatomical areas, cortical but limited to one hemisphere, this condition also let us study the functional differences of the left and right cerebral hemispheres. One lateralized function in the human brain is emotional prosody, and it can be a useful ictal sign offering hints on the location of the epileptogenic zone. Besides its importance for effective communication, prosody is not considered an eloquent domain, making resective surgery on its neural correlates feasible. We performed an Electronic databases search (Medline and PsychINFO from inception to July 2017 for studies about prosody in epilepsy. The search terms included “epilepsy,” “seizure,” “emotional prosody,” and “vocal affect.” This review focus on emotional prosody processing in epilepsy as it can give hints regarding plastic functional changes following seizures (preoperatively, resection (post operatively, and also as an ictal sign enabling the assessment of dynamic brain networks. Moreover, it is argued that such reorganization can help to preserve the expression and reception of emotional prosody as a central skill to develop appropriate social interactions.

  13. EMMPRIN regulates cytoskeleton reorganization and cell adhesion in prostate cancer.

    Science.gov (United States)

    Zhu, Haining; Zhao, Jun; Zhu, Beibei; Collazo, Joanne; Gal, Jozsef; Shi, Ping; Liu, Li; Ström, Anna-Lena; Lu, Xiaoning; McCann, Richard O; Toborek, Michal; Kyprianou, Natasha

    2012-01-01

    Proteins on cell surface play important roles during cancer progression and metastasis via their ability to mediate cell-to-cell interactions and navigate the communication between cells and the microenvironment. In this study a targeted proteomic analysis was conducted to identify the differential expression of cell surface proteins in human benign (BPH-1) versus malignant (LNCaP and PC-3) prostate epithelial cells. We identified EMMPRIN (extracellular matrix metalloproteinase inducer) as a key candidate and shRNA functional approaches were subsequently applied to determine the role of EMMPRIN in prostate cancer cell adhesion, migration, invasion as well as cytoskeleton organization. EMMPRIN was found to be highly expressed on the surface of prostate cancer cells compared to BPH-1 cells, consistent with a correlation between elevated EMMPRIN and metastasis found in other tumors. No significant changes in cell proliferation, cell cycle progression, or apoptosis were detected in EMMPRIN knockdown cells compared to the scramble controls. Furthermore, EMMPRIN silencing markedly decreased the ability of PC-3 cells to form filopodia, a critical feature of invasive behavior, while it increased expression of cell-cell adhesion and gap junction proteins. Our results suggest that EMMPRIN regulates cell adhesion, invasion, and cytoskeleton reorganization in prostate cancer cells. This study identifies a new function for EMMPRIN as a contributor to prostate cancer cell-cell communication and cytoskeleton changes towards metastatic spread, and suggests its potential value as a marker of prostate cancer progression to metastasis. Copyright © 2011 Wiley Periodicals, Inc.

  14. Cytoskeletal Reorganization Drives Mesenchymal Condensation and Regulates Downstream Molecular Signaling.

    Directory of Open Access Journals (Sweden)

    Poulomi Ray

    Full Text Available Skeletal condensation occurs when specified mesenchyme cells self-organize over several days to form a distinctive cartilage template. Here, we determine how and when specified mesenchyme cells integrate mechanical and molecular information from their environment, forming cartilage condensations in the pharyngeal arches of chick embryos. By disrupting cytoskeletal reorganization, we demonstrate that dynamic cell shape changes drive condensation and modulate the response of the condensing cells to Fibroblast Growth Factor (FGF, Bone Morphogenetic Protein (BMP and Transforming Growth Factor beta (TGF-β signaling pathways. Rho Kinase (ROCK-driven actomyosin contractions and Myosin II-generated differential cell cortex tension regulate these cell shape changes. Disruption of the condensation process inhibits the differentiation of the mesenchyme cells into chondrocytes, demonstrating that condensation regulates the fate of the mesenchyme cells. We also find that dorsal and ventral condensations undergo distinct cell shape changes. BMP signaling is instructive for dorsal condensation-specific cell shape changes. Moreover, condensations exhibit ventral characteristics in the absence of BMP signaling, suggesting that in the pharyngeal arches ventral morphology is the ground pattern. Overall, this study characterizes the interplay between cytoskeletal dynamics and molecular signaling in a self-organizing system during tissue morphogenesis.

  15. Serial functional imaging poststroke reveals visual cortex reorganization.

    Science.gov (United States)

    Brodtmann, Amy; Puce, Aina; Darby, David; Donnan, Geoffrey

    2009-02-01

    Visual cortical reorganization following injury remains poorly understood. The authors performed serial functional magnetic resonance imaging (fMRI) on patients with visual cortex infarction to evaluate early and late striate, ventral, and dorsal extrastriate cortical activation. Patients were studied with fMRI within 10 days and at 6 months. The authors used a high-level visual activation task designed to activate the ventral extrastriate cortex. These data were compared to those of age-appropriate healthy control participants. The results from 24 healthy control individuals (mean age 65.7 +/- SE 3.6 years, range 32-89) were compared to those from 5 stroke patients (mean age 73.8 +/- SE 7 years, range 49-86). Patients had infarcts involving the striate and ventral extrastriate cortex. Patient activation patterns were markedly different to controls. Bilateral striate and ventral extrastriate activation was reduced at both sessions, but dorsal extrastriate activated voxel counts remained comparable to controls. Conversely, mean percent magnetic resonance signal change increased in dorsal sites. These data provide strong evidence of bilateral poststroke functional depression of striate and ventral extrastriate cortices. Possible utilization or surrogacy of the dorsal visual system was demonstrated following stroke. This activity could provide a target for novel visual rehabilitation therapies.

  16. Should a reorganization of France's nuclear industry be envisaged?

    International Nuclear Information System (INIS)

    Finon, D.

    2011-01-01

    Recent proposals to reorganize the French reactor industry to increase its export capability are reviewed here. Based on its criticism of the technology on offer to export markets, the Rousselly report recommended making the national electricity company a lead company free to negotiate the sale of reactors of its choosing (including Gen2 reactors) and to make the French manufacturer the sub-contractor of the former. The Government did not adopt these recommendations and rightly so. Based on an analysis of the changing world market for reactors, perspective can be gained on the criticism made of Areva about its marketing thrust, as well as the advantage to be gained by broadening its reactor catalogue. This analysis brings out and underlines the significance of the technological and industrial resources of Areva relative to competitors and the relatively meagre advantage of architect/assembler and operator provided by the national electricity company in the conquest of export markets. In the final analysis, the mercantile approach proposed by the champions of this reform to improve competitiveness with low cost nuclear newcomers was ruled out the Government, even before the Fukushima accident. What is really required is a little more export coordination between the two entities. (author)

  17. Hippocampal-neocortical functional reorganization underlies children's cognitive development.

    Science.gov (United States)

    Qin, Shaozheng; Cho, Soohyun; Chen, Tianwen; Rosenberg-Lee, Miriam; Geary, David C; Menon, Vinod

    2014-09-01

    The importance of the hippocampal system for rapid learning and memory is well recognized, but its contributions to a cardinal feature of children's cognitive development-the transition from procedure-based to memory-based problem-solving strategies-are unknown. Here we show that the hippocampal system is pivotal to this strategic transition. Longitudinal functional magnetic resonance imaging (fMRI) in 7-9-year-old children revealed that the transition from use of counting to memory-based retrieval parallels increased hippocampal and decreased prefrontal-parietal engagement during arithmetic problem solving. Longitudinal improvements in retrieval-strategy use were predicted by increased hippocampal-neocortical functional connectivity. Beyond childhood, retrieval-strategy use continued to improve through adolescence into adulthood and was associated with decreased activation but more stable interproblem representations in the hippocampus. Our findings provide insights into the dynamic role of the hippocampus in the maturation of memory-based problem solving and establish a critical link between hippocampal-neocortical reorganization and children's cognitive development.

  18. Emotional Prosody Processing in Epilepsy: Some Insights on Brain Reorganization.

    Science.gov (United States)

    Alba-Ferrara, Lucy; Kochen, Silvia; Hausmann, Markus

    2018-01-01

    Drug resistant epilepsy is one of the most complex, multifactorial and polygenic neurological syndrome. Besides its dynamicity and variability, it still provides us with a model to study brain-behavior relationship, giving cues on the anatomy and functional representation of brain function. Given that onset zone of focal epileptic seizures often affects different anatomical areas, cortical but limited to one hemisphere, this condition also let us study the functional differences of the left and right cerebral hemispheres. One lateralized function in the human brain is emotional prosody, and it can be a useful ictal sign offering hints on the location of the epileptogenic zone. Besides its importance for effective communication, prosody is not considered an eloquent domain, making resective surgery on its neural correlates feasible. We performed an Electronic databases search (Medline and PsychINFO) from inception to July 2017 for studies about prosody in epilepsy. The search terms included "epilepsy," "seizure," "emotional prosody," and "vocal affect." This review focus on emotional prosody processing in epilepsy as it can give hints regarding plastic functional changes following seizures (preoperatively), resection (post operatively), and also as an ictal sign enabling the assessment of dynamic brain networks. Moreover, it is argued that such reorganization can help to preserve the expression and reception of emotional prosody as a central skill to develop appropriate social interactions.

  19. Multiple sclerosis and organic solvents

    DEFF Research Database (Denmark)

    Mortensen, J T; Brønnum-Hansen, Henrik; Rasmussen, K

    1998-01-01

    We investigated a possible causal relation between exposure to organic solvents in Danish workers (housepainters, typographers/printers, carpenters/cabinetmakers) and onset of multiple sclerosis. Data on men included in the Danish Multiple Sclerosis Register (3,241 men) were linked with data from......, and butchers. Over a follow-up period of 20 years, we observed no increase in the incidence of multiple sclerosis among men presumed to be exposed to organic solvents. It was not possible to obtain data on potential confounders, and the study design has some potential for selection bias. Nevertheless......, the study does not support existing hypotheses regarding an association between occupational exposure to organic solvents and multiple sclerosis....

  20. Indium recovery by solvent extraction

    International Nuclear Information System (INIS)

    Fortes, Marilia Camargos Botelho

    1999-04-01

    Indium has been recovered as a byproduct from residues generated from the sulfuric acid leaching circuits in mineral plants for zinc recovery. Once its recovery comes from the slags of other metals recovery, it is necessary to separate it from the other elements which usually are present in high concentrations. Many works have been approaching this separation and indicate the solvent extraction process as the main technique used. In Brazilian case, indium recovery depends on the knowledge of this technique and its development. This paper describes the solvent extraction knowledge for the indium recovery from aqueous solutions generated in mineral plants. The results for determination of the best experimental conditions to obtain a high indium concentration solution and minimum iron poisoning by solvent extraction with di (2-ethylhexyl)-phosphoric acid (D2EHPA) solubilized in isoparafin and exxsol has been presented. (author)

  1. Molecular microenvironments: Solvent interactions with nucleic acid bases and ions

    Science.gov (United States)

    Macelroy, R. D.; Pohorille, A.

    1986-01-01

    The possibility of reconstructing plausible sequences of events in prebiotic molecular evolution is limited by the lack of fossil remains. However, with hindsight, one goal of molecular evolution was obvious: the development of molecular systems that became constituents of living systems. By understanding the interactions among molecules that are likely to have been present in the prebiotic environment, and that could have served as components in protobiotic molecular systems, plausible evolutionary sequences can be suggested. When stable aggregations of molecules form, a net decrease in free energy is observed in the system. Such changes occur when solvent molecules interact among themselves, as well as when they interact with organic species. A significant decrease in free energy, in systems of solvent and organic molecules, is due to entropy changes in the solvent. Entropy-driven interactioins played a major role in the organization of prebiotic systems, and understanding the energetics of them is essential to understanding molecular evolution.

  2. Grading Gradients: Evaluating Evidence for Time-dependent Memory Reorganization in Experimental Animals

    Directory of Open Access Journals (Sweden)

    Katherine G. Akers

    2009-01-01

    Full Text Available In humans, hippocampal damage typically produces temporally graded retrograde amnesia, with relative sparing of remote memories compared to recent memories. This observation led to the idea that as memories age, they are reorganized in a time-dependent manner. Here, we evaluate evidence for time-dependent memory reorganization in animal models. We conclude that, although hippocampal lesions may not always produce temporal gradients under all conditions, studies using alternate experimental approaches consistently support the idea that memories reorganize over time—becoming less dependent on the hippocampus and more dependent on a cortical network. We further speculate on the processes that drive memory reorganization such as sleep, memory reactivation, synaptic plasticity, and neurogenesis.

  3. Manipulation of Auditory Inputs as Rehabilitation Therapy for Maladaptive Auditory Cortical Reorganization

    Directory of Open Access Journals (Sweden)

    Hidehiko Okamoto

    2018-01-01

    Full Text Available Neurophysiological and neuroimaging data suggest that the brains of not only children but also adults are reorganized based on sensory inputs and behaviors. Plastic changes in the brain are generally beneficial; however, maladaptive cortical reorganization in the auditory cortex may lead to hearing disorders such as tinnitus and hyperacusis. Recent studies attempted to noninvasively visualize pathological neural activity in the living human brain and reverse maladaptive cortical reorganization by the suitable manipulation of auditory inputs in order to alleviate detrimental auditory symptoms. The effects of the manipulation of auditory inputs on maladaptively reorganized brain were reviewed herein. The findings obtained indicate that rehabilitation therapy based on the manipulation of auditory inputs is an effective and safe approach for hearing disorders. The appropriate manipulation of sensory inputs guided by the visualization of pathological brain activities using recent neuroimaging techniques may contribute to the establishment of new clinical applications for affected individuals.

  4. Inter-hemispheric language functional reorganization in low-grade glioma patients after tumour surgery

    NARCIS (Netherlands)

    Kristo, Gert; Raemaekers, Mathijs; Rutten, Geert-Jan; de Gelder, Beatrice; Ramsey, Nick F.

    Despite many claims of functional reorganization following tumour surgery, empirical studies that investigate changes in functional activation patterns are rare. This study investigates whether functional recovery following surgical treatment in patients with a low-grade glioma in the left

  5. Inter-hemispheric language functional reorganization in low-grade glioma patients after tumour surgery

    NARCIS (Netherlands)

    Kristo, Gert; Raemaekers, Mathijs; Rutten, Geert Jan; de Gelder, Beatrice; Ramsey, Nick F.

    2015-01-01

    Despite many claims of functional reorganization following tumour surgery, empirical studies that investigate changes in functional activation patterns are rare. This study investigates whether functional recovery following surgical treatment in patients with a low-grade glioma in the left

  6. Database Reorganization in Parallel Disk Arrays with I/O Service Stealing

    Science.gov (United States)

    Zabback, Peter; Onyuksel, Ibrahim; Scheuermann, Peter; Weikum, Gerhard

    1996-01-01

    We present a model for data reorganization in parallel disk systems that is geared towards load balancing in an environment with periodic access patterns. Data reorganization is performed by disk cooling, i.e. migrating files or extents from the hottest disks to the coldest ones. We develop an approximate queueing model for determining the effective arrival rates of cooling requests and discuss its use in assessing the costs versus benefits of cooling.

  7. Improved Purex solvent scrubbing methods

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  8. Risk assessment for halogenated solvents

    International Nuclear Information System (INIS)

    Travis, C.C.

    1988-01-01

    A recent development in the cancer risk area is the advent of biologically based pharmacokinetic and pharmacodynamic models. These models allow for the incorporation of biological and mechanistic data into the risk assessment process. These advances will not only improve the risk assessment process for halogenated solvents but will stimulate and guide basic research in the biological area

  9. Technology of extraction by solvent in pulsed columns

    International Nuclear Information System (INIS)

    Ros, P.

    1992-01-01

    Since its creation, the CEA (Commissariat a l'energie atomique) has produced several separation processes for natural or enriched uranium treatment and the treatment of spent fuels coming from nuclear reactors. Among these technologies, extraction by solvent is broadly used for separation and purification of nuclear matters. This technology can be used for other applications as hydrometallurgy, chemistry, pharmaceutics, depollution, agro-industry

  10. Reorganization of plasma membrane lipid domains during conidial germination.

    Science.gov (United States)

    Santos, Filipa C; Fernandes, Andreia S; Antunes, Catarina A C; Moreira, Filipe P; Videira, Arnaldo; Marinho, H Susana; de Almeida, Rodrigo F M

    2017-02-01

    Neurospora crassa, a filamentous fungus, in the unicellular conidial stage has ideal features to study sphingolipid (SL)-enriched domains, which are implicated in fundamental cellular processes ranging from antifungal resistance to apoptosis. Several changes in lipid metabolism and in the membrane composition of N. crassa occur during spore germination. However, the biophysical impact of those changes is unknown. Thus, a biophysical study of N. crassa plasma membrane, particularly SL-enriched domains, and their dynamics along conidial germination is prompted. Two N. crassa strains, wild-type (WT) and slime, which is devoid of cell wall, were studied. Conidial growth of N. crassa WT from a dormancy state to an exponential phase was accompanied by membrane reorganization, namely an increase of membrane fluidity, occurring faster in a supplemented medium than in Vogel's minimal medium. Gel-like domains, likely enriched in SLs, were found in both N. crassa strains, but were particularly compact, rigid and abundant in the case of slime cells, even more than in budding yeast Saccharomyces cerevisiae. In N. crassa, our results suggest that the melting of SL-enriched domains occurs near growth temperature (30°C) for WT, but at higher temperatures for slime. Regarding biophysical properties strongly affected by ergosterol, the plasma membrane of slime conidia lays in between those of N. crassa WT and S. cerevisiae cells. The differences in biophysical properties found in this work, and the relationships established between membrane lipid composition and dynamics, give new insights about the plasma membrane organization and structure of N. crassa strains during conidial growth. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. AMP-activated protein kinase induces actin cytoskeleton reorganization in epithelial cells

    International Nuclear Information System (INIS)

    Miranda, Lisa; Carpentier, Sarah; Platek, Anna; Hussain, Nusrat; Gueuning, Marie-Agnes; Vertommen, Didier; Ozkan, Yurda; Sid, Brice; Hue, Louis; Courtoy, Pierre J.; Rider, Mark H.; Horman, Sandrine

    2010-01-01

    AMP-activated protein kinase (AMPK), a known regulator of cellular and systemic energy balance, is now recognized to control cell division, cell polarity and cell migration, all of which depend on the actin cytoskeleton. Here we report the effects of A769662, a pharmacological activator of AMPK, on cytoskeletal organization and signalling in epithelial Madin-Darby canine kidney (MDCK) cells. We show that AMPK activation induced shortening or radiation of stress fibers, uncoupling from paxillin and predominance of cortical F-actin. In parallel, Rho-kinase downstream targets, namely myosin regulatory light chain and cofilin, were phosphorylated. These effects resembled the morphological changes in MDCK cells exposed to hyperosmotic shock, which led to Ca 2+ -dependent AMPK activation via calmodulin-dependent protein kinase kinase-β(CaMKKβ), a known upstream kinase of AMPK. Indeed, hypertonicity-induced AMPK activation was markedly reduced by the STO-609 CaMKKβ inhibitor, as was the increase in MLC and cofilin phosphorylation. We suggest that AMPK links osmotic stress to the reorganization of the actin cytoskeleton.

  12. Influence of solvents on species crossover and capacity decay in non-aqueous vanadium redox flow batteries: Characterization of acetonitrile and 1, 3 dioxolane solvent mixture

    Science.gov (United States)

    Bamgbopa, Musbaudeen O.; Almheiri, Saif

    2017-02-01

    The importance of the choice of solvent in a non-aqueous redox flow battery (NARFB) cannot be overemphasized. Several studies demonstrated the influence of the solvent on electrolyte performance in terms of reaction rates, energy/power densities, and efficiencies. In this work, we investigate capacity decay as a direct consequence of varying reactant crossover rates through membranes in different solvent environments. Specifically, we demonstrate the superiority of an 84/16 vol% acetonitrile/1,3 dioxolane solvent mixture over pure acetonitrile in terms of energy efficiency (up to 89%) and capacity retention for vanadium NARFBs - while incorporating a Nafion 115 membrane. The permeability of Nafion to the vanadium acetylacetonate active species is an order of magnitude lower when pure acetonitrile is replaced by the solvent mixture. A method to estimate relative membrane permeability is formulated from numerical analysis of self-discharge experimental data. Furthermore, tests on a modified Nafion/SiO2 membrane, which generally offered low species permeability, also show that different solvents alter membrane permeability. Elemental and morphological analyses of cycled Nafion and NafionSi membranes in different solvent environments indicate that different crossover rates induced by the choice of solvent during cycling are due to changes in the membrane microstructure, intrinsic permeability, swelling rates, and chemical stability.

  13. Conversion of a deasphalting unit for use in the process of supercritical solvent recovery

    Directory of Open Access Journals (Sweden)

    Waintraub S.

    2000-01-01

    Full Text Available In order to reduce energy consumption and to increase deasphalted oil yield, an old PETROBRAS deasphalting unit was converted for use in the process of supercritical solvent recovery. In-plant and pilot tests were performed to determine the ideal solvent-to-oil ratio. The optimum conditions for separation of the supercritical solvent from the solvent-plus-oil liquid mixture were determined by experimental tests in PVT cells. These tests also allowed measurement of the dew and bubble points, determination of the retrograde region, observation of supercritical fluid compressibility and as a result construction of a phase equilibrium diagram.

  14. Scenarios Evaluation Tool for Chlorinated Solvent MNA

    Energy Technology Data Exchange (ETDEWEB)

    Vangelas, Karen; Michael J. Truex; Charles J. Newell; Brian Looney

    2007-02-28

    Over the past three decades, much progress has been made in the remediation of chlorinated solvents from the subsurface. Yet these pervasive contaminants continue to present a significant challenge to the U.S. Department of Energy (DOE), other federal agencies, and other public and private organizations. The physical and chemical properties of chlorinated solvents make it difficult to rapidly reach the low concentrations typically set as regulatory limits. These technical challenges often result in high costs and long remediation time frames. In 2003, the DOE through the Office of Environmental Management funded a science-based technical project that uses the U.S. Environmental Protection Agency's technical protocol (EPA, 1998) and directives (EPA, 1999) on Monitored Natural Attenuation (MNA) as the foundation on which to introduce supporting concepts and new scientific developments that will support remediation of chlorinated solvents based on natural attenuation processes. This project supports the direction in which many site owners want to move to complete the remediation of their site(s), that being to complete the active treatment portion of the remedial effort and transition into MNA. The overarching objective of the effort was to examine environmental remedies that are based on natural processes--remedies such as Monitored Natural Attenuation (MNA) or Enhanced Attenuation (EA). The research program did identify several specific opportunities for advances based on: (1) mass balance as the central framework for attenuation based remedies, (2) scientific advancements and achievements during the past ten years, (3) regulatory and policy development and real-world experience using MNA, and (4) exploration of various ideas for integrating attenuation remedies into a systematic set of ''combined remedies'' for contaminated sites. These opportunities are summarized herein and are addressed in more detail in referenced project documents and

  15. On the solubility of nicotinic acid and isonicotinic acid in water and organic solvents

    International Nuclear Information System (INIS)

    Abraham, Michael H.; Acree, William E.

    2013-01-01

    Highlights: ► Solubilities of nicotinic acid and isonicotinic acids in organicsolvents have been determined. ► Solubilities are used to calculate Abraham descriptors for the two acids. ► These descriptors then yield water-solvent and gas-solvent partitions into numerous solvents. ► The solubility of the neutral acids in water is obtained. ► The method is straightforward and can be applied to any set of compound solubilities. -- Abstract: We have determined the solubility of nicotinic acid in four solvents and the solubility of isonicotinic acid in another four solvents. These results, together with literature data on the solubility of nicotinic acid in five other organic solvents and isonicotinic acid in four other organic solvents, have been analyzed through two linear Gibbs energy relationships in order to extract compound properties, or descriptors, that encode various solute–solvent interactions. The descriptors for nicotinic acid and isonicotinic acid can then be used in known equations for partition of solutes between water and organic solvents to predict partition coefficients and then further solubility in a host of organic solvents, as well as to predict a number of other physicochemical properties

  16. Anion-π aromatic neutral tweezers complexes: are they stable in polar solvents?

    Science.gov (United States)

    Sánchez-Lozano, Marta; Otero, Nicolás; Hermida-Ramón, Jose M; Estévez, Carlos M; Mandado, Marcos

    2011-03-17

    The impact of the solvent environment on the stabilization of the complexes formed by fluorine (T-F) and cyanide (T-CN) substituted tweezers with halide anions has been investigated theoretically. The study was carried out using computational methodologies based on density functional theory (DFT) and symmetry adapted perturbation theory (SAPT). Interaction energies were obtained at the M05-2X/6-31+G* level. The obtained results show a large stability of the complexes in solvents with large dielectric constant and prove the suitability of these molecular tweezers as potential hosts for anion recognition in solution. A detailed analysis of the effects of the solvent on the electron withdrawing ability of the substituents and its influence on the complex stability has been performed. In particular, the interaction energy in solution was split up into intermonomer and solvent-complex terms. In turn, the intermonomer interaction energy was partitioned into electrostatic, exchange, and polarization terms. Polar resonance structures in T-CN complexes are favored by polar solvents, giving rise to a stabilization of the intermonomer interaction, the opposite is found for T-F complexes. The solvent-complex energy increases with the polarity of the solvent in T-CN complexes, nonetheless the energy reaches a maximum and then decreases slowly in T-F complexes. An electron density analysis was also performed before and after complexation, providing an explanation to the trends followed by the interaction energies and their different components in solution.

  17. Solvent effect on Rb+ to K+ ion mutation: Monte Carlo simulation study

    International Nuclear Information System (INIS)

    Kim, Hag Sung

    2000-01-01

    The solvent effects on the relative free energies of solvation and the difference in partition coefficients (log P) for Rb + to K + mutation in several solvents have been investigated using Monte Carlo simulation (MCS) of statistical perturbation theory (SPT). In comparing the relative free energies for interconversion of one ion pair, Rb + to K + , in H 2 O (TIP4P) in this study with the relative free energies of the computer simulations and the experimental, we found that the figure in this study is -5.00 ± 0.11 kcal/mol. There is good agreement among various studies, taking into account both methods used to obtain the hydration free energies and standard deviations. There is also good agreement between the calculated structural properties of this study and the simulations, ab initio and the experimental results. We have explained the deviation of the relationship between the free energy difference and the Onsager dielectric function of solvents by the electron pair donor properties of the solvents. For the Rb + and K + ion pair, the Onsager dielectric function of solvents (or solvent permittivity), donor number of solvent and the differences in solvation dominate the differences in the relative free energies of solvation and partition coefficients

  18. Study of the solvent effects on the molecular structure and Cdbnd O stretching vibrations of flurbiprofen

    Science.gov (United States)

    Tekin, Nalan; Pir, Hacer; Sagdinc, Seda

    2012-12-01

    The effects of 15 solvents on the C=O stretching vibrational frequency of flurbiprofen (FBF) were determined to investigate solvent-solute interactions. Solvent effects on the geometry and C=O stretching vibrational frequency, ν(C=O), of FBF were studied theoretically at the DFT/B3LYP and HF level in combination with the polarizable continuum model and experimentally using attenuated total reflection infrared spectroscopy (ATR-IR). The calculated C=O stretching frequencies in the liquid phase are in agreement with experimental values. Moreover, the wavenumbers of ν(C=O) of FBF in different solvents have been obtained and correlated with the Kirkwood-Bauer-Magat equation (KBM), the solvent acceptor numbers (ANs), and the linear solvation energy relationships (LSERs). The solvent-induced stretching vibrational frequency shifts displayed a better correlation with the LSERs than with the ANs and KBM.

  19. H.R. 5448: a bill to amend the Atomic Energy Act of 1954, as amended, to reorganize the functions of the Nuclear Regulatory Commission by abolishing the Commission and in its place establishing the Nuclear Regulation and Safety Agency. Introduced in the House of Representatives, Ninety-Ninth Congress, Second Session, August 15, 1986

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    The Omnibus Nuclear Safety Act of 1986 amends the Atomic Energy Act of 1954 by replacing the Nuclear Regulatory Commission with a new entity, the Nuclear Regulation and Safety Agency. The purposes are to promote an energy policy that is better coordinated and more consistent with the protection of public health and safety. The new agency would also expedite licensing for construction and operation of nuclear power plants by using pre-approved standardized designs and sites

  20. Solvent mimicry with methylene carbene to probe protein topography.

    Science.gov (United States)

    Gómez, Gabriela Elena; Monti, José Luis E; Mundo, Mariana Rocío; Delfino, José María

    2015-10-06

    The solvent accessible surface area (SASA) of the polypeptide chain plays a key role in protein folding, conformational change, and interaction. This fundamental biophysical parameter is elusive in experimental measurement. Our approach to this problem relies on the reaction of the minimal photochemical reagent diazirine (DZN) with polypeptides. This reagent (i) exerts solvent mimicry because its size is comparable to water and (ii) shows scant chemical selectivity because it generates extremely reactive methylene carbene. Methylation gives rise to the EM (extent of modification) signal, which is useful for scrutinizing the conformational change triggered by Ca(2+) binding to calmodulin (CaM). The increased EM observed for the full protein is dominated by the enhanced exposure of hydrophobic area in Ca(2+)-CaM. Fragmentation allowed us to quantify the methylene incorporation at specific sites. Peptide 91-106 reveals a major reorganization around the calcium 151 binding site, resulting in local ordering and a greater exposure of the hydrophobic surface. Additionally, this technique shows a high sensitivity to probe recognition between CaM and melittin (Mel). The large decrease in EM indicates the occlusion of a significant hydrophobic area upon complexation. Protection from labeling reveals a larger involvement of the N-terminal and central regions of CaM in this interaction. Despite its smaller size, Mel's differential exposure can also be quantified. Moreover, MS/MS fragmentation realizes the goal of extending the resolution of labeled sites at the amino acid level. Overall, DZN labeling emerges as a useful footprinting method capable of shedding light on physiological conformational changes and interactions.

  1. Iodine removing method in organic solvent

    International Nuclear Information System (INIS)

    Suzuki, Takeo; Sakurai, Manabu

    1988-01-01

    Purpose: To effectively remove iodine in an organic solvent to thereby remove iodine in the solvent that can be re-used or put to purning treatment. Method: Organic solvent formed from wastes of nuclear facilities is mixed with basic lead acetate, or silica gel or activated carbon incorporated with such a compound to adsorb iodine in the organic solvent to the basic lead acetate. Then, iodine in the organic solvent is removed by separating to eliminate the basic lead acetate adsorbing iodine from the organic solvent or by passing the organic solvent through a tower or column charged or pre-coated with silica gel or activated carbon incorporated with lead acetate. By using basic lead acetate as the adsorbents, iodine can effective by adsorbed and eliminated. Thus, the possibility of circumstantial release of iodine can be reduced upon reusing or burning treatment of the organic solvent. (Kamimura, M.)

  2. Computer Aided Solvent Selection and Design Framework

    DEFF Research Database (Denmark)

    Mitrofanov, Igor; Conte, Elisa; Abildskov, Jens

    and computer-aided tools and methods for property prediction and computer-aided molecular design (CAMD) principles. This framework is applicable for solvent selection and design in product design as well as process design. The first module of the framework is dedicated to the solvent selection and design...... in terms of: physical and chemical properties (solvent-pure properties); Environment, Health and Safety (EHS) characteristic (solvent-EHS properties); operational properties (solvent–solute properties). 3. Performing the search. The search step consists of two stages. The first is a generation and property...... identification of solvent candidates using special software ProCAMD and ProPred, which are the implementations of computer-aided molecular techniques. The second consists of assigning the RS-indices following the reaction–solvent and then consulting the known solvent database and identifying the set of solvents...

  3. Canyon solvent cleaning with solid adsorbents

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

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

  4. Recent solvent extraction experience at Savannah River

    International Nuclear Information System (INIS)

    Gray, L.W.; Burney, G.A.; Gray, J.H.; Hodges, M.E.; Holt, D.L.; Macafee, I.M.; Reif, D.J.; Shook, H.E.

    1986-01-01

    Tributyl phosphate-based solvent extraction processes have been used at Savannah River for more than 30 years to separate and purify thorium, uranium, neptunium, plutonium, americium, and curium isotopes. This report summarizes the advancement of solvent extraction technology at Savannah River during the 1980's. Topics that are discussed include equipment improvements, solvent treatment, waste reduction, and an improved understanding of the various chemistries in the process streams entering, within, and leaving the solvent extraction processes

  5. Solvent extraction studies of RERTR silicide fuels

    International Nuclear Information System (INIS)

    Gouge, Anthony P.

    1983-01-01

    Uranium silicide fuels, which are candidate RERTR fuel compositions, may require special considerations in solvent extraction reprocessing. Since Savannah River Plant may be reprocessing RERTR fuels as early as 1985, studies have been conducted at Savannah River Laboratory to demonstrate the solvent extraction behavior of this fuel. Results of solvent extraction studies with both unirradiated and irradiated fuel are presented along with the preliminary RERTR solvent extraction reprocessing flow sheet for Savannah River Plant. (author)

  6. Reorganization of retinotopic maps after occipital lobe infarction.

    Science.gov (United States)

    Vaina, Lucia M; Soloviev, Sergei; Calabro, Finnegan J; Buonanno, Ferdinando; Passingham, Richard; Cowey, Alan

    2014-06-01

    hemisphere of PF. However, PF was only scanned at 3 and 7 months, and the biggest shifts in patient JS were found between 8 and 11 months. Thus, it is important to carry out a prospective study with a trained and untrained group so as to determine whether the patterns of reorganization that we have observed can be further promoted by training.

  7. Auditory cross-modal reorganization in cochlear implant users indicates audio-visual integration.

    Science.gov (United States)

    Stropahl, Maren; Debener, Stefan

    2017-01-01

    There is clear evidence for cross-modal cortical reorganization in the auditory system of post-lingually deafened cochlear implant (CI) users. A recent report suggests that moderate sensori-neural hearing loss is already sufficient to initiate corresponding cortical changes. To what extend these changes are deprivation-induced or related to sensory recovery is still debated. Moreover, the influence of cross-modal reorganization on CI benefit is also still unclear. While reorganization during deafness may impede speech recovery, reorganization also has beneficial influences on face recognition and lip-reading. As CI users were observed to show differences in multisensory integration, the question arises if cross-modal reorganization is related to audio-visual integration skills. The current electroencephalography study investigated cortical reorganization in experienced post-lingually deafened CI users ( n  = 18), untreated mild to moderately hearing impaired individuals (n = 18) and normal hearing controls ( n  = 17). Cross-modal activation of the auditory cortex by means of EEG source localization in response to human faces and audio-visual integration, quantified with the McGurk illusion, were measured. CI users revealed stronger cross-modal activations compared to age-matched normal hearing individuals. Furthermore, CI users showed a relationship between cross-modal activation and audio-visual integration strength. This may further support a beneficial relationship between cross-modal activation and daily-life communication skills that may not be fully captured by laboratory-based speech perception tests. Interestingly, hearing impaired individuals showed behavioral and neurophysiological results that were numerically between the other two groups, and they showed a moderate relationship between cross-modal activation and the degree of hearing loss. This further supports the notion that auditory deprivation evokes a reorganization of the auditory system

  8. Auditory cross-modal reorganization in cochlear implant users indicates audio-visual integration

    Directory of Open Access Journals (Sweden)

    Maren Stropahl

    2017-01-01

    Full Text Available There is clear evidence for cross-modal cortical reorganization in the auditory system of post-lingually deafened cochlear implant (CI users. A recent report suggests that moderate sensori-neural hearing loss is already sufficient to initiate corresponding cortical changes. To what extend these changes are deprivation-induced or related to sensory recovery is still debated. Moreover, the influence of cross-modal reorganization on CI benefit is also still unclear. While reorganization during deafness may impede speech recovery, reorganization also has beneficial influences on face recognition and lip-reading. As CI users were observed to show differences in multisensory integration, the question arises if cross-modal reorganization is related to audio-visual integration skills. The current electroencephalography study investigated cortical reorganization in experienced post-lingually deafened CI users (n = 18, untreated mild to moderately hearing impaired individuals (n = 18 and normal hearing controls (n = 17. Cross-modal activation of the auditory cortex by means of EEG source localization in response to human faces and audio-visual integration, quantified with the McGurk illusion, were measured. CI users revealed stronger cross-modal activations compared to age-matched normal hearing individuals. Furthermore, CI users showed a relationship between cross-modal activation and audio-visual integration strength. This may further support a beneficial relationship between cross-modal activation and daily-life communication skills that may not be fully captured by laboratory-based speech perception tests. Interestingly, hearing impaired individuals showed behavioral and neurophysiological results that were numerically between the other two groups, and they showed a moderate relationship between cross-modal activation and the degree of hearing loss. This further supports the notion that auditory deprivation evokes a reorganization of the

  9. Energy-scales convergence for optimal and robust quantum transport in photosynthetic complexes

    Energy Technology Data Exchange (ETDEWEB)

    Mohseni, M. [Google Research, Venice, California 90291 (United States); Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Shabani, A. [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Department of Chemistry, University of California at Berkeley, Berkeley, California 94720 (United States); Lloyd, S. [Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Rabitz, H. [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States)

    2014-01-21

    Underlying physical principles for the high efficiency of excitation energy transfer in light-harvesting complexes are not fully understood. Notably, the degree of robustness of these systems for transporting energy is not known considering their realistic interactions with vibrational and radiative environments within the surrounding solvent and scaffold proteins. In this work, we employ an efficient technique to estimate energy transfer efficiency of such complex excitonic systems. We observe that the dynamics of the Fenna-Matthews-Olson (FMO) complex leads to optimal and robust energy transport due to a convergence of energy scales among all important internal and external parameters. In particular, we show that the FMO energy transfer efficiency is optimum and stable with respect to important parameters of environmental interactions including reorganization energy λ, bath frequency cutoff γ, temperature T, and bath spatial correlations. We identify the ratio of k{sub B}λT/ℏγ⁢g as a single key parameter governing quantum transport efficiency, where g is the average excitonic energy gap.

  10. Energy-scales convergence for optimal and robust quantum transport in photosynthetic complexes

    International Nuclear Information System (INIS)

    Mohseni, M.; Shabani, A.; Lloyd, S.; Rabitz, H.

    2014-01-01

    Underlying physical principles for the high efficiency of excitation energy transfer in light-harvesting complexes are not fully understood. Notably, the degree of robustness of these systems for transporting energy is not known considering their realistic interactions with vibrational and radiative environments within the surrounding solvent and scaffold proteins. In this work, we employ an efficient technique to estimate energy transfer efficiency of such complex excitonic systems. We observe that the dynamics of the Fenna-Matthews-Olson (FMO) complex leads to optimal and robust energy transport due to a convergence of energy scales among all important internal and external parameters. In particular, we show that the FMO energy transfer efficiency is optimum and stable with respect to important parameters of environmental interactions including reorganization energy λ, bath frequency cutoff γ, temperature T, and bath spatial correlations. We identify the ratio of k B λT/ℏγ⁢g as a single key parameter governing quantum transport efficiency, where g is the average excitonic energy gap

  11. Directed Assembly of Janus Cylinders by Controlling the Solvent Polarity.

    Science.gov (United States)

    Kim, Jongmin; Choi, Chang-Hyung; Yeom, Su-Jin; Eom, Naye; Kang, Kyoung-Ku; Lee, Chang-Soo

    2017-08-01

    This study demonstrates the possibility of controlling the directed self-assembly of microsized Janus cylinders by changing the solvent polarity of the assembly media. Experimental results are analyzed and theoretical calculations of the free energy of adhesion (ΔG ad ) are performed to elucidate the underlying basic principles and investigate the effects of the solvent on the self-assembled structures. This approach will pave a predictive route for controlling the structures of assembly depending on the solvent polarity. In particular, we find that a binary solvent system with precisely controlled polarity induces directional assembly of the microsized Janus cylinders. Thus, the formation of two-dimensional (2D) and three-dimensional (3D) assembled clusters can be reliably tuned by controlling the numbers of constituent Janus cylinders in a binary solvent system. Finally, this approach is expanded to stepwise assembly, which forms unique microstructures via secondary growth of primary seed clusters formed by the Janus cylinders. We envision that this investigation is highly promising for the construction of desired superstructures using a wide variety of polymeric Janus microparticles with chemical and physical multicompartments.

  12. Restoring solvent for nuclear separation processes

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

    Solvent extraction separation processes are used to recover usable nuclear materials from spent fuels. These processes involve the use of an extractant/diluent (solvent) for separation of the reusable actinides from unwanted fission products. The most widely used processes employ tributyl phosphate as an extractant diluted with a normal-paraffin hydrocarbon. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials that influence product losses, product decontamination, and separation efficiencies. In most processes, the solvent is recycled after cleaning. Solvent cleaning generally involves scrubbing with a sodium carbonate solution. Studies at the Savannah River Laboratory have shown that carbonate washing, although removing residual solvent activity, does not remove more solvent-soluble binding ligands (formed by solvent degradation), which hold fission products in the solvent. Treatment of the solvent with a solid adsorbent after carbonate washing removes binding ligands and significantly improves recycled solvent performance. Laboratory work to establish the advantage of adsorbent cleaning and the development of a full-scale adsorption process is described. The application of this process for cleaning the first cycle solvent of a Savannah River Plant production process is discussed

  13. Adaptive Resolution Simulation of MARTINI Solvents

    NARCIS (Netherlands)

    Zavadlav, Julija; Melo, Manuel N.; Cunha, Ana V.; de Vries, Alex H.; Marrink, Siewert J.; Praprotnik, Matej

    We present adaptive resolution dynamics simulations of aqueous and apolar solvents coarse-grained molecular models that are compatible with the MARTINI force field. As representatives of both classes solvents we have chosen liquid water and butane, respectively, at ambient temperature. The solvent

  14. Development of Effective Solvent Modifiers for the Solvent Extraction of Cesium from Alkaline High-Level Tank Waste

    International Nuclear Information System (INIS)

    Bonnesen, Peter V.; Delmau, Laetitia H.; Moyer, Bruce A.; Lumetta, Gregg J.

    2003-01-01

    A series of novel alkylphenoxy fluorinated alcohols were prepared and investigated for their effectiveness as modifiers in solvents containing calix(4)arene-bis-(tert-octylbenzo)-crown-6 for extracting cesium from alkaline nitrate media. A modifier that contained a terminal 1,1,2,2-tetrafluoroethoxy group was found to decompose following long-term exposure to warm alkaline solutions. However, replacement of the tetrafluoroethoxy group with a 2,2,3,3-tetrafluoropropoxy group led to a series of modifiers that possessed the alkaline stability required for a solvent extraction process. Within this series of modifiers, the structure of the alkyl substituent (tert-octyl, tert-butyl, tert-amyl, and sec-butyl) of the alkylphenoxy moiety was found to have a profound impact on the phase behavior of the solvent in liquid-liquid contacting experiments, and hence on the overall suitability of the modifier for a solvent extraction process. The sec-butyl derivative(1-(2,2,3,3-tetrafluoropropoxy)-3- (4-sec-butylphenoxy)-2-propanol) (Cs-7SB) was found to possess the best overall balance of properties with respect to third phase and coalescence behavior, cleanup following degradation, resistance to solids formation, and cesium distribution behavior. Accordingly, this modifier was selected for use as a component of the solvent employed in the Caustic-Side Solvent Extraction (CSSX) process for removing cesium from high level nuclear waste (HLW) at the U.S. Department of Energy's (DOE) Savannah River Site. In batch equilibrium experiments, this solvent has also been successfully shown to extract cesium from both simulated and actual solutions generated from caustic leaching of HLW tank sludge stored in tank B-110 at the DOE's Hanford Site.

  15. Benchmarking Continuum Solvent Models for Keto-Enol Tautomerizations.

    Science.gov (United States)

    McCann, Billy W; McFarland, Stuart; Acevedo, Orlando

    2015-08-13

    Experimental free energies of tautomerization, ΔGT, were used to benchmark the gas-phase predictions of 17 different quantum mechanical methods and eight basis sets for seven keto-enol tautomer pairs dominated by their enolic form. The G4 method and M06/6-31+G(d,p) yielded the most accurate results, with mean absolute errors (MAE's) of 0.95 and 0.71 kcal/mol, respectively. Using these two theory levels, the solution-phase ΔGT values for 23 unique tautomer pairs composed of aliphatic ketones, β-dicarbonyls, and heterocycles were computed in multiple protic and aprotic solvents. The continuum solvation models, namely, polarizable continuum model (PCM), polarizable conductor calculation model (CPCM), and universal solvation model (SMD), gave relatively similar MAE's of ∼1.6-1.7 kcal/mol for G4 and ∼1.9-2.0 kcal/mol with M06/6-31+G(d,p). Partitioning the tautomer pairs into their respective molecular types, that is, aliphatic ketones, β-dicarbonyls, and heterocycles, and separating out the aqueous versus nonaqueous results finds G4/PCM utilizing the UA0 cavity to be the overall most accurate combination. Free energies of activation, ΔG(‡), for the base-catalyzed keto-enol interconversion of 2-nitrocyclohexanone were also computed using six bases and five solvents. The M06/6-31+G(d,p) reproduced the ΔG(‡) with MAE's of 1.5 and 1.8 kcal/mol using CPCM and SMD, respectively, for all combinations of base and solvent. That specific enolization was previously proposed to proceed via a concerted mechanism in less polar solvents but shift to a stepwise mechanism in more polar solvents. However, the current calculations suggest that the stepwise mechanism operates in all solvents.

  16. The Solvent Selection framework: solvents for organic synthesis, separation processes and ionic-organic synthesis

    DEFF Research Database (Denmark)

    Mitrofanov, Igor; Sansonetti, Sascha; Abildskov, Jens

    2012-01-01

    This paper presents a systematic integrated framework for solvent selection and solvent design. The framework is divided into several modules, which can tackle specific problems in various solvent-based applications. In particular, three modules corresponding to the following solvent selection pr...

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

    Science.gov (United States)

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

    2009-01-06

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

  18. PRELIMINARY ENVIRONMENTAL, HEALTH AND SAFETY RISK ASSESSMENT ON THE INTEGRATION OF A PROCESS UTILIZING LOW-ENERGY SOLVENTS FOR CARBON DIOXIDE CAPTURE ENABLED BY A COMBINATION OF ENZYMES AND VACUUM REGENERATION WITH A SUBCRITICAL PC POWER PLANT

    Energy Technology Data Exchange (ETDEWEB)

    Fitzgerald, David; Vidal, Rafael; Russell, Tania; Babcock, Doosan; Freeman, Charles; Bearden, Mark; Whyatt, Greg; Liu, Kun; Frimpong, Reynolds; Lu, Kunlei; Salmon, Sonja; House, Alan; Yarborough, Erin

    2014-12-31

    The results of the preliminary environmental, health and safety (EH&S) risk assessment for an enzyme-activated potassium carbonate (K2CO3) solution post-combustion CO2 capture (PCC) plant, integrated with a subcritical pulverized coal (PC) power plant, are presented. The expected emissions during normal steady-state operation have been estimated utilizing models of the PCC plant developed in AspenTech’s AspenPlus® software, bench scale test results from the University of Kentucky, and industrial experience of emission results from a slipstream PCC plant utilizing amine based solvents. A review of all potential emission species and their sources was undertaken that identified two credible emission sources, the absorber off-gas that is vented to atmosphere via a stack and the waste removed from the PCC plant in the centrifuge used to reclaim enzyme and solvent. The conditions and compositions of the emissions were calculated and the potential EH&S effects were considered as well as legislative compliance requirements. Potential mitigation methods for emissions during normal operation have been proposed and solutions to mitigate uncontrolled releases of species have been considered. The potential emissions were found to pose no significant EH&S concerns and were compliant with the Federal legislation reviewed. The limitations in predicting full scale plant performance from bench scale tests have been noted and further work on a larger scale test unit is recommended to reduce the level of uncertainty.

  19. Burnout in health-care professionals during reorganizations and downsizing. A cohort study in nurses

    Directory of Open Access Journals (Sweden)

    Hall-Lord Marie-Louise

    2010-06-01

    Full Text Available Abstract Background Burnout is a psychological reaction triggered by interaction between personal characteristics and stress factors. Reorganizations and downsizing with increased workload imply stress for health-care professionals. This is a study of burnout in nurses during a period with two comprehensive reorganizations. Methods In this quasi-experimental retrospective cohort study, burnout was assessed in nurses with long work experience in three surveys during a 30 months' period with two comprehensive reorganizations and downsizing of a hospital unit with mostly seriously ill patients with cancer. Burnout was measured with Bergen Burnout Indicator (BBI at each survey, and "Sense of Coherence" (SOC with Antonovsky's questionnaire at the last survey. Results One man and 45 women aged 30 to 65 years were invited to the surveys. There was a significant increase in burnout during the study period, the mean increase in BBI-score was 12.5 pr year (p Conclusions There was a significant development of burnout in a group of nurses during a period with two reorganizations and downsizing. Burnout was associated with low SOC. Working with seriously ill patients with cancer has probably made the nurses exceptionally vulnerable to the stress and workload related to the reorganizations.

  20. Lesion characteristics driving right-hemispheric language reorganization in congenital left-hemispheric brain damage.

    Science.gov (United States)

    Lidzba, Karen; de Haan, Bianca; Wilke, Marko; Krägeloh-Mann, Ingeborg; Staudt, Martin

    2017-10-01

    Pre- or perinatally acquired ("congenital") left-hemispheric brain lesions can be compensated for by reorganizing language into homotopic brain regions in the right hemisphere. Language comprehension may be hemispherically dissociated from language production. We investigated the lesion characteristics driving inter-hemispheric reorganization of language comprehension and language production in 19 patients (7-32years; eight females) with congenital left-hemispheric brain lesions (periventricular lesions [n=11] and middle cerebral artery infarctions [n=8]) by fMRI. 16/17 patients demonstrated reorganized language production, while 7/19 patients had reorganized language comprehension. Lesions to the insular cortex and the temporo-parietal junction (predominantly supramarginal gyrus) were significantly more common in patients in whom both, language production and comprehension were reorganized. These areas belong to the dorsal stream of the language network, participating in the auditory-motor integration of language. Our data suggest that the integrity of this stream might be crucial for a normal left-lateralized language development. Copyright © 2017. Published by Elsevier Inc.

  1. Sleep Strengthens but does Not Reorganize Memory Traces in a Verbal Creativity Task.

    Science.gov (United States)

    Landmann, Nina; Kuhn, Marion; Maier, Jonathan-Gabriel; Feige, Bernd; Spiegelhalder, Kai; Riemann, Dieter; Nissen, Christoph

    2016-03-01

    Sleep after learning promotes the quantitative strengthening of new memories. Less is known about the impact of sleep on the qualitative reorganization of memory content. This study tested the hypothesis that sleep facilitates both memory strengthening and reorganization as indexed by a verbal creativity task. Sixty healthy university students (30 female, 30 male, 20-30 years) were investigated in a randomized, controlled parallel-group study with three experimental groups (sleep, sleep deprivation, daytime wakefulness). At baseline, 60 items of the Compound Remote Associate (CRA) task were presented. At retest after the experimental conditions, the same items were presented again together with 20 new control items to disentangle off-line incubation from online performance effects. Sleep significantly strengthened formerly encoded memories in comparison to both wake conditions (improvement in speed of correctly resolved items). Offline reorganization was not enhanced following sleep, but was enhanced following sleep-deprivation in comparison to sleep and daytime wakefulness (solution time of previously incubated, newly solved items). Online performance did not differ between the groups (solution time of new control items). The results support the notion that sleep promotes the strengthening, but not the reorganization, of newly encoded memory traces in a verbal creativity task. Future studies are needed to further determine the impact of sleep on different types of memory reorganization, such as associative thinking, creativity and emotional memory processing, and potential clinical translations, such as the augmentation of psychotherapy through sleep interventions. © 2016 Associated Professional Sleep Societies, LLC.

  2. Insecticide solvents: interference with insecticidal action.

    Science.gov (United States)

    Brattsten, L B; Wilkinson, C F

    1977-06-10

    Several commercial solvent mixtures commonly used as insecticide carriers in spray formulations increase by more than threefold the microsomal N-demethylation of p-chloro N-methylaniline in midgut preparations of southern army-worm (Spodoptera eridania) larvae exposed orally to the test solvents. Under laboratory conditions, the same solvent mixtures exhibit a protective action against the in vivo toxicity of the insecticide carbaryl to the larvae. The data are discussed with respect to possible solvent-insecticide interactions occurring under field conditions and, more broadly, to potential toxicological hazards of these solvents to humans.

  3. Organic solvents in electromembrane extraction: recent insights

    DEFF Research Database (Denmark)

    Huang, Chuixiu; Gjelstad, Astrid; Pedersen-Bjergaard, Stig

    2016-01-01

    the introduction. Under the influence of an electrical field, EME is based on electrokinetic migration of the analytes through a supported liquid membrane (SLM), which is an organic solvent immobilized in the pores of the polymeric membrane, and into the acceptor solution. Up to date, close to 150 research...... articles with focus on EME have been published. The current review summarizes the performance of EME with different organic solvents and discusses several criteria for efficient solvents in EME. In addition, the authors highlight their personal perspective about the most promising organic solvents for EME...... and have indicated that more fundamental work is required to investigate and discover new organic solvents for EME....

  4. Presurgical fMRI evaluation of cerebral reorganization and motor deficit in patients with tumors and vascular malformations

    International Nuclear Information System (INIS)

    Baciu, M.; Le Bas, J.F.; Segebarth, C.; Benabid, A.L.

    2003-01-01

    The aim of this fMRI study was to evaluate the motor reorganization (cerebral plasticity) and the risk of motor deficit in patients presenting with tumors and vascular malformations, within the framework of their pre-surgical planning. Functional MR imaging data was obtained from 17 patients. Ten patients (seven with tumors and three with vascular malformations) presented with motor reorganization. The results of the present study suggest that the evaluation of the cerebral reorganization is an essential step in predicting the risk of motor deficit in patients having surgical indication for treatment. Furthermore, the cerebral reorganization constitutes an important factor for surgical decision

  5. DESCRIPTION OF THE ORGANIZATIONAL AND TECHNOLOGICAL PROCESSES ON THE GROUND OF THE BASIC MODEL OF THE CYCLE OF REORGANIZATION

    Directory of Open Access Journals (Sweden)

    Gazaryan Robert Kamoevich

    2012-12-01

    Full Text Available The objective of this scientific research is application of the basic model of interaction between phases of a cycle of reorganization of organizational and technological processes underway at industrial enterprises. The authors describe interactions between all six phases of the process of reorganization within the framework of the basic model of a cycle that contemplates organizational and technological processes. Engineering studies are necessary to check for the feasibility of reorganization of industrial enterprises and application of results extracted from the design documentation with a view to reorganization of production activities and construction operations. Upon completion of the decision-making process concerning the need for reorganization in accordance with the basic model of interaction between phases, there occurs restructuring that incorporates processes of design and construction. The authors have demonstrated that reorganization of the basic model cycle should be used in the design of organizational and technological processes with a view to the integrated consideration of reorganization of enterprises in order to comprehend and improve the efficiency of reorganization at each stage, as well as the control over the reorganization of a construction facility.

  6. Solvent Carryover Characterization and Recovery for a 10-inch Single Stage Centrifugal Contactor

    International Nuclear Information System (INIS)

    Lentsch, R.D.; Stephens, A.B.; Leung, D.T.; Baffling, K.E.; Harmon, H.D.; Suggs, P.C.

    2006-01-01

    A test program has been performed to characterize the organic solvent carryover and recovery from centrifugal contactors in the Caustic-side Solvent Extraction (CSSX) process. CSSX is the baseline design for removing cesium from salt solutions for Department of Energy (DOE) Savannah River Site's Salt Waste Processing Facility. CSSX uses a custom solvent to extract cesium from the salt solution in a series of single stage centrifugal contactors. Meeting the Waste Acceptance Criteria at the Defense Waste Processing Facility and Saltstone, as well as plant economics, dictate that solvent loss should be kept to a minimum. Solvent droplet size distribution in the aqueous outlet streams of the CSSX contactors is of particular importance to the design of solvent recovery equipment. Because insufficient solvent droplet size data existed to form a basis for the recovery system design, DOE funded the CSSX Solvent Carryover Characterization and Recovery Test (SCCRT). This paper presents the droplet size distribution of solvent and concentration in the contactor aqueous outlet streams as a function of rotor speed, bottom plate type, and flow rate. It also presents the performance data of a prototype coalescer. (authors)

  7. A major reorganization of Asian climate by the early Miocene

    Directory of Open Access Journals (Sweden)

    Z. T. Guo

    2008-08-01

    circulations, one from the ocean carrying moisture and another from the inland deserts transporting dust. The formation of the early Miocene paleosols resulted from interactive soil forming and dust deposition processes in these two seasonally alternating monsoonal circulations. The much stronger development of the early Miocene soils compared to those in the Quaternary loess indicates that summer monsoons were either significantly stronger, more persistent through the year, or both.

    These lines of evidence indicate a joint change in circulation and inland aridity by the early Miocene and suggest a dynamic linkage of them. Our recent sensitivity tests with a general circulation model, along with relevant geological data, suggest that the onset of these contrasting wet/dry responses, as well as the change from the "planetary" subtropical aridity pattern to the "inland" aridity pattern, resulted from the combined effects of Tibetan uplift and withdrawal of the Paratethys seaway in central Asia, as suggested by earlier experiments. The spreading of South China Sea also helped to enhance the south-north contrast of humidity. The Miocene loess record provides a vital insight that these tectonic factors had evolved by the early Miocene to a threshold sufficient to cause this major climate reorganization in Asia.

  8. Solvent extraction of radionuclides from aqueous tank waste

    International Nuclear Information System (INIS)

    Moyer, B.A.; Bonnesen, P.V.; Sachleben, R.A.

    1997-01-01

    This task aims toward the development of efficient solvent-extraction processes for the removal of the fission products 99 Tc, 90 Sr, and 137 Cs from alkaline tank wastes. Processes already developed or proposed entail direct treatment of the waste solution with the solvent and subsequent stripping of the extracted contaminants from the solvent into a dilute aqueous solution. Working processes to remove Tc(and SR) separately and Cs separately have been developed; the feasibility of a combined process is under investigation. Since Tc, Sr, and Cs will be vitrified together in the high-level fraction, however, a process that could separate Tc, Sr, and Cs simultaneously, as opposed to sequentially, potentially offers the greatest impact. A figure presents a simplified diagram of a proposed solvent-extraction cycle followed by three possible treatments for the stripping solution. Some degree of recycle of the stripping solution (option a) is expected. Simple evaporation (option c) is possible prior to vitrification; this offers the greatest possible volume reduction with simple operation and no consumption of chemicals, but it is energy intensive. However, if the contaminants are concentrated (option b) by fixed-bed technology, the energy penalty of evaporation can be avoided and vitrification facilitated without any additional secondary waste being produced

  9. Ultrathin Hydrophobic Coatings Obtained on Polyethylene Terephthalate Materials in Supercritical Carbon Dioxide with Co-Solvents

    Science.gov (United States)

    Kumeeva, T. Yu.; Prorokova, N. P.

    2018-02-01

    The surface properties of ultradisperse polytetrafluoroethylene coatings on polyethylene terephthalate materials modified in a supercritical carbon dioxide medium with co-solvent additions (aliphatic alcohols) were analyzed. An atomic force microscopy study revealed the peculiarities of the morphology of the hydrophobic coatings formed in the presence of co-solvents. The contribution of the co-solvents to the formation of the surface layer with a low surface energy was evaluated from the surface energy components of the modified polyester material. The stability of the coatings against dry friction was analyzed.

  10. Heterochromatin Reorganization during Early Mouse Development Requires a Single-Stranded Noncoding Transcript

    Directory of Open Access Journals (Sweden)

    Miguel Casanova

    2013-09-01

    Full Text Available The equalization of pericentric heterochromatin from distinct parental origins following fertilization is essential for genome function and development. The recent implication of noncoding transcripts in this process raises questions regarding the connection between RNA and the nuclear organization of distinct chromatin environments. Our study addresses the interrelationship between replication and transcription of the two parental pericentric heterochromatin (PHC domains and their reorganization during early embryonic development. We demonstrate that the replication of PHC is dispensable for its clustering at the late two-cell stage. In contrast, using parthenogenetic embryos, we show that pericentric transcripts are essential for this reorganization independent of the chromatin marks associated with the PHC domains. Finally, our discovery that only reverse pericentric transcripts are required for both the nuclear reorganization of PHC and development beyond the two-cell stage challenges current views on heterochromatin organization.

  11. Advanced integrated solvent extraction systems

    Energy Technology Data Exchange (ETDEWEB)

    Horwitz, E.P.; Dietz, M.L.; Leonard, R.A. [Argonne National Lab., IL (United States)

    1997-10-01

    Advanced integrated solvent extraction systems are a series of novel solvent extraction (SX) processes that will remove and recover all of the major radioisotopes from acidic-dissolved sludge or other acidic high-level wastes. The major focus of this effort during the last 2 years has been the development of a combined cesium-strontium extraction/recovery process, the Combined CSEX-SREX Process. The Combined CSEX-SREX Process relies on a mixture of a strontium-selective macrocyclic polyether and a novel cesium-selective extractant based on dibenzo 18-crown-6. The process offers several potential advantages over possible alternatives in a chemical processing scheme for high-level waste treatment. First, if the process is applied as the first step in chemical pretreatment, the radiation level for all subsequent processing steps (e.g., transuranic extraction/recovery, or TRUEX) will be significantly reduced. Thus, less costly shielding would be required. The second advantage of the Combined CSEX-SREX Process is that the recovered Cs-Sr fraction is non-transuranic, and therefore will decay to low-level waste after only a few hundred years. Finally, combining individual processes into a single process will reduce the amount of equipment required to pretreat the waste and therefore reduce the size and cost of the waste processing facility. In an ongoing collaboration with Lockheed Martin Idaho Technology Company (LMITCO), the authors have successfully tested various segments of the Advanced Integrated Solvent Extraction Systems. Eichrom Industries, Inc. (Darien, IL) synthesizes and markets the Sr extractant and can supply the Cs extractant on a limited basis. Plans are under way to perform a test of the Combined CSEX-SREX Process with real waste at LMITCO in the near future.

  12. Inter-hemispheric language functional reorganization in low-grade glioma patients after tumour surgery.

    Science.gov (United States)

    Kristo, Gert; Raemaekers, Mathijs; Rutten, Geert-Jan; de Gelder, Beatrice; Ramsey, Nick F

    2015-03-01

    Despite many claims of functional reorganization following tumour surgery, empirical studies that investigate changes in functional activation patterns are rare. This study investigates whether functional recovery following surgical treatment in patients with a low-grade glioma in the left hemisphere is linked to inter-hemispheric reorganization. Based on literature, we hypothesized that reorganization would induce changes in the spatial pattern of activation specifically in tumour homologue brain areas in the healthy right hemisphere. An experimental group (EG) of 14 patients with a glioma in the left hemisphere near language related brain areas, and a control group of 6 patients with a glioma in the right, non-language dominant hemisphere were scanned before and after resection. In addition, an age and gender matched second control group of 18 healthy volunteers was scanned twice. A verb generation task was used to map language related areas and a novel technique was used for data analysis. Contrary to our hypothesis, we found that functional recovery following surgery of low-grade gliomas cannot be linked to functional reorganization in language homologue brain areas in the healthy, right hemisphere. Although elevated changes in the activation pattern were found in patients after surgery, these were largest in brain areas in proximity to the surgical resection, and were very similar to the spatial pattern of the brain shift following surgery. This suggests that the apparent perilesional functional reorganization is mostly caused by the brain shift as a consequence of surgery. Perilesional functional reorganization can however not be excluded. The study suggests that language recovery after transient post-surgical language deficits involves recovery of functioning of the presurgical language system. Copyright © 2014 Elsevier Ltd. All rights reserved.

  13. Energy

    International Nuclear Information System (INIS)

    Meister, F.; Ott, F.

    2002-01-01

    This chapter gives an overview of the current energy economy in Austria. The Austrian political aims of sustainable development and climate protection imply a reorientation of the Austrian energy policy as a whole. Energy consumption trends (1993-1998), final energy consumption by energy carrier (indexed data 1993-1999), comparative analysis of useful energy demand (1993 and 1999) and final energy consumption of renewable energy sources by sector (1996-1999) in Austria are given. The necessary measures to be taken in order to reduce the energy demand and increased the use of renewable energy are briefly mentioned. Figs. 5. (nevyjel)

  14. World nuclear power generation market and prospects of industry reorganization

    International Nuclear Information System (INIS)

    Murakami, Tomoko

    2007-01-01

    In late years there are many trends placing nuclear energy with important energy in various countries in the world due to a remarkable rise to an energy price, importance of energy security and a surge of recognition to a global environment problem. Overseas nuclear industry's acquisition by a Japanese nuclear power plant maker and its capital or business tie-up with an overseas company, were announced in succession in 2006. A nuclear power plant maker has played an extremely important role supporting wide technology in all stages of a design, construction, operation and maintenance in a nuclear power generation business. After having surveyed the recent trend of world nuclear power generation situation, a background and the summary of these acquisition/tie-ups made were investigated and analyzed to consider the influence that movement of such an industry gives a world nuclear power generation market. (T. Tanaka)

  15. Energy

    International Nuclear Information System (INIS)

    Meister, F.

    2001-01-01

    This chapter of the environmental control report deals with the environmental impact of energy production, energy conversion, atomic energy and renewable energy. The development of the energy consumption in Austria for the years 1993 to 1999 is given for the different energy types. The development of the use of renewable energy sources in Austria is given, different domestic heat-systems are compared, life cycles and environmental balance are outlined. (a.n.)

  16. Theory of polyelectrolytes in solvents.

    Science.gov (United States)

    Chitanvis, Shirish M

    2003-12-01

    Using a continuum description, we account for fluctuations in the ionic solvent surrounding a Gaussian, charged chain and derive an effective short-ranged potential between the charges on the chain. This potential is repulsive at short separations and attractive at longer distances. The chemical potential can be derived from this potential. When the chemical potential is positive, it leads to a meltlike state. For a vanishingly low concentration of segments, this state exhibits scaling behavior for long chains. The Flory exponent characterizing the radius of gyration for long chains is calculated to be approximately 0.63, close to the classical value obtained for second order phase transitions. For short chains, the radius of gyration varies linearly with N, the chain length, and is sensitive to the parameters in the interaction potential. The linear dependence on the chain length N indicates a stiff behavior. The chemical potential associated with this interaction changes sign, when the screening length in the ionic solvent exceeds a critical value. This leads to condensation when the chemical potential is negative. In this state, it is shown using the mean-field approximation that spherical and toroidal condensed shapes can be obtained. The thickness of the toroidal polyelectrolyte is studied as a function of the parameters of the model, such as the ionic screening length. The predictions of this theory should be amenable to experimental verification.

  17. Local Alternative for Energy Supply : Performance Assessment of Integrated Community Energy Systems

    NARCIS (Netherlands)

    Koirala, B.P.; Chaves Avila, J.P.; Gomez, T.; Hakvoort, R.A.; Herder, P.M.

    2016-01-01

    Integrated community energy systems (ICESs) are emerging as a modern development to re-organize local energy systems allowing simultaneous integration of distributed energy resources (DERs) and engagement of local communities. Although local energy initiatives, such as ICESs are rapidly emerging due

  18. Mercuric iodide crystals obtained by solvent evaporation using ethanol

    International Nuclear Information System (INIS)

    Ugucioni, J.C.; Ghilardi Netto, T.; Mulato, M.

    2010-01-01

    Millimeter-sized mercuric iodide crystals were fabricated by the solvent evaporation technique using pure ethanol as a solvent. Three different conditions for solution evaporation were tested: (i) in the dark at room temperature; (ii) in the presence of light at room temperature and (iii) in an oven at 40 deg. C. Morphology, structure, optical and electrical properties were investigated using several techniques. Crystals fabricated in the dark show better properties and stability than others, possibly because the larger the energy of the system, the larger the number of induced growth defects. The crystals fabricated in the dark have adequate structure for higher resistivity and activation energy close to half the optical band-gap, as desired. With proper encapsulation these crystals might be good candidates for the development of ionizing radiation sensors.

  19. Application of non-aqueous solvents to batteries

    Science.gov (United States)

    Singh, P.

    1984-02-01

    The successful application of organic and aquo-organic solvents in lithium batteries and in zinc bromine batteries is discussed. Results are presented for a comparison of propylene carbonate and 50 percent propylene carbonate/acetonitrile for lithium intercalation cells at 25 C 1 M LiAsF6 as electrolyte and discharge at 2 mA/sq cm. Higher cathode utilization and energy efficiencies are achieved in PC/AN. It was found that the self-discharge problem of the zinc/bromine battery may be overcome by dissolving bromine and bromide salt in water-immiscible dipolar aprotic solvent-proprionitrile (PN). Cells using this PN/H2O two-phase system have an energy efficiency above 75 percent and coulombic efficiency above 85 percent.

  20. A novel technique to determine concentration-dependent solvent dispersion in Vapex

    Energy Technology Data Exchange (ETDEWEB)

    Abukhalifeh, H.; Lohi, A.; Upreti, S. R. [Department of Chemical Engineering, Ryerson University, 350 Victoria Street, Toronto, Ontario, M5B 2K3 (Canada)

    2009-07-01

    Vapex (vapor extraction of heavy oil and bitumen) is a promising recovery technology because it consumes low energy, and is very environmentally-friendly. The dispersion of solvents into heavy oil and bitumen is a crucial transport property governing Vapex. The accurate determination of solvent dispersion in Vapex is essential to effectively predict the amount and time scale of oil recovery as well to optimize the field operations. In this work, a novel technique is developed to experimentally determine the concentration-dependent dispersion coefficient of a solvent in Vapex process. The principles of variational calculus are utilized in conjunction with a mass transfer model of the experimental Vapex process. A computational algorithm is developed to optimally compute solvent dispersion as a function of its concentration in heavy oil. The developed technique is applied to Vapex utilizing propane as a solvent. The results show that dispersion of propane is a unimodal function of its concentration in bitumen. (author)

  1. A Novel Technique to Determine Concentration-Dependent Solvent Dispersion in Vapex

    Directory of Open Access Journals (Sweden)

    Hadil Abukhalifeh

    2009-10-01

    Full Text Available Vapex (vapor extraction of heavy oil and bitumen is a promising recovery technology because it consumes low energy, and is very environmentally-friendly. The dispersion of solvents into heavy oil and bitumen is a crucial transport property governing Vapex. The accurate determination of solvent dispersion in Vapex is essential to effectively predict the amount and time scale of oil recovery as well to optimize the field operations. In this work, a novel technique is developed to experimentally determine the concentration-dependent dispersion coefficient of a solvent in Vapex process. The principles of variational calculus are utilized in conjunction with a mass transfer model of the experimental Vapex process. A computational algorithm is developed to optimally compute solvent dispersion as a function of its concentration in heavy oil. The developed technique is applied to Vapex utilizing propane as a solvent. The results show that dispersion of propane is a unimodal function of its concentration in bitumen.

  2. The local phase transitions of the solvent in the neighborhood of a solvophobic polymer at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Budkov, Yu. A., E-mail: urabudkov@rambler.ru [G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Ivanovo (Russian Federation); National Research University Higher School of Economics, Moscow (Russian Federation); Department of Chemistry, Lomonosov Moscow State University, Moscow (Russian Federation); Vyalov, I. I. [Istituto Italiano di Tecnologia, via Morego 30, Genova 16163 (Italy); Kolesnikov, A. L. [Ivanovo State University, Ivanovo (Russian Federation); Institut für Nichtklassische Chemie e.V., Universitat Leipzig, Leipzig (Germany); Georgi, N., E-mail: bancocker@mail.ru [Max Planck Institute for Mathematics in the Sciences, Leipzig (Germany); Chuev, G. N. [Max Planck Institute for the Physics of Complex Systems, Dresden (Germany); Institute of Theoretical and Experimental Biophysics, Russian Academy of Science, Pushchino, Moscow Region (Russian Federation); Kiselev, M. G. [G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Ivanovo (Russian Federation); Department of Chemistry, Lomonosov Moscow State University, Moscow (Russian Federation)

    2014-11-28

    We investigate local phase transitions of the solvent in the neighborhood of a solvophobic polymer chain which is induced by a change of the polymer-solvent repulsion and the solvent pressure in the bulk solution. We describe the polymer in solution by the Edwards model, where the conditional partition function of the polymer chain at a fixed radius of gyration is described by a mean-field theory. The contributions of the polymer-solvent and the solvent-solvent interactions to the total free energy are described within the mean-field approximation. We obtain the total free energy of the solution as a function of the radius of gyration and the average solvent number density within the gyration volume. The resulting system of coupled equations is solved varying the polymer-solvent repulsion strength at high solvent pressure in the bulk. We show that the coil-globule (globule-coil) transition occurs accompanied by a local solvent evaporation (condensation) within the gyration volume.

  3. 46 CFR 391.8 - Certain corporate reorganizations and changes in partnerships, and certain transfers on death...

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 8 2010-10-01 2010-10-01 false Certain corporate reorganizations and changes in..., DEPARTMENT OF TRANSPORTATION REGULATIONS UNDER PUBLIC LAW 91-469 FEDERAL INCOME TAX ASPECTS OF THE CAPITAL CONSTRUCTION FUND § 391.8 Certain corporate reorganizations and changes in partnerships, and certain transfers...

  4. 75 FR 61696 - Foreign-Trade Zone 51-Duluth, MN; Application for Reorganization Under Alternative Site Framework

    Science.gov (United States)

    2010-10-06

    ... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [Docket 58-2010] Foreign-Trade Zone 51--Duluth... FTZ 51, requesting authority to reorganize the zone under the alternative site framework (ASF) adopted... or reorganizing a general-purpose zone, the application would have no impact on FTZ 51's authorized...

  5. Sustainable development of gree solvent separation process

    OpenAIRE

    Lisickov, Kiril; Fidancevska, Emilija; Grujic, Radoslav; Srebrenkoska, Vineta; Kuvendziev, Stefan

    2011-01-01

    Solvents defi ne a major part of the environmental performance of processes in the chemical industry and impact on cost, safety and health issues. The idea of green solvents expresses the goal to minimize the environmental impact resulting from the use of solvents in chemical production. In spite of conventional separation methods, precise process green technologies are based on the application of modern processes and process equipment as well as control and management...

  6. Supercritical solvent extraction of oil sand bitumen

    Science.gov (United States)

    Imanbayev, Ye. I.; Ongarbayev, Ye. K.; Tileuberdi, Ye.; Mansurov, Z. A.; Golovko, A. K.; Rudyk, S.

    2017-08-01

    The supercritical solvent extraction of bitumen from oil sand studied with organic solvents. The experiments were performed in autoclave reactor at temperature above 255 °C and pressure 29 atm with stirring for 6 h. The reaction resulted in the formation of coke products with mineral part of oil sands. The remaining products separated into SARA fractions. The properties of the obtained products were studied. The supercritical solvent extraction significantly upgraded extracted natural bitumen.

  7. Canyon solvent cleaning with activated alumina

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

    This paper presents recent work at SRL concerning the cleaning of solvent extraction solvent used at SRP. The paper explains why we undertook the work, and some laboratory studies on two approaches to solvent cleaning, namely extended carbonate washing and use of solid adsorbents. The paper then discusses scale-up of the preferred method and the results of the full-scale cleaning. 19 figs

  8. Decontamination of process equipment using recyclable chelating solvent

    Energy Technology Data Exchange (ETDEWEB)

    Jevec, J.; Lenore, C.; Ulbricht, S. [Babcock & Wilcox, Co., R& DD, Alliance, OH (United States)

    1995-10-01

    The Department of Energy (DOE) is now faced with the task of meeting decontamination and decommissioning obligations at numerous facilities by the year 2019. Due to the tremendous volume of material involved, innovative decontamination technologies are being sought that can reduce the volumes of contaminated waste materials and secondary wastes requiring disposal. This report describes the results of the performance testing of chelates and solvents for the dissolution of uranium.

  9. Wannier-function-based constrained DFT with nonorthogonality-correcting Pulay forces in application to the reorganization effects in graphene-adsorbed pentacene

    Science.gov (United States)

    Roychoudhury, Subhayan; O'Regan, David D.; Sanvito, Stefano

    2018-05-01

    Pulay terms arise in the Hellmann-Feynman forces in electronic-structure calculations when one employs a basis set made of localized orbitals that move with their host atoms. If the total energy of the system depends on a subspace population defined in terms of the localized orbitals across multiple atoms, then unconventional Pulay terms will emerge due to the variation of the orbital nonorthogonality with ionic translation. Here, we derive the required exact expressions for such terms, which cannot be eliminated by orbital orthonormalization. We have implemented these corrected ionic forces within the linear-scaling density functional theory (DFT) package onetep, and we have used constrained DFT to calculate the reorganization energy of a pentacene molecule adsorbed on a graphene flake. The calculations are performed by including ensemble DFT, corrections for periodic boundary conditions, and empirical Van der Waals interactions. For this system we find that tensorially invariant population analysis yields an adsorbate subspace population that is very close to integer-valued when based upon nonorthogonal Wannier functions, and also but less precisely so when using pseudoatomic functions. Thus, orbitals can provide a very effective population analysis for constrained DFT. Our calculations show that the reorganization energy of the adsorbed pentacene is typically lower than that of pentacene in the gas phase. We attribute this effect to steric hindrance.

  10. Theoretical study of solvent effects on the coil-globule transition

    Science.gov (United States)

    Polson, James M.; Opps, Sheldon B.; Abou Risk, Nicholas

    2009-06-01

    The coil-globule transition of a polymer in a solvent has been studied using Monte Carlo simulations of a single chain subject to intramolecular interactions as well as a solvent-mediated effective potential. This solvation potential was calculated using several different theoretical approaches for two simple polymer/solvent models, each employing hard-sphere chains and hard-sphere solvent particles as well as attractive square-well potentials between some interaction sites. For each model, collapse is driven by variation in a parameter which changes the energy mismatch between monomers and solvent particles. The solvation potentials were calculated using two fundamentally different methodologies, each designed to predict the conformational behavior of polymers in solution: (1) the polymer reference interaction site model (PRISM) theory and (2) a many-body solvation potential (MBSP) based on scaled particle theory introduced by Grayce [J. Chem. Phys. 106, 5171 (1997)]. For the PRISM calculations, two well-studied solvation monomer-monomer pair potentials were employed, each distinguished by the closure relation used in its derivation: (i) a hypernetted-chain (HNC)-type potential and (ii) a Percus-Yevick (PY)-type potential. The theoretical predictions were each compared to results obtained from explicit-solvent discontinuous molecular dynamics simulations on the same polymer/solvent model systems [J. Chem. Phys. 125, 194904 (2006)]. In each case, the variation in the coil-globule transition properties with solvent density is mostly qualitatively correct, though the quantitative agreement between the theory and prediction is typically poor. The HNC-type potential yields results that are more qualitatively consistent with simulation. The conformational behavior of the polymer upon collapse predicted by the MBSP approach is quantitatively correct for low and moderate solvent densities but is increasingly less accurate for higher densities. At high solvent densities

  11. Process for hydrogenating coal and coal solvents

    Energy Technology Data Exchange (ETDEWEB)

    Shridharani, K.G.; Tarrer, A.R.

    1983-02-15

    A novel process is described for the hydrogenation of coal by the hydrogenation of a solvent for the coal in which the hydrogenation of the coal solvent is conducted in the presence of a solvent hydrogenation catalyst of increased activity, wherein the hydrogenation catalyst is produced by reacting ferric oxide with hydrogen sulfide at a temperature range of 260/sup 0/ C to 315/sup 0/ C in an inert atmosphere to produce an iron sulfide hydrogenation catalyst for the solvent. Optimally, the reaction temperature is 275/sup 0/ C. Alternately, the reaction can be conducted in a hydrogen atmosphere at 350/sup 0/ C.

  12. Process for hydrogenating coal and coal solvents

    Science.gov (United States)

    Tarrer, Arthur R.; Shridharani, Ketan G.

    1983-01-01

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

  13. Aminosilicone solvent recovery methods and systems

    Science.gov (United States)

    Spiry, Irina Pavlovna; Perry, Robert James; Wood, Benjamin Rue; Singh, Surinder Prabhjot; Farnum, Rachel Lizabeth; Genovese, Sarah Elizabeth

    2018-02-13

    The present invention is directed to aminosilicone solvent recovery methods and systems. The methods and systems disclosed herein may be used to recover aminosilicone solvent from a carbon dioxide containing vapor stream, for example, a vapor stream that leaves an aminosilicone solvent desorber apparatus. The methods and systems of the invention utilize a first condensation process at a temperature from about 80.degree. C. to about 150.degree. C. and a second condensation process at a temperature from about 5.degree. C. to about 75.degree. C. The first condensation process yields recovered aminosilicone solvent. The second condensation process yields water.

  14. Molecular Thermodynamic Modeling of Mixed Solvent Solubility

    DEFF Research Database (Denmark)

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

    2010-01-01

    A method based on statistical mechanical fluctuation solution theory for composition derivatives of activity coefficients is employed for estimating dilute solubilities of 11 solid pharmaceutical solutes in nearly 70 mixed aqueous and nonaqueous solvent systems. The solvent mixtures range from...... nearly ideal to strongly nonideal. The database covers a temperature range from 293 to 323 K. Comparisons with available data and other existing solubility methods show that the method successfully describes a variety of observed mixed solvent solubility behaviors using solute−solvent parameters from...

  15. Solution thermodynamics of valnemulin hydrogen fumarate in different pure solvents

    International Nuclear Information System (INIS)

    Ouyang, Jinbo; Wang, Jingkang; Huang, Xin; Bao, Ying; Wang, Yongli; Yin, Qiuxiang; Liu, Ailing; Li, Xudong; Hao, Hongxun

    2015-01-01

    Highlights: • The solubility of valnemulin hydrogen fumarate in five pure solvents was experimentally determined. • The solubility data were correlated by Wilson model, NRTL model and UNIQUAC model. • Mixing thermodynamic properties of valnemulin hydrogen fumarate in five pure solvents were calculated. - Abstract: Solubility of valnemulin hydrogen fumarate in five pure solvents was determined within temperature range of (278.15 to 323.15) K by a gravimetric method. The results show that the solubility of valnemulin hydrogen fumarate in tested pure solvents increases with the increasing temperature. The solubility values were correlated by the Wilson model, NRTL model and UNIQUAC model. The UNIQUAC volume parameter, area parameter, and Wilson liquid molar volume parameter of valnemulin hydrogen fumarate were estimated by the group contribution method. It was found that the correlated results are in good agreement with the experimental results. Furthermore, the mixing thermodynamic properties of valnemulin hydrogen fumarate in solutions, including the mixing Gibbs energy, the mixing enthalpy and entropy, were determined by using the Wilson model and the experimental solubility results.

  16. Solvent recyclability in a multistep direct liquefaction process

    Energy Technology Data Exchange (ETDEWEB)

    Hetland, M.D.; Rindt, J.R. [Univ. of North Dakota, Grand Forks, ND (United States)

    1995-12-31

    Direct liquefaction research at the Energy & Environmental Research Center (EERC) has, for a number of years, concentrated on developing a direct liquefaction process specifically for low-rank coals (LRCs) through the use of hydrogen-donating solvents and solvents similar to coal-derived liquids, the water/gas shift reaction, and lower-severity reaction conditions. The underlying assumption of all of the research was that advantage could be taken of the reactivity and specific qualities of LRCs to produce a tetrahydrofuran (THF)-soluble material that might be easier to upgrade than the soluble residuum produced during direct liquefaction of high-rank coals. A multistep approach was taken to produce the THF-soluble material, consisting of (1) preconversion treatment to prepare the coal for solubilization, (2) solubilization of the coal in the solvent, and (3) polishing to complete solubilization of the remaining material. The product of these three steps can then be upgraded during a traditional hydrotreatment step. The results of the EERC`s research indicated that additional studies to develop this process more fully were justified. Two areas were targeted for further research: (1) determination of the recyclability of the solvent used during solubilization and (2) determination of the minimum severity required for hydrotreatment of the liquid product. The current project was funded to investigate these two areas.

  17. Prospects for Public School Revenues and Local School District Reorganization in Illinois in the 1980s.

    Science.gov (United States)

    Geske, Terry G.

    Prospects for Illinois public school revenues and school district reorganization in the 1980's, considered in the context of prospects for the Great Lakes region as a whole, are affected by fundamental demographic and economic changes. The region has had a lower population growth rate since 1970 than the rest of the country, and a slower growth in…

  18. 13 CFR 108.470 - SBA approval of merger, consolidation, or reorganization of NMVC Company.

    Science.gov (United States)

    2010-01-01

    ... BUSINESS ADMINISTRATION NEW MARKETS VENTURE CAPITAL (âNMVCâ) PROGRAM Changes in Ownership, Structure, or Control Change in Structure of Nmvc Company § 108.470 SBA approval of merger, consolidation, or reorganization of NMVC Company. You may not merge, consolidate, change form of organization (corporation or...

  19. 13 CFR 107.470 - SBA approval of merger, consolidation, or reorganization of Licensee.

    Science.gov (United States)

    2010-01-01

    ... BUSINESS ADMINISTRATION SMALL BUSINESS INVESTMENT COMPANIES Changes in Ownership, Control, or Structure of Licensee; Transfer of License Change in Structure of Licensee § 107.470 SBA approval of merger..., change form of organization (corporation or partnership) or reorganize without SBA's prior written...

  20. Sleep EEG Changes during Adolescence: An Index of a Fundamental Brain Reorganization

    Science.gov (United States)

    Feinberg, Irwin; Campbell, Ian G.

    2010-01-01

    Delta (1-4 Hz) EEG power in non-rapid eye movement (NREM) sleep declines massively during adolescence. This observation stimulated the hypothesis that during adolescence the human brain undergoes an extensive reorganization driven by synaptic elimination. The parallel declines in synaptic density, delta wave amplitude and cortical metabolic rate…

  1. 26 CFR 1.368-1 - Purpose and scope of exception of reorganization exchanges.

    Science.gov (United States)

    2010-04-01

    ... target corporation's (T's) historic business or use a significant portion of T's historic business assets.... However, all other facts and circumstances, such as the net fair market value of those assets, will be... interests in the target corporation be preserved in the reorganization. A proprietary interest in the target...

  2. 77 FR 44582 - Reorganization of Foreign-Trade Zone 183 Under Alternative Site Framework; Austin, TX

    Science.gov (United States)

    2012-07-30

    ... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [Order No. 1843] Reorganization of Foreign-Trade Zone 183 Under Alternative Site Framework; Austin, TX Pursuant to its authority under the Foreign-Trade... Austin Customs and Border Protection port of entry, and FTZ 183's existing Sites 1 through 24 would be...

  3. 75 FR 42377 - Foreign-Trade Zone 244-Riverside County, CA; Application for Reorganization Under Alternative...

    Science.gov (United States)

    2010-07-21

    ... application and case record and to report findings and recommendations to the Board. Public comment is invited...--Riverside County, CA; Application for Reorganization Under Alternative Site Framework An application has been submitted to the Foreign-Trade Zones (FTZ) Board (the Board) by the March Joint Powers Authority...

  4. Bilateral reorganization of the dentate gyrus in hippocampal sclerosis: a postmortem study.

    Science.gov (United States)

    Thom, M; Martinian, L; Catarino, C; Yogarajah, M; Koepp, M J; Caboclo, L; Sisodiya, S M

    2009-09-29

    Hippocampal sclerosis (HS) is the most common surgical pathology associated with mesial temporal lobe epilepsy (MTLE). HS is typically characterized by mossy fiber sprouting (MFS) and reorganization of neuropeptide Y (NPY) fiber networks in the dentate gyrus. One potential cause of postoperative seizure recurrence following temporal lobe surgery may be the presence of seizure-associated bilateral hippocampal damage. We aimed to investigate patterns of hippocampal abnormalities in a postmortem series as identified by NPY and dynorphin immunohistochemistry. Analysis of dentate gyrus fiber reorganization, using dynorphin (to demonstrate MFS) and NPY immunohistochemistry, was carried out in a postmortem epilepsy series of 25 cases (age range 21-96 years). In 9 patients, previously refractory seizures had become well controlled for up to 34 years prior to death. Bilateral MFS or abnormal NPY patterns were seen in 15 patients including those with bilateral symmetric, asymmetric, and unilateral HS by conventional histologic criteria. MFS and NPY reorganization was present in all classical HS cases, more variably in atypical HS, present in both MTLE and non-MTLE syndromes and with seizure histories of up to 92 years, despite seizure remission in some patients. Synaptic reorganization in the dentate gyrus may be a bilateral, persistent process in epilepsy. It is unlikely to be sufficient to generate seizures and more likely to represent a seizure-induced phenomenon.

  5. 76 FR 16525 - Reorganization of Regulations on Control of Employment of Aliens

    Science.gov (United States)

    2011-03-24

    .... 3260-2011] RIN 1125-AA64 Reorganization of Regulations on Control of Employment of Aliens AGENCY... Aliens, 74 FR 2337 (Jan. 15, 2009). The Homeland Security Act of 2002, as amended, transferred the... about employment of aliens in the United States and did not discuss EOIR's interim rule. As neither...

  6. Kinetics of structural reorganizations in multilamellarphotosynthetic membranes monitored by small-angle neutronscattering

    DEFF Research Database (Denmark)

    Nagy, Gergely; Kovacs, Laszlo; Unnep, Renata

    2013-01-01

    and in unicellular organisms, we discuss the advantages and technical and methodological limitations of timeresolved SANS. We present a detailed and more systematical investigation of the kinetics of light-induced structural reorganizations in isolated spinach thylakoid membranes, which show how changes...

  7. 76 FR 4865 - Reorganization of Foreign-Trade Zone 104 Under Alternative Site Framework Savannah, GA

    Science.gov (United States)

    2011-01-27

    ... Commission, grantee of Foreign-Trade Zone 104, submitted an application to the Board (FTZ Docket 51-2010... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [Order No. 1736] Reorganization of Foreign-Trade Zone 104 Under Alternative Site Framework Savannah, GA Pursuant to its authority under the Foreign...

  8. 76 FR 28213 - Reorganization of Foreign-Trade Zone 51 Under Alternative Site Framework; Duluth, MN

    Science.gov (United States)

    2011-05-16

    ... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [Order No. 1758] Reorganization of Foreign-Trade Zone 51 Under Alternative Site Framework; Duluth, MN Pursuant to its authority under the Foreign-Trade... Foreign-Trade Zone 51, submitted an application to the Board (FTZ Docket 58-2010, filed 10/1/2010, amended...

  9. 77 FR 63289 - Foreign-Trade Zone 32-Miami, Florida; Application for Reorganization Under Alternative Site...

    Science.gov (United States)

    2012-10-16

    ... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [B-51-2012] Foreign-Trade Zone 32--Miami, Florida... submitted to the Foreign-Trade Zones Board (the Board) by the Greater Miami Foreign-Trade Zone, Inc., grantee of FTZ 32, to amend its application to reorganize FTZ 32 zone under the alternative site framework...

  10. Language localization in cases of left temporal lobe arachnoid cyst : Evidence against interhemispheric reorganization

    NARCIS (Netherlands)

    Stowe, LA; Go, KG; Pruim, J; den Dunnen, W; Meiners, LC; Paans, AMJ

    2000-01-01

    We investigated whether left-hemisphere arachnoid cysts lead to reorganization of the language function using PET. A group analysis demonstrated that patients showed no more right-hemisphere activation than a matched control group. Several patients had clear language localizations in the left

  11. Homotopic Language Reorganization in the Right Hemisphere after Early Left Hemisphere Injury

    Science.gov (United States)

    Tivarus, Madalina E.; Starling, Sarah J.; Newport, Elissa L.; Langfitt, John T.

    2012-01-01

    To determine the areas involved in reorganization of language to the right hemisphere after early left hemisphere injury, we compared fMRI activation patterns during four production and comprehension tasks in post-surgical epilepsy patients with either left (LH) or right hemisphere (RH) speech dominance (determined by Wada testing) and healthy…

  12. 78 FR 24154 - Notice of Availability of a National Animal Health Laboratory Network Reorganization Concept Paper

    Science.gov (United States)

    2013-04-24

    ...] Notice of Availability of a National Animal Health Laboratory Network Reorganization Concept Paper AGENCY... available a concept paper that describes a revised structure for the National Animal Health Laboratory... biological threats to the nation's food animals. The concept paper we are making available for comment...

  13. 78 FR 60695 - Regulatory Reorganization; Administrative Changes to Regulations Due to the Consolidation of the...

    Science.gov (United States)

    2013-10-02

    ... Consolidation of the Financial Management Service and the Bureau of the Public Debt Into the Bureau of the... Service''). The new bureau consolidated the bureaus formerly known as the Financial Management Service... Register on May 24, 2013. This consolidation requires reorganization of, and administrative changes to...

  14. 26 CFR 1.358-6 - Stock basis in certain triangular reorganizations.

    Science.gov (United States)

    2010-04-01

    ... corporation on the exchange of property for the assets or stock of a target corporation in a reorganization... percentage of T stock not acquired in the transaction is determined by taking into account the fair market... aggregate basis of $60 and fair market value of $100 and no liabilities. Pursuant to a plan, P forms S with...

  15. 78 FR 27953 - Reorganization of Foreign-Trade Zone 147 Under Alternative Site Framework Reading, Pennsylvania

    Science.gov (United States)

    2013-05-13

    ... terminate authority for Sites 20-22 if no foreign-status merchandise is admitted for a bona fide customs... Zone 147 Under Alternative Site Framework Reading, Pennsylvania Pursuant to its authority under the... application to the Board (FTZ Docket B-79-2012, docketed 11-1-2012) for authority to reorganize under the ASF...

  16. Helping Teams Work: Lessons Learned from the University of Arizona Library Reorganization.

    Science.gov (United States)

    Diaz, Joseph R.; Pintozzi, Chestalene

    1999-01-01

    Describes library reorganization at the University of Arizona resulting from fiscal challenges and the need for current technology. Highlights include: the restructuring process and customer focus; team functioning and the learning organization, including training issues, communication, empowerment, and evaluation/assessment; current challenges,…

  17. Differences in Brain Adaptive Functional Reorganization in Right and Left Total Brachial Plexus Injury Patients.

    Science.gov (United States)

    Feng, Jun-Tao; Liu, Han-Qiu; Xu, Jian-Guang; Gu, Yu-Dong; Shen, Yun-Dong

    2015-09-01

    Total brachial plexus avulsion injury (BPAI) results in the total functional loss of the affected limb and induces extensive brain functional reorganization. However, because the dominant hand is responsible for more cognitive-related tasks, injuries on this side induce more adaptive changes in brain function. In this article, we explored the differences in brain functional reorganization after injuries in unilateral BPAI patients. We applied resting-state functional magnetic resonance imaging scanning to 10 left and 10 right BPAI patients and 20 healthy control subjects. The amplitude of low-frequency fluctuation (ALFF), which is a resting-state index, was calculated for all patients as an indication of the functional activity level of the brain. Two-sample t-tests were performed between left BPAI patients and controls, right BPAI patients and controls, and between left and right BPAI patients. Two-sample t-tests of the ALFF values revealed that right BPAIs induced larger scale brain reorganization than did left BPAIs. Both left and right BPAIs elicited a decreased ALFF value in the right precuneus (P right BPAI patients exhibited increased ALFF values in a greater number of brain regions than left BPAI patients, including the inferior temporal gyrus, lingual gyrus, calcarine sulcus, and fusiform gyrus. Our results revealed that right BPAIs induced greater extents of brain functional reorganization than left BPAIs, which reflected the relatively more extensive adaptive process that followed injuries of the dominant hand. Copyright © 2015 Elsevier Inc. All rights reserved.

  18. 78 FR 73438 - Reorganization of Sector Baltimore and Hampton Roads; Conforming Amendments

    Science.gov (United States)

    2013-12-06

    ...-0251] RIN 1625-ZA32 Reorganization of Sector Baltimore and Hampton Roads; Conforming Amendments AGENCY... Roads' Marine Inspection Zone and Captain of the Port Zones. These conforming amendments are necessary... lines separating Sector Baltimore and Sector Hampton Roads. See Operating Facility Change Order (OFCO...

  19. 75 FR 30782 - Reorganization/Expansion of Foreign-Trade Zone 20; Hampton Roads, VA, Area

    Science.gov (United States)

    2010-06-02

    ... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [Order No. 1683] Reorganization/Expansion of Foreign-Trade Zone 20; Hampton Roads, VA, Area Pursuant to its authority under the Foreign-Trade Zones Act...) in the Hampton Roads, Virginia, area within the Norfolk Customs and Border Protection port of entry...

  20. Complete reorganization of the motor cortex of adult rats following long-term spinal cord injuries.

    Science.gov (United States)

    Tandon, Shashank; Kambi, Niranjan; Mohammed, Hisham; Jain, Neeraj

    2013-07-01

    Understanding brain reorganization following long-term spinal cord injuries is important for optimizing recoveries based on residual function as well as developing brain-controlled assistive devices. Although it has been shown that the motor cortex undergoes partial reorganization within a few weeks after peripheral and spinal cord injuries, it is not known if the motor cortex of rats is capable of large-scale reorganization after longer recovery periods. Here we determined the organization of the rat (Rattus norvegicus) motor cortex at 5 or more months after chronic lesions of the spinal cord at cervical levels using intracortical microstimulation. The results show that, in the rats with the lesions, stimulation of neurons in the de-efferented forelimb motor cortex no longer evokes movements of the forelimb. Instead, movements of the body parts in the adjacent representations, namely the whiskers and neck were evoked. In addition, at many sites, movements of the ipsilateral forelimb were observed at threshold currents. The extent of representations of the eye, jaw and tongue movements was unaltered by the lesion. Thus, large-scale reorganization of the motor cortex leads to complete filling-in of the de-efferented cortex by neighboring representations following long-term partial spinal cord injuries at cervical levels in adult rats. © 2013 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

  1. Solvent anode for plutonium purification

    International Nuclear Information System (INIS)

    Bowersox, D.F.; Fife, K.W.; Christensen, D.C.

    1986-01-01

    The purpose of this study is to develop a technique to allow complete oxidation of plutonium from the anode during plutonium electrorefining. This will eliminate the generation of a ''spent'' anode heel which requires further treatment for recovery. Our approach is to employ a solvent metal in the anode to provide a liquid anode pool throughout electrorefining. We use molten salts and metals in ceramic crucibles at 700 0 C. Our goal is to produce plutonium metal at 99.9% purity with oxidation and transfer of more than 98% of the impure plutonium feed metal from the anode into the salt and product phases. We have met these criteria in experiments on the 100 to 1000 g scale. We plan to scale our operations to 4 kg of feed plutonium and to optimize the process parameters

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

    Science.gov (United States)

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

    1973-01-01

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

  3. Cleanup of 7.5% tributyl phosphate/n-paraffin solvent-extraction solvent

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-02-01

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

  4. Implicit solvent simulations of DNA and DNA-protein complexes: Agreement with explicit solvent vs experiment

    Czech Academy of Sciences Publication Activity Database

    Chocholoušová, Jana; Feig, M.

    2006-01-01

    Roč. 110, č. 34 (2006), s. 17240-17251 ISSN 1520-6106 Keywords : implicit solvent * explicit solvent * protein DNA complex Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.115, year: 2006

  5. Energy

    International Nuclear Information System (INIS)

    Bobin, J.L.

    1996-01-01

    Object of sciences and technologies, energy plays a major part in economics and relations between nations. Jean-Louis Bobin, physicist, analyses the relations between man and energy and wonders about fears that delivers nowadays technologies bound to nuclear energy and about the fear of a possible shortage of energy resources. (N.C.). 17 refs., 14 figs., 2 tabs

  6. Reorganized bureaucracy improves E and P climate in USSR

    International Nuclear Information System (INIS)

    Coulter, K.T.

    1991-01-01

    This paper reports that as a result of the recently failed coup, the political atmosphere in the former USSR is changing in a way that the authors think has increased the potential for providing exploration and production services, mainly in the republics of Russia and Kazakhstan, which control most of the energy reserves. Some of the changes that the authors believe will take place faster than had been expected previously are: Convertibility of the ruble; More favorable conditions for foreign investment; Ownership of local resources by the republics; Increased demand for energy with declining production, necessitating Western service technology; Formation of oil and gas joint stock companies; Formation of Soviet oil and commodities exchanges; Local production associations will receive a greater share of output to pay for services and/or generate hard currency

  7. Unresolved trauma in mothers: intergenerational effects and the role of reorganization

    Science.gov (United States)

    Iyengar, Udita; Kim, Sohye; Martinez, Sheila; Fonagy, Peter; Strathearn, Lane

    2014-01-01

    A mother's unresolved trauma may interfere with her ability to sensitively respond to her infant, thus affecting the development of attachment in her own child, and potentially contributing to the intergenerational transmission of trauma. One novel construct within the Dynamic Maturational Model of Attachment and Adaptation (DMM) coding of the Adult Attachment Interview (AAI) is “reorganization,” a process whereby speakers are actively changing their understanding of past and present experiences and moving toward attachment security. We conducted a study of mothers with unresolved trauma, exploring their own attachment classification, attachment outcomes of their children, and the potential effects of reorganization on child attachment. Forty-seven first-time mothers participated in the AAI during pregnancy, and returned with their child at 11 months to assess child attachment using the Strange Situation Procedure. Mothers with and without unresolved trauma were compared. We found that mothers with unresolved trauma had insecure attachment themselves and were more likely to have infants with insecure attachment. However, the one exception was that all of the mothers with unresolved trauma who were reorganizing toward secure attachment had infants with secure attachment. These preliminary findings suggest that mothers who are reorganizing may be able to more sensitively respond to their child's cues, contributing to the development of secure attachment. While our results need to be replicated in a larger cohort, this study is the first to explore the construct of reorganization and its potential relationship with child attachment. If confirmed in future studies, it may provide clinical insight into the intergenerational transmission of insecure attachment within the context of unresolved trauma. PMID:25225490

  8. A drastic reorganization of industry in the world.What is the driving force

    Directory of Open Access Journals (Sweden)

    Shinji Naruo

    2010-05-01

    Full Text Available The purpose of this paper is to show the method and model to analyze the driving force to reorganize the industry. Due to the global economy, many large scale M&A and affiliations are happening in the world. The business alliance and integration are happening in the advanced countries, the transition countries, and the developing countries. There are some factors to impact the reorganization of industry. One is government policy. Another is the market economy. The government has the industrial policy. It guides and leads the industrial structure of the country. Advanced countries had experienced the advancement of industrial structure. On the process of industrial structure advancement, the country improved national income (GNP. Through the process, the enterprise in the industry had experienced integration and separation in the industry. The theory of industrial structure supports the framework of this approach.On the other hand, the market economy also had influenced to the reorganization of industry. Business cycle, competition, and innovation had influenced the reorganization of industry. In capitalism, the shareholder of the company pushes the company to maximize the profit. The shareholder’s pressure could influence the decision of M&A.The theory of industrial organization supports the framework of this approach.The enterprise is in the business environment. Top management of the company is responsible to make a decision to merge or acquire the company. However, the decision is affected by other factors out of business environment. The shareholder influenced the individual enterprise decision. The government policy influenced the industrial structure. This could impose the enterprise to accept the amalgamation in the industry.Both of two influence the reorganization of industry.

  9. Studies on catalytic hydrotreating of recycled solvents from coal liquefaction process. Part 1. Characteristics changes of recycled solvents during hydrotreating

    Energy Technology Data Exchange (ETDEWEB)

    Morimura, Y.; Nakata, S.; Yokota, Y.; Shirota, Y.; Nakamura, M. [Chiyoda Corp., Tokyo (Japan); Mitarai, Y. [Sumitomo Metal Mining Co. Ltd., Tokyo (Japan); Inoue, Y. [Nippon Ketjen Co. Ltd., Tokyo (Japan)

    1995-07-01

    A bituminous coal liquefaction process, called the NEDOL process, is under development by the New Energy and Industrial Technology Development Organization (NEDO). Important features of this process include the capacity to produce hydrogen-donatable solvents, obtained by hydrogenation of middle distillates of coal derived oils, and to recycle these solvents to a liquefaction stage as hydrogen donor solvents. These recycled solvents, obtained by liquefaction of Wandoan coal, and their catalytic hydrotreated oils, have been extensively characterized, using a variety of analytical methods. The following items have been examined and are discussed in this study: (1) Influence of chemical hydrogen consumption on the reactivities of hydrodesulfurization (HDS), hydrodenitrogenation (HDN), hydrodeoxygenation (HDO) and hydrogenation of aromatic-rings, during hydrotreating; (2) Changes in composition of hydrocarbon types, nitrogen- and oxygen-containing compounds, as a function of chemical hydrogen consumption; (3) Changes of average molecular weights; (4) Characteristics changes of oxygen- and nitrogen-containing compounds, and reactivities of HDO and HDN; (5) Characteristics changes of donatable hydrogen as a function of a degree of hydrogenation ({delta}fa). 14 refs., 14 figs., 3 tabs.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  11. Energy

    CERN Document Server

    Foland, Andrew Dean

    2007-01-01

    Energy is the central concept of physics. Unable to be created or destroyed but transformable from one form to another, energy ultimately determines what is and isn''t possible in our universe. This book gives readers an appreciation for the limits of energy and the quantities of energy in the world around them. This fascinating book explores the major forms of energy: kinetic, potential, electrical, chemical, thermal, and nuclear.

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

    Directory of Open Access Journals (Sweden)

    Peng Sang

    2016-02-01

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

  13. H.R. 788: This Act may be cited as the Uranium Enrichment Reorganization Act, introduced in the House of Representatives, One Hundred Second Congress, First Session, February 4, 1991

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    This bill would maintain a competitive, financially strong, and secure uranium enrichment capability in the US by reorganizing the uranium enrichment enterprise. The bill amends the Atomic Energy Act of 1954 by establishing the United States Uranium Enrichment Corporation. This bill describes general provisions; the establishment of the corporation; powers and duties of the corporation; organization, finance, and management; licensing, taxation, and miscellaneous provisions; decontamination, decommissioning, and remedial action

  14. Solvent effect on the rate and equilibrium of reaction between 10-phenylphenoxarsine and methyl iodide

    International Nuclear Information System (INIS)

    Gavrilov, V.I.; Gumerov, N.S.; Rakhmatullin, R.R.

    1990-01-01

    Effect of solvent nature on nucleophilic capacity of three-coordinated arsenic and the equilibrium state of 10-phenylphenoxarsine (PA) reaction with methyl iodide are studied. Kinetic investigations are carried out by the conductometry at 24,35,45 deg C. It is established that quaternization of PA with methyl iodide when substituting a solvent (ketone for alcohol) increases 3-14 times with simultaneous growth of the activation energy value. When transforming from aprotic solvents to protic ones PA interaction equilibrium with methyl iodide shifts to the side of arsonic salt formation

  15. Solvent-vapor-assisted imprint lithography

    NARCIS (Netherlands)

    Voicu, Nicoleta E.; Ludwigs, Sabine; Crossland, Edward J. W.; Andrew, Piers; Steiner, Ullrich

    2007-01-01

    Sub-micrometer features are replicated into high-molecular-weight polymer resists by using solvent-assisted nanoimprint lithography (see figure). By swelling the polymer in a controlled solvent-vapor atmosphere, millibar pressures and ambient temperatures are sufficient to achieve high-fidelity

  16. Into the depths of deep eutectic solvents

    NARCIS (Netherlands)

    Rodriguez, N.; Alves da Rocha, M.A.; Kroon, M.C.

    2015-01-01

    Ionic liquids (ILs) have been successfully tested in a wide range of applications; however, their high price and complicated synthesis make them infeasible for large scale implementation. A decade ago, a new generation of solvents so called deep eutectic solvents (DESs) was reported for the first

  17. Remediation of Contaminated Soils by Solvent Flushing

    NARCIS (Netherlands)

    Augustijn, Dionysius C.M.; Jessup, Ron E.; Rao, P. Suresh C.; Wood, A. Lynn

    1994-01-01

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

  18. Structuring of polymer solutions upon solvent evaporation

    NARCIS (Netherlands)

    Schaefer, C.; van der Schoot, P.|info:eu-repo/dai/nl/102140618; Michels, J. J.

    2015-01-01

    The morphology of solution-cast, phase-separated polymers becomes finer with increasing solvent evaporation rate. We address this observation theoretically for a model polymer where demixing is induced by steady solvent evaporation. In contrast to what is the case for a classical, thermal quench

  19. Safety confirmation study of TRUEX solvent by accelerating rate calorimeter (ARC)

    International Nuclear Information System (INIS)

    Sato, Yoshihiko; Hirumachi, Suguru; Takeda, Shinso; Kanazawa, Yoshito; Sasaya, Shinji

    1999-02-01

    In order to confirm the engineering safety on the TRUEX solvent (mixed solvent of CMPO/TBP/n-dodecane) for separating the transuranics from high-level activity liquid waste in advanced nuclear fuel recycling technological R and D, thermal behavior and pressure behavior in heating PUREX solvent (mixed solvent of 30% TBP-n-dodecane), TRUEX solvent and in the exothermic reaction of TRUEX solvent etc. and nitric acid in sealed adiabatic system which was severer condition than actual plant were measured by using accelerating rate calorimeter (ARC). The Arrhenius parameters (activation energy and frequency factor) which are necessary for the evaluation of reaction rate was examined from the measurement data in ARC. Analytical method and analysis condition of reaction products were examined in order to clarify chemical form of reaction products in exothermic reaction between solvent and nitric acid in ARC, and the qualitative evaluation was carried out. Main results are shown in the following. 1) TBP, CMPO, n-dodecane and 10 M nitric acid hardly exothermed in the simple substance. 2) On the solvent phase after the solvent contacted with 10 M nitric acid and the equilibrium has been attained (single-phase sample), the heat quantity per unit sample weight of the TRUEX solvent tended to be bigger than that of the PUREX solvent when heat quantity was evaluated in ARC. However, on the mixed sample of solvent and 10 M nitric acid enclosed in a sample container simultaneously (two phase system sample), the heat quantity per unit solvent weight was almost equivalent for PUREX solvent and TRUEX solvent. 3) The kinetic analysis was carried out, and on the TBP-10 M nitric acid single-phase sample, the activation energy of the reaction was evaluated to be 118 kJ/mol. Its activation energy was approximately equal to 112 kJ/mol by Nichols. The reaction rate constant was calculated, and it was shown that reaction rate constants of PUREX solvent-10 M nitric acid single-phase sample and

  20. Solvent distillations studies for a reprocessing plant

    International Nuclear Information System (INIS)

    Ginisty, C.; Guillaume, B.

    1989-01-01

    The substantial amounts of solvent used in large reprocessing plants are such that considerable care must be paid to solvent management to limit the production of organic wastes. The installation of intensive treatment by chemical regeneration serves to increase the service life of the solvent. General solvent management, combined with a distillation unit under reduced pressure also helps to recycle the two components of the solvent at a low activity level. Distillation also serves to remove the heavy degradation products that are generally responsible for poor hydraulic behavior and for the holdup of radioactive products such as plutonium, zirconium and ruthenium. From the safety standpoint, the flashpoint of the distilled diluent tends to rise. It can therefore be recycled without risk

  1. Method of decomposing radioactive organic solvent wastes

    International Nuclear Information System (INIS)

    Uki, Kazuo; Ichihashi, Toshio; Hasegawa, Akira; Sato, Tatsuaki

    1986-01-01

    Purpose: To decompose radioactive organic solvent wastes or radioactive hydrocarbon solvents separated therefrom into organic materials under moderate conditions, as well as greatly decrease the amount of secondary wastes generated. Method: Radioactive organic solvent wastes comprising an organic phosphoric acid ester ingredient and a hydrocarbon ingredient as a diluent therefor, or radioactive hydrocarbon solvents separated therefrom are oxidatively decomposed by hydrogen peroxide in an aqueous phosphoric acid solution of phosphoric acid metal salts finally into organic materials to perform decomposing treatment for the radioactive organic solvent wastes. The decomposing reaction is carried out under relatively moderate conditions and cause less burden to facilities or the likes. Further, since the decomposed liquid after the treatment can be reused for the decomposing reaction as a catalyst solution secondary wastes can significantly be decreased. (Yoshihara, H.)

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

    International Nuclear Information System (INIS)

    Bean, Keith Howard

    1997-01-01

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

  3. The chemistry of nonaqueous solvents v.4 solution phenomena and aprotic solvents

    CERN Document Server

    Lagowski, J J

    1976-01-01

    The Chemistry of Nonaqueous Solvents, Volume IV: Solution Phenomena and Aprotic Solvents focuses on the chemistry of nonaqueous solvents, with emphasis on solution phenomena and aprotic solvents such as tetramethylurea, inorganic acid chlorides, cyclic carbonates, and sulfolane. This book is organized into seven chapters and begins with an overview of the theory of electrical conductivity and elementary experimental considerations, along with some of the interesting research on nonaqueous solvents. It then turns to a discussion on hydrogen bonding phenomena in nonaqueous systems as probed

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

    Science.gov (United States)

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

  5. Effect of pH on desorption of CO2 from alkanolamine - rich solvents

    Science.gov (United States)

    Du, Min

    2017-08-01

    Adipic acid was used as a pH regulator, which was added to 0.4 mol/L MEA, DEA and MDEA solvents during CO2 desorption process. It is found that when pH value of the solvents swing between 8-10, CO2 desorption rate enhanced, and energy consumption has declined obviously. This research may have reference significance on optimization of alkanolamine CO2 capture process.

  6. Comparative exergy analyses of Jatropha curcas oil extraction methods: Solvent and mechanical extraction processes

    International Nuclear Information System (INIS)

    Ofori-Boateng, Cynthia; Keat Teong, Lee; JitKang, Lim

    2012-01-01

    Highlights: ► Exergy analysis detects locations of resource degradation within a process. ► Solvent extraction is six times exergetically destructive than mechanical extraction. ► Mechanical extraction of jatropha oil is 95.93% exergetically efficient. ► Solvent extraction of jatropha oil is 79.35% exergetically efficient. ► Exergy analysis of oil extraction processes allow room for improvements. - Abstract: Vegetable oil extraction processes are found to be energy intensive. Thermodynamically, any energy intensive process is considered to degrade the most useful part of energy that is available to produce work. This study uses literature values to compare the efficiencies and degradation of the useful energy within Jatropha curcas oil during oil extraction taking into account solvent and mechanical extraction methods. According to this study, J. curcas seeds on processing into J. curcas oil is upgraded with mechanical extraction but degraded with solvent extraction processes. For mechanical extraction, the total internal exergy destroyed is 3006 MJ which is about six times less than that for solvent extraction (18,072 MJ) for 1 ton J. curcas oil produced. The pretreatment processes of the J. curcas seeds recorded a total internal exergy destructions of 5768 MJ accounting for 24% of the total internal exergy destroyed for solvent extraction processes and 66% for mechanical extraction. The exergetic efficiencies recorded are 79.35% and 95.93% for solvent and mechanical extraction processes of J. curcas oil respectively. Hence, mechanical oil extraction processes are exergetically efficient than solvent extraction processes. Possible improvement methods are also elaborated in this study.

  7. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?

    Science.gov (United States)

    Nemykin, Victor N; Hadt, Ryan G; Belosludov, Rodion V; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

    2007-12-20

    A time-dependent density functional theory (TDDFT) approach coupled with 14 different exchange-correlation functionals was used for the prediction of vertical excitation energies in zinc phthalocyanine (PcZn). In general, the TDDFT approach provides a more accurate description of both visible and ultraviolet regions of the UV-vis and magnetic circular dichroism (MCD) spectra of PcZn in comparison to the more popular semiempirical ZINDO/S and PM3 methods. It was found that the calculated vertical excitation energies of PcZn correlate with the amount of Hartree-Fock exchange involved in the exchange-correlation functional. The correlation was explained on the basis of the calculated difference in energy between occupied and unoccupied molecular orbitals. The influence of PcZn geometry, optimized using different exchange-correlation functionals, on the calculated vertical excitation energies in PcZn was found to be relatively small. The influence of solvents on the calculated vertical excitation energies in PcZn was considered for the first time using a polarized continuum model TDDFT (PCM-TDDFT) method and was found to be relatively small in excellent agreement with the experimental data. For all tested TDDFT and PCM-TDDFT cases, an assignment of the Q-band as an almost pure a1u (HOMO)-->eg (LUMO) transition, initially suggested by Gouterman, was confirmed. Pure exchange-correlation functionals indicate the presence of six 1Eu states in the B-band region of the UV-vis spectrum of PcZn, while hybrid exchange-correlation functionals predict only five 1Eu states for the same energy envelope. The first two symmetry-forbidden n-->pi* transitions were predicted in the Q0-2 region and in the low-energy tail of the B-band, while the first two symmetry-allowed n-->pi* transitions were found within the B-band energy envelope when pure exchange-correlation functionals were used for TDDFT calculations. The presence of a symmetry-forbidden but vibronically allowed n

  8. Highly efficient secondary dewatering of dewatered sewage sludge using low boiling point solvents.

    Science.gov (United States)

    He, Chao; Chena, Chia-Lung; Xu, Zhirong; Wang, Jing-Yuan

    2014-01-01

    Secondary dewatering of dewatered sludge is imperative to make conventional drying and incineration of sludge more economically feasible. In this study, a secondary dewatering of dewatered sludge with selected solvents (i.e. acetone and ethanol) followed by vacuum filtration and nature drying was investigated to achieve in-depth dewatering. After the entire secondary dewatering process, the sludge was shown to be odourless and the organic matter content was greatly retained. Increased mean particle size of sludge after solvent contact improved solid-liquid separation. With an acetone/sludge ratio of 3:1 (mL:g) in solvent contact and subsequent nature drying at ambient temperature after 24 h, the moisture content of sludge can be reduced to a level less than 20%. It is found that the polysaccharides were mainly precipitated by acetone, whereas the release ratios of protein and DNA were increased significantly as the added acetone volumes were elevated. During nature drying, accumulated evaporation rates of the sludge after solvent contact were 5-6 times higher than original dewatered sludge. Furthermore, sludge after acetone contact had better nature drying performance than ethanol. The two-stage dewatering involves solvent contact dewatering and solvent enhanced evaporation dewatering. Through selecting an appropriate solvent/sludge ratio as well as economical solvents and minimizing the solvent loss in a closed-pilot system, this dewatering process can be competitive in industrial applications. Therefore, this solvent-aided secondary dewatering is an energy-saving technology for effective in-depth dewatering of dewatered sludge and subsequent sludge utilization.

  9. Distribution of multi-component solvents in solvent vapor extraction chamber

    Energy Technology Data Exchange (ETDEWEB)

    Das, S. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Marathon Oil Corp., Houston, TX (United States)

    2008-10-15

    Vapex process performance is sensitive to operating pressures, temperatures and the types of solvent used. The hydrocarbon solvents used in Vapex processes typically have between 5 and 10 per cent hydrocarbon impurities, and the accumulation of dense phases inside the vapor chamber reduces gravity drainage potential. This study investigated the partitioning of solvent compounds inside the vapor chamber during in situ Vapex processes.The aim of the study was to examine how the different components of the mixed solvent partitioned inside the extracted chamber during the oil and vapor phase. A 2-D homogenous reservoir model was used to simulate the Vapex process with a solvent mixture comprised of propane and methane at various percentages. The effect of injecting a hot solvent vapor was also investigated. The study showed that injected methane accumulated at both the top and the extraction interface. Accumulations near the top had a positive impact on solvent confinement in thin reservoirs. Diffusion of the solvent component was controlled by gas phase molecular diffusion, and was much faster than the diffusion of solvent molecules in the liquid phase. The use of hot solvent mixtures slowed the extraction process due to lower solvent solubility in the oil phase. It was concluded that the negative impact on viscosity reduction by dilution was not compensated by rises in temperature. 6 refs., 11 figs.

  10. Reorganization of the nuclear energy industry from the point of view of supply companies

    International Nuclear Information System (INIS)

    Holzer, J.

    1990-01-01

    The actual state of the waste management concept for low and medium level radioactive wastes from nuclear power plants, and the most important social components involved, are outlined and evaluated, the starting point of the developments being the occurrences related to the Transnuklear company, which escalated into a public scandal. A new waste management concept is presented which is marked above all by a clear separation of entrepreneurial responsibility, and by a strict application of clear guidelines. It is imperative to regain confidence in the branch in a joint effort. (UA) [de

  11. A year of nuclear regulation under the U.S. energy reorganization act

    International Nuclear Information System (INIS)

    Mason, E.

    1976-01-01

    A year's experience of the US NRC activities is presented. As the introduction, the birth of NRC and ERDA is historically reviewed and their basic functions are elucidated. The organizational structure of the NRC is also described. The relations between NRC and ERDA and other federal or state authorities are explained for various areas such as environmental protection and research and development program. Relations with other countries or organizations, including IAEA, are also shortly described. The problems about the NRC staffs are presented in relation with the recently resigned staff. To improve the public understanding, the NRC is making efforts through various investigations, educational activities, and public hearings. Three major reports were published from NRC in 1975, one of which was the Rusmussen report. Technological problems that the NRC has treated recently are explained. These include; the cracking of stainless steel pipes, the fine at Browns Ferry Stations, channel box wear, and the structural problem of the suppression chamber-type BWR containment. Finally, the future tacks of NRC are shortly viewed. (Aoki, K.)

  12. 76 FR 64431 - Reorganization of Title 30: Bureaus of Safety and Environmental Enforcement and Ocean Energy...

    Science.gov (United States)

    2011-10-18

    ..., This section activities in the Alaska OCS Sec. 550.220. addresses plans that Region, what planning are.... addresses plans that Region, what planning are the information must accompany responsibility of the DPP... functions including, but not limited to, activities involving resource evaluation, planning, and leasing...

  13. Halide Binding and Inhibition of Laccase Copper Clusters: The Role of Reorganization Energy

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2015-01-01

    Laccase-like proteins are multicopper oxidases involved in several biological and industrial processes. Their application is commonly limited due to inhibition by fluoride and chloride, and as-isolated proteins are often substantially activated by heat, suggesting that multiple redox states can c...

  14. Ion solvation in polymer blends and block copolymer melts: effects of chain length and connectivity on the reorganization of dipoles.

    Science.gov (United States)

    Nakamura, Issei

    2014-05-29

    We studied the thermodynamic properties of ion solvation in polymer blends and block copolymer melts and developed a dipolar self-consistent field theory for polymer mixtures. Our theory accounts for the chain connectivity of polymerized monomers, the compressibility of the liquid mixtures under electrostriction, the permanent and induced dipole moments of monomers, and the resultant dielectric contrast among species. In our coarse-grained model, dipoles are attached to the monomers and allowed to rotate freely in response to electrostatic fields. We demonstrate that a strong electrostatic field near an ion reorganizes dipolar monomers, resulting in nonmonotonic changes in the volume fraction profile and the dielectric function of the polymers with respect to those of simple liquid mixtures. For the parameter sets used, the spatial variations near an ion can be in the range of 1 nm or larger, producing significant differences in the solvation energy among simple liquid mixtures, polymer blends, and block copolymers. The solvation energy of an ion depends substantially on the chain length in block copolymers; thus, our theory predicts the preferential solvation of ions arising from differences in chain length.

  15. Reactivity of solvent alcohol on degradation of CFC113

    International Nuclear Information System (INIS)

    Nakagawa, Seiko

    2003-01-01

    1,1,2-Trichloro-trifluoroethane (CFC113) was dissolved in alkaline 1-butanol, 2-butanol, iso-butyl alcohol, and phenyl ethyl alcohol and irradiated with 60 Co gamma rays after purged with pure nitrogen gas. In all these solvents, the concentration of CFC113 and hydroxide ion decreased and that of chloride ion increased with a dose observed in 2-propanol solution. The reaction efficiency increases in order of 1-butanol< iso-butyl alcohol< phenyl ethyl alcohol<2-butanol<2-propanol. The solvent effect will depend on the binding energy of the αC-H of the alcohol molecule and electron affinity and dipole moment of the ketones or aldehydes produced from the alcohols

  16. Energy

    CERN Document Server

    Robertson, William C

    2002-01-01

    Confounded by kinetic energy? Suspect that teaching about simple machines isn t really so simple? Exasperated by electricity? If you fear the study of energy is beyond you, this entertaining book will do more than introduce you to the topic. It will help you actually understand it. At the book s heart are easy-to-grasp explanations of energy basics work, kinetic energy, potential energy, and the transformation of energy and energy as it relates to simple machines, heat energy, temperature, and heat transfer. Irreverent author Bill Robertson suggests activities that bring the basic concepts of energy to life with common household objects. Each chapter ends with a summary and an applications section that uses practical examples such as roller coasters and home heating systems to explain energy transformations and convection cells. The final chapter brings together key concepts in an easy-to-grasp explanation of how electricity is generated. Energy is the second book in the Stop Faking It! series published by NS...

  17. Prediction of the solubility in lipidic solvent mixture: Investigation of the modeling approach and thermodynamic analysis of solubility.

    Science.gov (United States)

    Patel, Shruti V; Patel, Sarsvatkumar

    2015-09-18

    Self-micro emulsifying drug delivery system (SMEDDS) is one of the methods to improve solubility and bioavailability of poorly soluble drug(s). The knowledge of the solubility of pharmaceuticals in pure lipidic solvents and solvent mixtures is crucial for designing the SMEDDS of poorly soluble drug substances. Since, experiments are very time consuming, a model, which allows for solubility predictions in solvent mixtures based on less experimental data is desirable for efficiency. Solvents employed were Labrafil® M1944CS and Labrasol® as lipidic solvents; Capryol-90®, Capryol-PGMC® and Tween®-80 as surfactants; Transcutol® and PEG-400 as co-solvents. Solubilities of both drugs were determined in single solvent systems at temperature (T) range of 283-333K. In present study, we investigated the applicability of the thermodynamic model to understand the solubility behavior of drugs in the lipiodic solvents. By using the Van't Hoff and general solubility theory, the thermodynamic functions like Gibbs free energy, enthalpy and entropy of solution, mixing and solvation for drug in single and mixed solvents were understood. The thermodynamic parameters were understood in the framework of drug-solvent interaction based on their chemical similarity and dissimilarity. Clotrimazole and Fluconazole were used as active ingredients whose solubility was measured in single solvent as a function of temperature and the data obtained were used to derive mathematical models which can predict solubility in multi-component solvent mixtures. Model dependent parameters for each drug were calculated at each temperature. The experimental solubility data of solute in mixed solvent system were measured experimentally and further correlated with the calculates values obtained from exponent model and log-linear model of Yalkowsky. The good correlation was observed between experimental solubility and predicted solubility. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Theoretical Study on the Extraction of Alkaline Earth Salts by 18-Crown-6: Roles of Counterions, Solvent Types and Extraction Temperatures

    Directory of Open Access Journals (Sweden)

    Saprizal Hadisaputra

    2014-07-01

    Full Text Available The roles of counterions, solvent types and extraction temperatures on the selectivity of 18-crown-6 (L toward alkaline earth salts MX2 (M = Ca, Sr, Ba; X = Cl-, NO3- have been studied by density functional method at B3LYP level of theory in gas and solvent phase. In gas phase, the chloride anion Cl- is the preference counterion than nitrate anion NO3-. This result is confirmed by the interaction energies, the second order interaction energies, charge transfers, energy difference between HOMO-LUMO and electrostatic potential maps. The presence of solvent reversed the gas phase trend. It is found that NO3- is the preference counterion in solvent phase. The calculated free energies demonstrate that the solvent types strongly change the strength of the complex formation. The free energies are exothermic in polar solvent while for the non polar solvent the free energies are endothermic. As the temperature changes the free energies also vary where the higher the temperatures the lower the free energy values. The calculated free energies are correlated well with the experimental stability constants. This theoretical study would have a strong contribution in planning the experimental conditions in terms of the preference counterions, solvent types and optimum extraction temperatures.

  19. Organic Solvent Tolerant Lipases and Applications

    Directory of Open Access Journals (Sweden)

    Shivika Sharma

    2014-01-01

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

  20. Nuclear energy center site survey reactor plant considerations

    International Nuclear Information System (INIS)

    1976-05-01

    The Energy Reorganization Act of 1974 required the Nuclear Regulatory Commission (NRC) to make a nuclear energy center site survey (NECSS). Background information for the NECSS report was developed in a series of tasks which include: socioeconomic inpacts; environmental impact (reactor facilities); emergency response capability (reactor facilities); aging of nuclear energy centers; and dry cooled nuclear energy centers

  1. Clinical neurorehabilitation - implications of the Reorganization of Elementary Functions (REF) model

    DEFF Research Database (Denmark)

    Rytter, Hana Malá; Mogensen, Jesper

    The REF (Reorganization of Elementary Functions) model suggests mechanisms of posttraumatic reorganization, and resolves the contradiction between localization and functional recovery. In the process of developing this model, we have reconceptualised the term ‘function’ and introduced a concept...... across situations and cognitive domains. Since novel ASs are created and selected according to situation dependent feedback mechanisms, dissimilar external conditions may call for different ASs. Consequently, therapeutically established ASs may not be adequate in the settings of daily life. Additionally......, upon the loss of a particular brain structure, the structure and networks mediating recovery will not be identical in case of different cognitive and situational demands. Therapeutically, an important implication is that rehabilitative training should include as naturalistic settings as possible....

  2. Structural Reorganization of CNC in Injection-Molded CNC/PBAT Materials under Thermal Annealing.

    Science.gov (United States)

    Mariano, Marcos; El Kissi, Nadia; Dufresne, Alain

    2016-10-04

    Composite materials were prepared by extrusion and injection molding from polybutyrate adipate terephthalate (PBAT) and high aspect ratio cellulose nanocrystals (CNCs) extracted from capim dourado fibers. Three CNC contents were used, corresponding to 0.5, 1, and 2 times the theoretical percolation threshold. Small-amplitude oscillary shear (SAOS) experiments show that as the CNC content increases, a more elastic behavior is observed but no percolating network can form within the polymeric matrix as a result of the high shear rates involved during the injection-molding process. Annealing of the samples at 170 °C was performed, and the possible reorganization of the nanofiller was investigated. This reorganization was further elucidated using 2D-SAOS and creep experiments.

  3. Atomic force microscopy observation of lipopolysaccharide-induced cardiomyocyte cytoskeleton reorganization.

    Science.gov (United States)

    Wang, Liqun; Chen, Tangting; Zhou, Xiang; Huang, Qiaobing; Jin, Chunhua

    2013-08-01

    We applied atomic force microscopy (AFM) to observe lipopolysaccharide (LPS)-induced intracellular cytoskeleton reorganization in primary cardiomyocytes from neonatal mouse. The nonionic detergent Triton X-100 was used to remove the membrane, soluble proteins, and organelles from the cell. The remaining cytoskeleton can then be directly visualized by AFM. Using three-dimensional technique of AFM, we were able to quantify the changes of cytoskeleton by the "density" and total "volume" of the cytoskeleton fibers. Compared to the control group, the density of cytoskeleton was remarkably decreased and the volume of cytoskeleton was significantly increased after LPS treatment, which suggests that LPS may induce the cytoskeleton reorganization and change the cardiomyocyte morphology. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. SCENARIOS EVALUATION TOOL FOR CHLORINATED SOLVENT MNA

    Energy Technology Data Exchange (ETDEWEB)

    Vangelas, K; Brian02 Looney, B; Michael J. Truex; Charles J. Newell

    2006-08-16

    Over the past three decades, much progress has been made in the remediation of chlorinated solvents from the subsurface. Yet these pervasive contaminants continue to present a significant challenge to the U.S. Department of Energy (DOE), other federal agencies, and other public and private organizations. The physical and chemical properties of chlorinated solvents make it difficult to rapidly reach the low concentrations typically set as regulatory limits. These technical challenges often result in high costs and long remediation time frames. In 2003, the DOE through the Office of Environmental Management funded a science-based technical project that uses the U.S. Environmental Protection Agency's technical protocol (EPA, 1998) and directives (EPA, 1999) on Monitored Natural Attenuation (MNA) as the foundation on which to introduce supporting concepts and new scientific developments that will support remediation of chlorinated solvents based on natural attenuation processes. This project supports the direction in which many site owners want to move to complete the remediation of their site(s), that being to complete the active treatment portion of the remedial effort and transition into MNA. The overarching objective of the effort was to examine environmental remedies that are based on natural processes--remedies such as Monitored Natural Attenuation (MNA) or Enhanced Attenuation (EA). The research program did identify several specific opportunities for advances based on: (1) mass balance as the central framework for attenuation based remedies, (2) scientific advancements and achievements during the past ten years, (3) regulatory and policy development and real-world experience using MNA, and (4) exploration of various ideas for integrating attenuation remedies into a systematic set of ''combined remedies'' for contaminated sites. These opportunities are summarized herein and are addressed in more detail in referenced project documents and

  5. Solvent Handbook Database System user's manual

    International Nuclear Information System (INIS)

    1993-03-01

    Industrial solvents and cleaners are used in maintenance facilities to remove wax, grease, oil, carbon, machining fluids, solder fluxes, mold release, and various other contaminants from parts, and to prepare the surface of various metals. However, because of growing environmental and worker-safety concerns, government regulations have already excluded the use of some chemicals and have restricted the use of halogenated hydrocarbons because they affect the ozone layer and may cause cancer. The Solvent Handbook Database System lets you view information on solvents and cleaners, including test results on cleaning performance, air emissions, recycling and recovery, corrosion, and non-metals compatibility. Company and product safety information is also available

  6. Modeling of Salt Solubilities in Mixed Solvents

    DEFF Research Database (Denmark)

    Chiavone-Filho, O.; Rasmussen, Peter

    2000-01-01

    A method to correlate and predict salt solubilities in mixed solvents using a UNIQUAC+Debye-Huckel model is developed. The UNIQUAC equation is applied in a form with temperature-dependent parameters. The Debye-Huckel model is extended to mixed solvents by properly evaluating the dielectric...... constants and the liquid densities of the solvent media. To normalize the activity coefficients, the symmetric convention is adopted. Thermochemical properties of the salt are used to estimate the solubility product. It is shown that the proposed procedure can describe with good accuracy a series of salt...

  7. Solvent extraction in the nuclear fuel cycle

    International Nuclear Information System (INIS)

    Eccles, H.; Naylor, A.

    1987-01-01

    Solvent extraction techniques have been used in the uranium nuclear fuel cycle in three main areas; concentration of uranium from ore leach liquor, purification of ore concentrates and fuel reprocessing. Solvent extraction has been extended to the removal of transuranic elements from active waste liquor, the recovery of uranium from natural sources and the recovery of noble metals from active waste liquor. Schemes are presented for solvent extraction of uranium using the Amex or Dapex process; spent fuel reprocessing and the Purex process. Recent and future developments of the techniques are outlined. (UK)

  8. Chemical reactions in solvents and melts

    CERN Document Server

    Charlot, G

    1969-01-01

    Chemical Reactions in Solvents and Melts discusses the use of organic and inorganic compounds as well as of melts as solvents. This book examines the applications in organic and inorganic chemistry as well as in electrochemistry. Organized into two parts encompassing 15 chapters, this book begins with an overview of the general properties and the different types of reactions, including acid-base reactions, complex formation reactions, and oxidation-reduction reactions. This text then describes the properties of inert and active solvents. Other chapters consider the proton transfer reactions in

  9. Spreadsheet algorithm for stagewise solvent extraction

    International Nuclear Information System (INIS)

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

    1994-01-01

    The material balance and equilibrium equations for solvent extraction processes have been combined with computer spreadsheets in a new way so that models for very complex multicomponent multistage operations can be setup and used easily. A part of the novelty is the way in which the problem is organized in the spreadsheet. In addition, to facilitate spreadsheet setup, a new calculational procedure has been developed. The resulting Spreadsheet Algorithm for Stagewise Solvent Extraction (SASSE) can be used with either IBM or Macintosh personal computers as a simple yet powerful tool for analyzing solvent extraction flowsheets. 22 refs., 4 figs., 2 tabs

  10. TRUEX process solvent cleanup with solid sorbents

    International Nuclear Information System (INIS)

    Tse, Pui-Kwan; Reichley-Yinger, L.; Vandegrift, G.F.

    1989-01-01

    Solid sorbents, alumina, silica gel, and Amberlyst A-26 have been tested for the cleanup of degraded TRUEX-NPH solvent. A sodium carbonate scrub alone does not completely remove acidic degradation products from highly degraded solvent and cannot restore the stripping performance of the solvent. By following the carbonate scrub with either neutral alumina or Amberlyst A-26 anion exchange resin, the performance of the TRUEX-NPH is substantially restored. The degraded TRUEX-NPH was characterized before and after treatment by supercritical fluid chromatography. Its performance was evaluated by americium distribution ratios, phase-separation times, and lauric acid distribution coefficients. 17 refs., 2 figs., 5 tabs

  11. Microstructure of transcallosal motor fibers reflects type of cortical (re-)organization in congenital hemiparesis.

    Science.gov (United States)

    Juenger, Hendrik; Koerte, Inga K; Muehlmann, Marc; Mayinger, Michael; Mall, Volker; Krägeloh-Mann, Ingeborg; Shenton, Martha E; Berweck, Steffen; Staudt, Martin; Heinen, Florian

    2014-11-01

    Early unilateral brain lesions can lead to different types of corticospinal (re-)organization of motor networks. In one group of patients, the contralesional hemisphere exerts motor control not only over the contralateral non-paretic hand but also over the (ipsilateral) paretic hand, as the primary motor cortex is (re-)organized in the contralesional hemisphere. Another group of patients with early unilateral lesions shows "normal" contralateral motor projections starting in the lesioned hemisphere. We investigated how these different patterns of cortical (re-)organization affect interhemispheric transcallosal connectivity in patients with congenital hemiparesis. Eight patients with ipsilateral motor projections (group IPSI) versus 7 patients with contralateral motor projections (group CONTRA) underwent magnetic resonance diffusion tensor imaging (DTI). The corpus callosum (CC) was subdivided in 5 areas (I-V) in the mid-sagittal slice and volumetric information. The following diffusion parameters were calculated: fractional anisotropy (FA), trace, radial diffusivity (RD), and axial diffusivity (AD). DTI revealed significantly lower FA, increased trace and RD for group IPSI compared to group CONTRA in area III of the corpus callosum, where transcallosal motor fibers cross the CC. In the directly neighboring area IV, where transcallosal somatosensory fibers cross the CC, no differences were found for these DTI parameters between IPSI and CONTRA. Volume of callosal subsections showed significant differences for area II (connecting premotor cortices) and III, where group IPSI had lower volume. The results of this study demonstrate that the callosal microstructure in patients with congenital hemiparesis reflects the type of cortical (re-)organization. Early lesions disrupting corticospinal motor projections to the paretic hand consecutively affect the development or maintenance of transcallosal motor fibers. Copyright © 2014 European Paediatric Neurology Society

  12. Spatial language processing in the blind: evidence for a supramodal representation and cortical reorganization.

    Directory of Open Access Journals (Sweden)

    Marijn E Struiksma

    Full Text Available Neuropsychological and imaging studies have shown that the left supramarginal gyrus (SMG is specifically involved in processing spatial terms (e.g. above, left of, which locate places and objects in the world. The current fMRI study focused on the nature and specificity of representing spatial language in the left SMG by combining behavioral and neuronal activation data in blind and sighted individuals. Data from the blind provide an elegant way to test the supramodal representation hypothesis, i.e. abstract codes representing spatial relations yielding no activation differences between blind and sighted. Indeed, the left SMG was activated during spatial language processing in both blind and sighted individuals implying a supramodal representation of spatial and other dimensional relations which does not require visual experience to develop. However, in the absence of vision functional reorganization of the visual cortex is known to take place. An important consideration with respect to our finding is the amount of functional reorganization during language processing in our blind participants. Therefore, the participants also performed a verb generation task. We observed that only in the blind occipital areas were activated during covert language generation. Additionally, in the first task there was functional reorganization observed for processing language with a high linguistic load. As the visual cortex was not specifically active for spatial contents in the first task, and no reorganization was observed in the SMG, the latter finding further supports the notion that the left SMG is the main node for a supramodal representation of verbal spatial relations.

  13. Detection of Brain Reorganization in Pediatric Multiple Sclerosis Using Functional MRI

    Science.gov (United States)

    2015-10-01

    including the Wechsler Intelligence Scale for Children (WISC-IV) for verbal and non-verbal intelligence; the Boston Naming Test , which evaluates a...demonstrated congruency between fMRI mappings and patient performance; 2) testing of the fMRI methods we developed for use in POMS patients was carried out...adaptive functional reorganization as a way to explain how some early-stage MS patients are able to perform well in clinical cognitive testing

  14. Task-specific reorganization of the auditory cortex in deaf humans.

    Science.gov (United States)

    Bola, Łukasz; Zimmermann, Maria; Mostowski, Piotr; Jednoróg, Katarzyna; Marchewka, Artur; Rutkowski, Paweł; Szwed, Marcin

    2017-01-24

    The principles that guide large-scale cortical reorganization remain unclear. In the blind, several visual regions preserve their task specificity; ventral visual areas, for example, become engaged in auditory and tactile object-recognition tasks. It remains open whether task-specific reorganization is unique to the visual cortex or, alternatively, whether this kind of plasticity is a general principle applying to other cortical areas. Auditory areas can become recruited for visual and tactile input in the deaf. Although nonhuman data suggest that this reorganization might be task specific, human evidence has been lacking. Here we enrolled 15 deaf and 15 hearing adults into an functional MRI experiment during which they discriminated between temporally complex sequences of stimuli (rhythms). Both deaf and hearing subjects performed the task visually, in the central visual field. In addition, hearing subjects performed the same task in the auditory modality. We found that the visual task robustly activated the auditory cortex in deaf subjects, peaking in the posterior-lateral part of high-level auditory areas. This activation pattern was strikingly similar to the pattern found in hearing subjects performing the auditory version of the task. Although performing the visual task in deaf subjects induced an increase in functional connectivity between the auditory cortex and the dorsal visual cortex, no such effect was found in hearing subjects. We conclude that in deaf humans the high-level auditory cortex switches its input modality from sound to vision but preserves its task-specific activation pattern independent of input modality. Task-specific reorganization thus might be a general principle that guides cortical plasticity in the brain.

  15. Reorganization of Functional Brain Maps After Exercise Training: Importance of Cerebellar-Thalamic-Cortical Pathway

    OpenAIRE

    Holschneider, DP; Yang, J; Guo, Y; Maarek, J-M I

    2007-01-01

    Exercise training (ET) causes functional and morphologic changes in normal and injured brain. While studies have examined effects of short-term (same day) training on functional brain activation, less work has evaluated effects of long-term training, in particular treadmill running. An improved understanding is relevant as changes in neural reorganization typically require days to weeks, and treadmill training is a component of many neurorehabilitation programs.

  16. Estimating the effect of the reorganization of interactions on the adaptability of species to changing environments.

    Science.gov (United States)

    Cenci, Simone; Montero-Castaño, Ana; Saavedra, Serguei

    2018-01-21

    A major challenge in community ecology is to understand how species respond to environmental changes. Previous studies have shown that the reorganization of interactions among co-occurring species can modulate their chances to adapt to novel environmental conditions. Moreover, empirical evidence has shown that these ecological dynamics typically facilitate the persistence of groups of species rather than entire communities. However, so far, we have no systematic methodology to identify those groups of species with the highest or lowest chances to adapt to new environments through a reorganization of their interactions. Yet, this could prove extremely valuable for developing new conservation strategies. Here, we introduce a theoretical framework to estimate the effect of the reorganization of interactions on the adaptability of a group of species, within a community, to novel environmental conditions. We introduce the concept of the adaptation space of a group of species based on a feasibility analysis of a population dynamics model. We define the adaptation space of a group as the set of environmental conditions that can be made compatible with its persistence thorough the reorganization of interactions among species within the group. The larger the adaptation space of a group, the larger its likelihood to adapt to a novel environment. We show that the interactions in the community outside a group can act as structural constraints and be used to quantitatively compare the size of the adaptation space among different groups of species within a community. To test our theoretical framework, we perform a data analysis on several pairs of natural and artificially perturbed ecological communities. Overall, we find that the groups of species present in both control and perturbed communities are among the ones with the largest adaptation space. We believe that the results derived from our framework point out towards new directions to understand and estimate the

  17. Therapy induces widespread reorganization of motor cortex after complete spinal transection that supports motor recovery.

    Science.gov (United States)

    Ganzer, Patrick D; Manohar, Anitha; Shumsky, Jed S; Moxon, Karen A

    2016-05-01

    Reorganization of the somatosensory system and its relationship to functional recovery after spinal cord injury (SCI) has been well studied. However, little is known about the impact of SCI on organization of the motor system. Recent studies suggest that step-training paradigms in combination with spinal stimulation, either electrically or through pharmacology, are more effective than step training alone at inducing recovery and that reorganization of descending corticospinal circuits is necessary. However, simpler, passive exercise combined with pharmacotherapy has also shown functional improvement after SCI and reorganization of, at least, the sensory cortex. In this study we assessed the effect of passive exercise and serotonergic (5-HT) pharmacological therapies on behavioral recovery and organization of the motor cortex. We compared the effects of passive hindlimb bike exercise to bike exercise combined with daily injections of 5-HT agonists in a rat model of complete mid-thoracic transection. 5-HT pharmacotherapy combined with bike exercise allowed the animals to achieve unassisted weight support in the open field. This combination of therapies also produced extensive expansion of the axial trunk motor cortex into the deafferented hindlimb motor cortex and, surprisingly, reorganization within the caudal and even the rostral forelimb motor cortex areas. The extent of the axial trunk expansion was correlated to improvement in behavioral recovery of hindlimbs during open field locomotion, including weight support. From a translational perspective, these data suggest a rationale for developing and optimizing cost-effective, non-invasive, pharmacological and passive exercise regimes to promote plasticity that supports restoration of movement after spinal cord injury. Copyright © 2016. Published by Elsevier Inc.

  18. Rapid reorganization of adult rat motor cortex somatic representation patterns after motor nerve injury.

    OpenAIRE

    Sanes, J N; Suner, S; Lando, J F; Donoghue, J P

    1988-01-01

    The potential for peripheral nerve injury to reorganize motor cortical representations was investigated in adult rats. Maps reflecting functional connections between the motor cortex and somatic musculature were generated with intracortical electrical stimulation techniques. Comparison of cortical somatotopic maps obtained in normal rats with maps generated from rats with a facial nerve lesion indicated that the forelimb and eye/eyelid representations expanded into the normal vibrissa area. R...

  19. Uranium refining by solvent extraction

    International Nuclear Information System (INIS)

    Kraikaew, J.; Srinuttrakul, W.

    2014-01-01

    The solvent extraction process to produce higher purity uranium from yellowcake was studied in laboratory scale. Yellowcake, which the uranium purity is around 70% and the main impurity is thorium, was obtained from monazite processing pilot plant of Rare Earth Research and Development Center in Thailand. For uranium re-extraction process, the extractant chosen was Tributylphosphate (TBP) in kerosene. It was found that the optimum concentration of TBP was 10% in kerosene and the optimum nitric acid concentration in uranyl nitrate feed solution was 4 N. An increase in concentrations of uranium and thorium in feed solution resulted in a decrease in the distribution of both components in the extractant. However, the distribution of uranium into the extractant was found to be more than that of thorium. The equilibration study of the extraction system, UO_2(NO_3)/4N HNO_3 – 10%TBP/Kerosene, was also investigated. Two extraction stages were calculated graphically from 100,000 ppm uranium concentration in feed solution input with 90% extraction efficiency and the flow ratio of aqueous phase to organic phase was adjusted to 1.0. For thorium impurity scrubbing process, 10% TBP in kerosene was loaded with uranium and minor thorium from uranyl nitrate solution prepared from yellowcake and was scrubbed with different low concentration nitric acid. The results showed that at nitric acid normality was lower than 1 N, uranium distributed well to aqueous phase. As conclusion, optimum nitric acid concentration for scrubbing process should not less than 1 N and diluted nitric acid or de-ionized water should be applied to strip uranium from organic phase in the final refining process. (author)

  20. Energy

    International Nuclear Information System (INIS)

    1975-10-01

    On the occasion of the World Environment Day the Norwegian Ministry for the Environment held a conference on growth problems in energy consumption. The themes which were treated were energy conservation, hydroelectric power, the role of nuclear power, radioactive waste disposal, fossil fuel resources, ecological limits, pollution and international aspects. Nuclear energy forms the main theme of one lecture and an aspect of several others. (JIW)

  1. Energy

    OpenAIRE

    Torriti, Jacopo

    2016-01-01

    The impact of energy policy measures has been assessed with various appraisal and evaluation tools since the 1960s. Decision analysis, environmental impact assessment and strategic environmental assessment are all notable examples of progenitors of Regulatory Impact Assessment (RIA) in the assessment of energy policies, programmes and projects. This chapter provides overview of policy tools which have been historically applied to assess the impacts of energy policies, programmes and projects....

  2. Fuel characteristics and pyrolysis studies of solvent extractables and residues from the evergreen shrub Calotropis procera

    Energy Technology Data Exchange (ETDEWEB)

    Erdman, M.D.; Gregorski, K.S.; Pavlath, A.E.

    1984-01-01

    Solvent extractables and residues from milkweed were evaluated as sources of liquid and solid fuels. Selected chemical, physical and pyrolytic determinations of the extractables and residues indicated that hexane extract is a potentially valuable, high density fuel resource. Methanol extract was shown to be a lower energy, highly toxic extract. Extracted residues were demonstrated to be valuable as solid fuel energy resources. 31 references.

  3. Energies

    International Nuclear Information System (INIS)

    2003-01-01

    In the framework of the National Debate on the energies in a context of a sustainable development some associations for the environment organized a debate on the nuclear interest facing the renewable energies. The first part presents the nuclear energy as a possible solution to fight against the greenhouse effect and the associated problem of the wastes management. The second part gives information on the solar energy and the possibilities of heat and electric power production. A presentation of the FEE (French wind power association) on the situation and the development of the wind power in France, is also provided. (A.L.B.)

  4. Reorganization of Kepco and lifetime management status in Korea

    International Nuclear Information System (INIS)

    Chung, K.N.

    2000-01-01

    extension of Kori 1 beyond its licensed life was technically and economically feasible. Now the second phase is under progress. Also, a periodic safety review (PSR) programme is adopted per recommendation of the International Atomic Energy Agency, which will be very useful to assess and ensure the plant safety of operating units thus contributing to plant life management. (author)

  5. Mirror therapy in lower limb amputees. A look beyond primary motor cortex reorganization

    Energy Technology Data Exchange (ETDEWEB)

    Seidel, S.; Essmeister, M.; Sycha, T.; Auff, E. [Vienna Medical Univ. (Austria). Dept. of Neurology; Kasprian, G.; Furtner, J.; Schoepf, V.; Prayer, D. [Vienna Medical Univ. (Austria). Dept. of Neuroradiology

    2011-11-15

    Phantom pain in upper limb amputees is associated with the extent of reorganization in the primary sensorimotor cortex. Mirror visual feedback therapy has been shown to improve phantom pain. We investigated the extent of cortical reorganization in lower limb amputees and changes in neural activity induced by mirror therapy. Eight lower limb amputees underwent 12 sessions of MVFT and functional magnetic resonance imaging (fMRI) of the brain before the first and after the last MVFT session. FMRI sessions consisted of two runs in which subjects were instructed to perform repetitive movement of the healthy and phantom ankle. Before MVFT, the mean phantom pain intensity was 4.6 {+-} 3.1 on a visual analog scale and decreased to 1.8 {+-} 1.7 (p = 0.04). We did not observe a consistent pattern of cortical activation in primary sensorimotor areas during phantom limb movements. Following MVFT, increased activity was obtained in the right orbitofrontal cortex during phantom ankle movements. Comparison of cortical activity during movements of the phantom ankle and the intact ankle showed significantly higher activity in the left inferior frontal cortex (pars triangularis). These results question the known association between phantom pain and primary sensorimotor reorganization and propose reorganizational changes involving multiple cortical areas in lower limb amputees. Finally, reduction of phantom pain after mirror visual feedback therapy was associated with increased prefrontal cortical activity during phantom ankle movements. (orig.)

  6. Bilateral experimental neck pain reorganize axioscapular muscle coordination and pain sensitivity.

    Science.gov (United States)

    Christensen, S W; Hirata, R P; Graven-Nielsen, T

    2017-04-01

    Neck pain is a large clinical problem where reorganized trunk and axioscapular muscle activities have been hypothesised contributing to pain persistence and pain hypersensitivity. This study investigated the effects of bilateral experimental neck pain on trunk and axioscapular muscle function and pain sensitivity. In 25 healthy volunteers, bilateral experimental neck pain was induced in the splenius capitis muscles by hypertonic saline injections. Isotonic saline was used as control. In sitting, subjects performed slow, fast and slow-resisted unilateral arm movements before, during and after injections. Electromyography (EMG) was recorded from eight shoulder and trunk muscles bilaterally. Pressure pain thresholds (PPTs) were assessed bilaterally at the neck, head and arm. Data were normalized to the before-measures. Compared with control and post measurements, experimental neck pain caused (1) decreased EMG activity of the ipsilateral upper trapezius muscles during all but slow-resisted down movements (p neck pain reorganized axioscapular and trunk muscle activity together with local hyperalgesia and widespread hypoalgesia indicating that acute neck pain immediately affects trunk and axioscapular function which may affect both assessment and treatment. Bilateral clinical neck pain alters axioscapular muscle coordination but only effects of unilateral experimental neck pain has been investigated. Bilateral experimental neck pain causes task-dependent reorganized axioscapular and trunk muscle activity in addition to widespread decrease in pressure pain sensitivity. © 2016 European Pain Federation - EFIC®.

  7. Mirror therapy in lower limb amputees. A look beyond primary motor cortex reorganization

    International Nuclear Information System (INIS)

    Seidel, S.; Essmeister, M.; Sycha, T.; Auff, E.; Kasprian, G.; Furtner, J.; Schoepf, V.; Prayer, D.

    2011-01-01

    Phantom pain in upper limb amputees is associated with the extent of reorganization in the primary sensorimotor cortex. Mirror visual feedback therapy has been shown to improve phantom pain. We investigated the extent of cortical reorganization in lower limb amputees and changes in neural activity induced by mirror therapy. Eight lower limb amputees underwent 12 sessions of MVFT and functional magnetic resonance imaging (fMRI) of the brain before the first and after the last MVFT session. FMRI sessions consisted of two runs in which subjects were instructed to perform repetitive movement of the healthy and phantom ankle. Before MVFT, the mean phantom pain intensity was 4.6 ± 3.1 on a visual analog scale and decreased to 1.8 ± 1.7 (p = 0.04). We did not observe a consistent pattern of cortical activation in primary sensorimotor areas during phantom limb movements. Following MVFT, increased activity was obtained in the right orbitofrontal cortex during phantom ankle movements. Comparison of cortical activity during movements of the phantom ankle and the intact ankle showed significantly higher activity in the left inferior frontal cortex (pars triangularis). These results question the known association between phantom pain and primary sensorimotor reorganization and propose reorganizational changes involving multiple cortical areas in lower limb amputees. Finally, reduction of phantom pain after mirror visual feedback therapy was associated with increased prefrontal cortical activity during phantom ankle movements. (orig.)

  8. Reorganization of Anatomical Connectome following Electroconvulsive Therapy in Major Depressive Disorder

    Directory of Open Access Journals (Sweden)

    Jinkun Zeng

    2015-01-01

    Full Text Available Objective. Electroconvulsive therapy (ECT is considered one of the most effective and fast-acting treatment options for depressive episodes. Little is known, however, about ECT’s enabling brain (neuroplasticity effects, particular for plasticity of white matter pathway. Materials and Methods. We collected longitudinal diffusion tensor imaging in the first-episode, drug-naïve major depressive disorder (MDD patients n=24 before and after a predefined time window ECT treatment. We constructed large-scale anatomical networks derived from white matter fiber tractography and evaluated the topological reorganization using graph theoretical analysis. We also assessed the relationship between topological reorganization with improvements in depressive symptoms. Results. Our investigation revealed three main findings: (1 the small-worldness was persistent after ECT series; (2 anatomical connections changes were found in limbic structure, temporal and frontal lobes, in which the connection changes between amygdala and parahippocampus correlate with depressive symptom reduction; (3 significant nodal strength changes were found in right paralimbic network. Conclusions. ECT elicits neuroplastic processes associated with improvements in depressive symptoms that act to specific local ventral frontolimbic circuits, but not small-world property. Overall, ECT induced topological reorganization in large-scale brain structural network, opening up new avenues to better understand the mode of ECT action in MDD.

  9. Updating Procedures Can Reorganize the Neural Circuit Supporting a Fear Memory.

    Science.gov (United States)

    Kwapis, Janine L; Jarome, Timothy J; Ferrara, Nicole C; Helmstetter, Fred J

    2017-07-01

    Established memories undergo a period of vulnerability following retrieval, a process termed 'reconsolidation.' Recent work has shown that the hypothetical process of reconsolidation is only triggered when new information is presented during retrieval, suggesting that this process may allow existing memories to be modified. Reconsolidation has received increasing attention as a possible therapeutic target for treating disorders that stem from traumatic memories, yet little is known about how this process changes the original memory. In particular, it is unknown whether reconsolidation can reorganize the neural circuit supporting an existing memory after that memory is modified with new information. Here, we show that trace fear memory undergoes a protein synthesis-dependent reconsolidation process following exposure to a single updating trial of delay conditioning. Further, this reconsolidation-dependent updating process appears to reorganize the neural circuit supporting the trace-trained memory, so that it better reflects the circuit supporting delay fear. Specifically, after a trace-to-delay update session, the amygdala is now required for extinction of the updated memory but the retrosplenial cortex is no longer required for retrieval. These results suggest that updating procedures could be used to force a complex, poorly defined memory circuit to rely on a better-defined neural circuit that may be more amenable to behavioral or pharmacological manipulation. This is the first evidence that exposure to new information can fundamentally reorganize the neural circuit supporting an existing memory.

  10. Could LC-NE-Dependent Adjustment of Neural Gain Drive Functional Brain Network Reorganization?

    Directory of Open Access Journals (Sweden)

    Carole Guedj

    2017-01-01

    Full Text Available The locus coeruleus-norepinephrine (LC-NE system is thought to act at synaptic, cellular, microcircuit, and network levels to facilitate cognitive functions through at least two different processes, not mutually exclusive. Accordingly, as a reset signal, the LC-NE system could trigger brain network reorganizations in response to salient information in the environment and/or adjust the neural gain within its target regions to optimize behavioral responses. Here, we provide evidence of the co-occurrence of these two mechanisms at the whole-brain level, in resting-state conditions following a pharmacological stimulation of the LC-NE system. We propose that these two mechanisms are interdependent such that the LC-NE-dependent adjustment of the neural gain inferred from the clustering coefficient could drive functional brain network reorganizations through coherence in the gamma rhythm. Via the temporal dynamic of gamma-range band-limited power, the release of NE could adjust the neural gain, promoting interactions only within the neuronal populations whose amplitude envelopes are correlated, thus making it possible to reorganize neuronal ensembles, functional networks, and ultimately, behavioral responses. Thus, our proposal offers a unified framework integrating the putative influence of the LC-NE system on both local- and long-range adjustments of brain dynamics underlying behavioral flexibility.

  11. Acetylation-Dependent Chromatin Reorganization by BRDT, a Testis-Specific Bromodomain-Containing Protein

    Science.gov (United States)

    Pivot-Pajot, Christophe; Caron, Cécile; Govin, Jérôme; Vion, Alexandre; Rousseaux, Sophie; Khochbin, Saadi

    2003-01-01

    The association between histone acetylation and replacement observed during spermatogenesis prompted us to consider the testis as a source for potential factors capable of remodelling acetylated chromatin. A systematic search of data banks for open reading frames encoding testis-specific bromodomain-containing proteins focused our attention on BRDT, a testis-specific protein of unknown function containing two bromodomains. BRDT specifically binds hyperacetylated histone H4 tail depending on the integrity of both bromodomains. Moreover, in somatic cells, the ectopic expression of BRDT triggered a dramatic reorganization of the chromatin only after induction of histone hyperacetylation by trichostatin A (TSA). We then defined critical domains of BRDT involved in its activity. Both bromodomains of BRDT, as well as flanking regions, were found indispensable for its histone acetylation-dependent remodelling activity. Interestingly, we also observed that recombinant BRDT was capable of inducing reorganization of the chromatin of isolated nuclei in vitro only when the nuclei were from TSA-treated cells. This assay also allowed us to show that the action of BRDT was ATP independent, suggesting a structural role for the protein in the remodelling of acetylated chromatin. This is the first demonstration of a large-scale reorganization of acetylated chromatin induced by a specific factor. PMID:12861021

  12. Experimental evidence of dynamic re-organization of evolving landscapes under changing climatic forcing

    Science.gov (United States)

    Singh, Arvind; Tejedor, Alejandro; Zaliapin, Ilya; Reinhardt, Liam; Foufoula-Georgiou, Efi

    2015-04-01

    The aim of this study is to better understand the dynamic re-organization of an evolving landscape under a scenario of changing climatic forcing for improving our knowledge of geomorphic transport laws under transient conditions and developing predictive models of landscape response to external perturbations. Real landscape observations for long-term analysis are limited and to this end a high resolution controlled laboratory experiment was conducted at the St. Anthony Falls laboratory at the University of Minnesota. Elevation data were collected at temporal resolution of 5 mins and spatial resolution of 0.5 mm as the landscape approached steady state (constant uplift and precipitation rate) and in the transient state (under the same uplift and 5x precipitation). The results reveal rapid topographic re-organization under a five-fold precipitation increase with the fluvial regime expanding into the previously debris dominated regime, accelerated erosion happening at hillslope scales, and rivers shifting from an erosion-limited to a transport-limited regime. From a connectivity and clustering analysis of the erosional and depositional events, we demonstrate the strikingly different spatial patterns of landscape evolution under steady-state (SS) and transient-state (TS), even when the time under SS is "stretched" compared to that under TS such as to match the total volume and PDF of erosional and depositional amounts. We quantify the spatial coupling of hillslopes and channels and demonstrate that hillslopes lead and channels follow in re-organizing the whole landscape under such an amplified precipitation regime.

  13. Dynamic neural network reorganization associated with second language vocabulary acquisition: a multimodal imaging study.

    Science.gov (United States)

    Hosoda, Chihiro; Tanaka, Kanji; Nariai, Tadashi; Honda, Manabu; Hanakawa, Takashi

    2013-08-21

    It remains unsettled whether human language relies exclusively on innately privileged brain structure in the left hemisphere or is more flexibly shaped through experiences, which induce neuroplastic changes in potentially relevant neural circuits. Here we show that learning of second language (L2) vocabulary and its cessation can induce bidirectional changes in the mirror-reverse of the traditional language areas. A cross-sectional study identified that gray matter volume in the inferior frontal gyrus pars opercularis (IFGop) and connectivity of the IFGop with the caudate nucleus and the superior temporal gyrus/supramarginal (STG/SMG), predominantly in the right hemisphere, were positively correlated with L2 vocabulary competence. We then implemented a cohort study involving 16 weeks of L2 training in university students. Brain structure before training did not predict the later gain in L2 ability. However, training intervention did increase IFGop volume and reorganization of white matter including the IFGop-caudate and IFGop-STG/SMG pathways in the right hemisphere. These "positive" plastic changes were correlated with the gain in L2 ability in the trained group but were not observed in the control group. We propose that the right hemispheric network can be reorganized into language-related areas through use-dependent plasticity in young adults, reflecting a repertoire of flexible reorganization of the neural substrates responding to linguistic experiences.

  14. CD82 endocytosis and cholesterol-dependent reorganization of tetraspanin webs and lipid rafts

    Science.gov (United States)

    Xu, Congfeng; Zhang, Yanhui H.; Thangavel, Muthusamy; Richardson, Mekel M.; Liu, Li; Zhou, Bin; Zheng, Yi; Ostrom, Rennolds S.; Zhang, Xin A.

    2009-01-01

    Tetraspanin CD82 suppresses cell migration, tumor invasion, and tumor metastasis. To determine the mechanism by which CD82 inhibits motility, most studies have focused on the cell surface CD82, which forms tetraspanin-enriched microdomains (TEMs) with other transmembrane proteins, such as integrins. In this study, we found that CD82 undergoes endocytosis and traffics to endosomes and lysosomes. To determine the endocytic mechanism of CD82, we demonstrated that dynamin and clathrin are not essential for CD82 internalization. Depletion or sequestration of sterol in the plasma membrane markedly inhibited the endocytosis of CD82. Despite the demand on Cdc42 activity, CD82 endocytosis is distinct from macropinocytosis and the documented dynamin-independent pinocytosis. As a TEM component, CD82 reorganizes TEMs and lipid rafts by redistributing cholesterol into these membrane microdomains. CD82-containing TEMs are characterized by the cholesterol-containing microdomains in the extreme light- and intermediate-density fractions. Moreover, the endocytosis of CD82 appears to alleviate CD82-mediated inhibition of cell migration. Taken together, our studies demonstrate that lipid-dependent endocytosis drives CD82 trafficking to late endosomes and lysosomes, and CD82 reorganizes TEMs and lipid rafts through redistribution of cholesterol.—Xu, C., Zhang, Y. H., Thangavel, M., Richardson, M. M., Liu, L., Zhou, B., Zheng, Y., Ostrom, R. S., Zhang, X. A. CD82 endocytosis and cholesterol-dependent reorganization of tetraspanin webs and lipid rafts. PMID:19497983

  15. The Association Between Workers' Employability and Burnout in a Reorganization Context: Longitudinal Evidence Building Upon the Conservation of Resources Theory

    NARCIS (Netherlands)

    de Cuyper, Nele; Raeder, Sabine; van der Heijden, Beatrice; Wittekind, Anette

    2012-01-01

    This longitudinal study probes the relationship between employability and burnout among employees from a company undergoing reorganization. We advanced employability as a personal resource that relates negatively to burnout. We expected that this hypothesis would hold for different

  16. 76 FR 771 - Reorganization/Expansion of Foreign-Trade Zone 14 Under Alternative Site Framework; Little Rock, AR

    Science.gov (United States)

    2011-01-06

    ... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [Order No. 1729] Reorganization/Expansion of Foreign-Trade Zone 14 Under Alternative Site Framework; Little Rock, AR Pursuant to its authority under... the Little Rock Customs and Border [[Page 772

  17. MODIFIED KACHUGIN METHOD OF ALTERNATIVE SOFTWARE-BASED PROJECTION OF THE PATTERN OF REORGANIZATION OF ABRASION SHORES OF WATER RESERVOIRS IN THE FLAT TERRAIN

    Directory of Open Access Journals (Sweden)

    Sobol' Il'ya Stanislavovich

    2012-10-01

    Full Text Available Presently, effective regulations employed in the Russian Federation recommend the use of the methods developed by E.G. Kachuchin, G.S. Zolotarev, I.A. Pecherkin, etc. for the projection of patterns of reorganization of coastlines of water reservoirs. One of these methods, developed by E.G. Kachugin, belongs to the group of power methods based on the hypothesis that the amplitudes of destruction of the coast are proportionate to the total wave energy alongside the coastline. The Kachugin method was reworked into a computer-based two-dimensional engineering model of reorganization of the abrasion shore. The model generates alternative projections. It simulates the processes of washout and accumulation of soil in the coastal area and solves the problem of predicting the potential profile of the shore within a pre-set time period or until the abrasion is smoothed away in the course of formation of coastal shallows. The model testing has proven its efficiency in solving the engineering problems of projecting the line of reservoir abrasion shores with a high degree of reliability.

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

    Science.gov (United States)

    Domański, Wojciech; Makles, Zbigniew

    2012-01-01

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

  19. Organic solvents from sugar cane molasses

    Energy Technology Data Exchange (ETDEWEB)

    Oeser, H

    1970-01-01

    The production of organic solvents by fermentation of low priced cane molasses is discussed. Processes described and illustrated in detail include the production of acetone, butanol, ethanol, acetic acid, ethyl acetate and butyl acetate.

  20. Solvent induced supramolecular anisotropy in molecular gels

    Energy Technology Data Exchange (ETDEWEB)

    Rogers, Michael A., E-mail: mroger09@uoguelph.ca [Department of Food Science, University of Guelph, Guelph, Ontario, N3C3X9 (Canada); Corradini, Maria G. [Department of Food Science, University of Massachusetts Amherst, Amherst, MA, 01003 (United States); Emge, Thomas [Department of Chemistry and Biochemistry, Rutgers University, New Brunswick, NJ, 08901 (United States)

    2017-06-15

    Herein is the first report of solvent induced anisotropy in 12-hydroxystearic acid self-assembled fibrillar networks. Increasing the chain length of polar solvent, such as nitriles and ketones, tailored the anisotropy of the fibrillar aggregates. 12HSA molecular gels, comprised of alkanes, exhibited an isotropic fibrillar network irrespective of the alkane chain length. In polar solvents, anisotropy, observed using 2D powder x-ray diffraction profiles, is correlated to a fibrillar supramolecular morphologies in long chain nitriles and ketones while sphereulitic crystals are correlated to x-ray diffraction patterns with an isotropic scatter intensity in short chain ketones and nitriles. These changes directly modify the final physical properties of the gels. - Highlights: • 12-HSA self-assembles into crystalline supramolecular morphologies depending on the solvent. • Alkanes, short chain nitriles and ketones led to 12-HSA displaying supramolecular isotropy. • In long chain nitriles and ketones, 12-HSA displays supramolecular anisotropy.

  1. Solvent induced supramolecular anisotropy in molecular gels

    International Nuclear Information System (INIS)

    Rogers, Michael A.; Corradini, Maria G.; Emge, Thomas

    2017-01-01

    Herein is the first report of solvent induced anisotropy in 12-hydroxystearic acid self-assembled fibrillar networks. Increasing the chain length of polar solvent, such as nitriles and ketones, tailored the anisotropy of the fibrillar aggregates. 12HSA molecular gels, comprised of alkanes, exhibited an isotropic fibrillar network irrespective of the alkane chain length. In polar solvents, anisotropy, observed using 2D powder x-ray diffraction profiles, is correlated to a fibrillar supramolecular morphologies in long chain nitriles and ketones while sphereulitic crystals are correlated to x-ray diffraction patterns with an isotropic scatter intensity in short chain ketones and nitriles. These changes directly modify the final physical properties of the gels. - Highlights: • 12-HSA self-assembles into crystalline supramolecular morphologies depending on the solvent. • Alkanes, short chain nitriles and ketones led to 12-HSA displaying supramolecular isotropy. • In long chain nitriles and ketones, 12-HSA displays supramolecular anisotropy.

  2. Full scale solvent extraction remedial results

    International Nuclear Information System (INIS)

    Cash, A.B.

    1992-01-01

    Sevenson Extraction Technology, Inc. has completed the development of the Soil Restoration Unit (initially developed by Terra-Kleen Corporation), a mobile, totally enclosed solvent extraction treatment facility for the removal of organic contaminated media is greater by a closed loop, counter current process that recycles all solvents. The solvents used are selected for the individual site dependant upon the contaminants, such as PCB's, oil, etc. and the soil conditions. A mixture of up to fourteen non-toxic solvents can be used for complicated sites. The full scale unit has been used to treat one superfund site, the Traband Site in Tulsa, Oklahoma, and is currently treating another superfund site, the Pinette's Salvage Yard Site in Washburn, Maine. The full scale Soil Restoration Unit has also been used at a non-superfund site, as part of a TSCA Research and Development permit. The results from these sites will be discussed in brief herein, and in more detail in the full paper

  3. Enantioselective solvent-free Robinson annulation reactions

    Indian Academy of Sciences (India)

    Unknown

    solvents to effect an asymmetric synthesis is an important step forward towards ... In continuation of our preliminary communication 2, we wish to ..... formation of chiral enamine 74 from the reaction of S-proline with pro-R carbonyl group.

  4. STUDIES ON SOLVENT EXTRACTION OF FREE HYDROGEN ...

    African Journals Online (AJOL)

    synthesized through glucose degradation (glycolysis) to lactic acid. ... g sample into a well stoppered plastic bottle and mixed with 20 mL of distilled .... Recovery of used solvent is necessary because methylchloroform is toxic to the bacteria.

  5. Green and Bio-Based Solvents.

    Science.gov (United States)

    Calvo-Flores, Francisco G; Monteagudo-Arrebola, María José; Dobado, José A; Isac-García, Joaquín

    2018-04-24

    Chemical reactions and many of the procedures of separation and purification employed in industry, research or chemistry teaching utilize solvents massively. In the last decades, with the birth of Green Chemistry, concerns about the employment of solvents and the effects on human health, as well as its environmental impacts and its dependence on non-renewable raw materials for manufacturing most of them, has drawn the attention of the scientific community. In this work, we review the concept of green solvent and the properties and characteristics to be considered green. Additionally, we discuss the different possible routes to prepare many solvents from biomass, as an alternative way to those methods currently applied in the petrochemical industry.

  6. Activity coefficients of solutes in binary solvents

    International Nuclear Information System (INIS)

    Gokcen, N.A.

    1982-01-01

    The activity coefficients in dilute ternary systems are discussed in detail by using the Margules equations. Analyses of some relevant data at high temperatures show that the sparingly dissolved solutes in binary solvents follow complex behavior even when the binary solvents are very nearly ideal. It is shown that the activity data on the solute or the binary system cannot permit computation of the remaining activities except for the regular solutions. It is also shown that a fourth-order equation is usually adequate in expressing the activity coefficient of a solute in binary solvents at high temperatures. When the activity data for a binary solvent are difficult to obtain in a certain range of composition, the activity data for a sparingly dissolved solute can be used to supplement determination of the binary activities

  7. Prediction of Corrosion of Alloys in Mixed-Solvent Environments

    Energy Technology Data Exchange (ETDEWEB)

    Anderko, Andrzej [OLI Systems Inc. Morris Plains (United States); Wang, Peiming [OLI Systems Inc. Morris Plains (United States); Young, Robert D. [OLI Systems Inc. Morris Plains (United States); Riemer, Douglas P. [OLI Systems Inc. Morris Plains (United States); McKenzie, Patrice [OLI Systems Inc. Morris Plains (United States); Lencka, Malgorzata M. [OLI Systems Inc. Morris Plains (United States); Babu, Sudarsanam Suresh [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Angelini, Peter [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2003-06-05

    Corrosion is much less predictable in organic or mixed-solvent environments than in aqueous process environments. As a result, US chemical companies face greater uncertainty when selecting process equipment materials to manufacture chemical products using organic or mixed solvents than when the process environments are only aqueous. Chemical companies handle this uncertainty by overdesigning the equipment (wasting money and energy), rather than by accepting increased risks of corrosion failure (personnel hazards and environmental releases). Therefore, it is important to develop simulation tools that would help the chemical process industries to understand and predict corrosion and to develop mitigation measures. To create such tools, we have developed models that predict (1) the chemical composition, speciation, phase equilibria, component activities and transport properties of the bulk (aqueous, nonaqueous or mixed) phase that is in contact with the metal; (2) the phase equilibria and component activities of the alloy phase(s) that may be subject to corrosion and (3) the interfacial phenomena that are responsible for corrosion at the metal/solution or passive film/solution interface. During the course of this project, we have completed the following: (1) Development of thermodynamic modules for calculating the activities of alloy components; (2) Development of software that generates stability diagrams for alloys in aqueous systems; these diagrams make it possible to predict the tendency of metals to corrode; (3) Development and extensive verification of a model for calculating speciation, phase equilibria and thermodynamic properties of mixed-solvent electrolyte systems; (4) Integration of the software for generating stability diagrams with the mixed-solvent electrolyte model, which makes it possible to generate stability diagrams for nonaqueous or mixed-solvent systems; (5) Development of a model for predicting diffusion coefficients in mixed-solvent electrolyte

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

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  9. An overview of industrial solvent use or is there life after chlorinated solvents?

    International Nuclear Information System (INIS)

    Green, B.

    1991-01-01

    Everyone using industrial chemicals has been affected by the fire- storm of new regulations governing solvent use. How will companies currently using hazardous solvents prepare for the changes ahead? What will the impact be on commonly used industrial solvents? What effect are environmental pressures having on solvent use and disposal? Are the responsible individuals in your company up-to-date on phase-out schedules? This paper is written for an audience of compliance coordinators, consultants, production engineers and corporate management. In it, the either addresses the above questions and discusses the specific products affected. The author reviews currently available alternatives to chlorinated and hazardous solvents and introduces a simple system for rating alternatives. The program also includes a discussion of solvent minimization programs and worker reeducation

  10. Occupational exposure to solvents and bladder cancer

    DEFF Research Database (Denmark)

    Hadkhale, Kishor; Martinsen, Jan Ivar; Weiderpass, Elisabete

    2017-01-01

    logistic regression model was used to estimate hazard ratios (HR) and their 95% confidence intervals (95% CI). Increased risks were observed for trichloroethylene (HR 1.23, 95% 95% CI 1.12-1.40), toluene (HR 1.20, 95% CI 1.00-1.38), benzene (HR 1.16, 95% CI 1.04-1.31), aromatic hydrocarbon solvents (HR 1...... of occupational exposure to trichloroethylene, perchloroethylene, aromatic hydrocarbon solvents, benzene and toluene and the risk of bladder cancer....

  11. Computer-Aided Solvent Screening for Biocatalysis

    DEFF Research Database (Denmark)

    Abildskov, Jens; Leeuwen, M.B. van; Boeriu, C.G.

    2013-01-01

    constrained properties related to chemical reaction equilibrium, substrate and product solubility, water solubility, boiling points, toxicity and others. Two examples are provided, covering the screening of solvents for lipase-catalyzed transesterification of octanol and inulin with vinyl laurate....... Esterification of acrylic acid with octanol is also addressed. Solvents are screened and candidates identified, confirming existing experimental results. Although the examples involve lipases, the method is quite general, so there seems to be no preclusion against application to other biocatalysts....

  12. Solvent management in a reprocessing plant

    International Nuclear Information System (INIS)

    Guillaume, B.; Germain, M.; Puyou, M.; Rouyer, H.

    1987-01-01

    Solvent management in large capacity reprocessing plant is studied to limit production of organic wastes. Chemical processing increases life time of solvent. Low pressure distillation allows the recycling of TBP and diluent at a low activity level. Besides heavy degradation products are eliminated. For the safety the flash point of distillated diluent increases slightly. Tests on an industrial scale started in 1985 and since more than 500 cubic meters were treated [fr

  13. How many molecular layers of polar solvent molecules control chemistry? The concept of compensating dipoles.

    Science.gov (United States)

    Langhals, Heinz; Braun, Patricia; Dietl, Christian; Mayer, Peter

    2013-09-27

    The extension of the solvent influence of the shell into the volume of a polar medium was examined by means of anti-collinear dipoles on the basis of the E(T)(30) solvent polarity scale (i.e., the molar energy of excitation of a pyridinium-N-phenolatebetaine dye; generally: E(T) =28,591 nm kcal mol(-1)/λmax) where no compensation effects were found. As a consequence, solvent polarity effects are concentrated to a very thin layer of a few thousand picometres around the solute where extensions into the bulk solvent become unimportant. A parallelism to the thin surface layer of water to the gas phase is discussed. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Solvent polarity scale on the fluorescence spectra of a dansyl monomer copolymerizable in aqueous media

    Science.gov (United States)

    Ren, Biye; Gao, Feng; Tong, Zhen; Yan, Yu

    1999-06-01

    A copolymerizable fluorescent monomer N-[2-[[[5-(N,N-dimethylamino)-1-naphthalenyl]sulfonyl]-amino]ethyl]-2-propenamide (DANSAEP) was synthesized, which exhibits dual fluorescence due to the twisted intramolecular charge transfer in the excited state. The emission maximum λem shifts from 463.3 nm in n-hexane to 530.0 nm in water, showing solvent polarity dependence. The relations between λem and the conventional solvent polarity parameters ET(30) or Z are linear, dividing solvents into protic and aprotic groups. Kamlet's linear solvation energy relationship gives a good description for λem as a solvent polarity scale. The increment of dipole moment Δ μ at the excited state was estimated as 5.09 D with the solvatochromic analysis.

  15. Solid–liquid phase equilibrium and dissolution properties of ethyl vanillin in pure solvents

    International Nuclear Information System (INIS)

    Wu, Hao; Wang, Jingkang; Zhou, Yanan; Guo, Nannan; Liu, Qi; Zong, Shuyi; Bao, Ying; Hao, Hongxun

    2017-01-01

    Highlights: • Solubility of ethyl vanillin in eight pure solvents were determined by a static analytical method. • The experimental solubility data of ethyl vanillin were correlated and analyzed by four thermodynamic models. • Dissolution thermodynamic properties of ethyl vanillin were calculated and discussed. - Abstract: The solubility of ethyl vanillin (EVA) in eight pure solvents were determined in different temperature ranges from (273.15 to 318.15) K by a static analytical method. In the temperature ranges investigated, it was found that the solubility of EVA in all the selected solvents increased with the rising of temperature. Furthermore, four thermodynamic models were used to correlate the experimental solubility data and the calculation results showed that selected models can be used to correlate the solubility data with satisfactory accuracy. Finally, the dissolution thermodynamic properties, including dissolution Gibbs energy, dissolution enthalpy and dissolution entropy of EVA in the eight selected solvents were calculated.

  16. Reuse of organobentonites with a carbon dioxide responsive solvent.

    Science.gov (United States)

    Luan, Ling-Yu; Zhang, Li; Wang, Li-Hong

    2018-05-22

    Synthesized organobentonite (SOB), montmorillonite (MMT), and commercial organobentonite (COB) were used as adsorbents for paraffin oil, a model pollutant in land-based oil spills and oil pipeline rupture. The characterization of clays was carried out with scanning electron microscopy (SEM), thermogravimetric analysis (TG), Fourier transform infrared spectroscopy (FTIR), and X-ray diffraction (XRD). After adsorption, oil was separated from adsorbents with a carbon dioxide responsive solvent N,N-dimethylcyclohexylamine (DMCHA), and DMCHA was subsequently separated from paraffin oil upon CO 2 bubbling instead of distillation with high energy cost. The adsorption capacity of oil to SOB, MMT, and COB was 0.686, 1.124, and 1.239 g/g, respectively. It was found that the adsorption capacity and rinsed amount of the adsorbents depended on the d-spacing, which is related to surfactant content. Electrical conductivity and pH measurements suggested that the separation process occurred via two steps. Firstly, during the initial 35 min, carbonate ions coexisted with bicarbonate ions. Then, only bicarbonate ions existed after the introduction of CO 2 gas for 120 min. Thus, organobentonites were feasible for hydrocarbon adsorption and could be simply reused by an amine-based responsive solvent. This work provided a cost-effective and sustainable method of recycling of organobentonites and the responsive solvent, which can be used to deal with leaked oil and oil spills.

  17. Thin porphyrin composite membranes with enhanced organic solvent transport

    KAUST Repository

    Phuoc, Duong

    2018-05-01

    Extending the stability of polymeric membranes in organic solvents is important for applications in chemical and pharmaceutical industry. Thin-film composite membranes with enhanced solvent permeance are proposed, using porphyrin as a building block. Hybrid polyamide films are formed by interfacial polymerization of 5,10,15,20-(tetra-4-aminophenyl)porphyrin/m-phenylene diamine (MPD) mixtures with trimesoyl chloride. Porphyrin is a non-planar molecule, containing a heterocyclic tetrapyrrole unit. Its incorporation into a polyamide film leads to higher free volume than that of a standard polyamide film. Polyamide films derived from porphyrin and MPD amines with a fixed total amine concentration of 1wt% and various porphyrin/MPD ratios were fabricated and characterized. The porphyrin/MPD polyamide film was complexed with Cu(II), due to the binding capacity of porphyrin to metal ions. By coupling scanning transmission electron microscopy (STEM) with electron energy-loss spectroscopy (EELS), Cu mapping was obtained, revealing the distribution of porphyrin in the interfacial polymerized layer. By using porphyrin as amine-functionalized monomer a membrane with thin selective skin and enhanced solvent transport is obtained, with good dye selectivity in the nanofiltration range. For instance, an ultra-fast hexane permeance, 40-fold increased, was confirmed when using 0.5/0.5 porphyrin/MPD mixtures, instead of only MPD as amine monomer. A rejection of 94.2% Brilliant Blue R (826g/mol) in methanol was measured.

  18. Experiment on the treatment of waste extraction solvent from the molybdenum-99 process

    Energy Technology Data Exchange (ETDEWEB)

    Hsien-Ming Hsiao; Chang-Liang Hu; Kuang-Li Chien; Wen-Cheng Lee; Tsong-Yang Wei [Division of Chemical Engineering, Institute of Nuclear Energy Research, P.O. Box 3-7, Longtan 32546 Taiwan (China)

    2013-07-01

    In the Mo-99 (Molybdenum-99) isotope extraction test process for radiopharmaceutical applications, organic solvent is used to extract Mo-99 from an irradiated UO{sub 2} dissolution. The extraction solvent was stored when the test work was stopped. A total of about 120 liters of waste solvent was stored at INER (Institute of Nuclear Energy Research, Taiwan). The extraction solvent consisted of 5% di-(2-ethylhexyl)-phosphoric acid (D2EHPA) and kerosene. The radionuclides found in the waste solvent include Cs-137, Am-241, Tc-99, and Sr-90, which give off gross alpha and beta radioactivity of 1898 and 471 Bq/ml, respectively. This study aims to remove radionuclides from the waste solvent using sodium carbonate and sodium hydroxide solutions in different concentrations. After mixing the waste solvent with the alkaline solution followed by settling, a third phase other than organic and aqueous phase appeared which is expected due to the saponification reaction. The experimental results showed that increasing the number of washing and the alkaline solution concentration could enhance the radionuclides removal rate. An optimal removal method was proposed using 2 M Na{sub 2}CO{sub 3} solution twice followed by 1 M NaOH solution one time for the third phase generated early in the mixing stages. The remaining gross alpha and beta radioactivity of the treated organic solvent was 2 and 3 Bq/ml, respectively. The treated solvent could be stabilized by ashing at 500 deg. C and then immobilized. The alkaline solution would be neutralized by hydrochloric or nitric acid and then treated using a variety of adsorbents or bone char via adsorption to remove nuclides to meet the wastewater discharge limitation. (authors)

  19. Design and construction of an interceptor system for radioactively contaminated solvent

    International Nuclear Information System (INIS)

    Weiss, T.G. Jr.; Blickwedehl, R.R.

    1991-01-01

    During the conduct of fuel reprocessing operations at the Western New York Nuclear Service Center from 1966 to 1972, the site operator disposed of spent solvent by shallow land burial in the area used for disposal of solid radioactive waste. The spent solvent was placed in twenty-two 3785 liter (1000-gallon) steel tanks which were then placed in eight 6-meter-deep burial holes. With the passage of time groundwater entered the tanks displacing the solvent (a mixture of tributyl phosphate and n-dodecane) and allowing it to enter the surrounding groundwater system. The solvent, which is lighter than water, floated to the surface of the groundwater within the burial holes and began to migrate laterally through cracks caused by weathering. In 1983, after the US Department of Energy (DOE) initiated efforts for the West Valley Demonstration Project (WVDP), trace amounts of solvent were encountered in a monitoring well near the perimeter of the burial area. Since the initial discovery, extensive studies and continued monitoring have been conducted of the solvent migration. In the fall of 1989, this monitoring showed evidence of further on-site migration of the solvent within the disposal area. In response, the DOE authorized West Valley Nuclear Services Company, Inc. (WVNS) to proceed with the design and construction of a trench system to intercept the flow of solvent and prevent it from discharging to nearby streams. Since the solvent and the contaminated groundwater samples taken in the area exhibited high levels of Iodine-129 in an organic complex, it was necessary to construct a pretreatment facility. An important aspect of the trench construction was the management of contaminated soil and construction water. Contaminated soils were placed into storage containers and held for future treatment and disposal. All water pumped from the trench during construction was stored in large bladder tanks, analyzed for hazardous constituents, and upon finding none, was discharged

  20. Hazardous Solvent Substitution Data System reference manual

    International Nuclear Information System (INIS)

    Branham-Haar, K.A.; Twitchell, K.E.

    1993-07-01

    Concern for the environment, in addition to Federal regulation, mandate the replacement of hazardous solvents with safer cleaning agents. Manufacturers are working to produce these replacement solvents. As these products are developed, potential users need to be informed of their availability. To promote the use of these new products instead of traditional solvents, the Idaho National Engineering Laboratory (INEL) has developed the Hazardous Solvent Substitution Data System (HSSDS). The HSSDS provides a comprehensive system of information on alternatives to hazardous solvents and related subjects, and it makes that information available to solvent users, industrial hygienists, and process engineers. The HSSDS uses TOPIC reg-sign, a text retrieval system produced by Verity, Inc., to allow a user to search for information on a particular subject. TOPIC reg-sign produces a listing of the retrieved documents and allows the use to examine the documents individually and to use the information contained in them. This reference manual does not replace the comprehensive TOPIC reg-sign user documentation (available from Verity, Inc.), or the HSSDS Tutorial (available from the INEL). The purpose of this reference manual is to provide enough instruction on TOPIC reg-sign so the user may begin accessing the data contained in the HSSDS

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

    Energy Technology Data Exchange (ETDEWEB)

    Delmau, L.H.

    2002-10-08

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

  2. Comparisons of amine solvents for post-combustion CO{sub 2} capture: A multi-objective analysis approach

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Anita S; Eslick, John C; Miller, David C; Kitchin, John R

    2013-10-01

    Amine solvents are of great interest for post-combustion CO{sub 2} capture applications. Although the development of new solvents is predominantly conducted at the laboratory scale, the ability to assess the performance of newly developed solvents at the process scale is crucial to identifying the best solvents for CO{sub 2} capture. In this work we present a methodology to evaluate and objectively compare the process performance of different solvents. We use Aspen Plus, with the electrolyte-NRTL thermodynamic model for the solvent CO{sub 2} interactions, coupled with a multi-objective genetic algorithm optimization to determine the best process design and operating conditions for each solvent. This ensures that the processes utilized for the comparison are those which are best suited for the specific solvent. We evaluate and compare the process performance of monoethanolamine (MEA), diethanolamine (DEA), and 2-amino-2-methyl-1-propanol (AMP) in a 90% CO{sub 2} capture process from a 550 MW coal fired power plant. From our analysis the best process specifications are amine specific and with those specific, optimized specifications DEA has the potential to be a better performing solvent than MEA, with a lower energy penalty and lower capital cost investment.

  3. Decree No. 2000 of 3 October 1980 modifying Decree No. 1613 of 29 June 1979 on the restructuring of the Ministry of Industry and Energy

    International Nuclear Information System (INIS)

    1980-01-01

    This Decree which further reorganizes the Commissions and Directorates within the Ministry of Industry and Energy provides, inter alia, that the Commissioner for Energy and Mineral Resources shall also be the Chairman of the Junta de Energia Nuclear. (NEA) [fr

  4. Molecular reorganization of selected quinoline derivatives in the ground and excited states—Investigations via static DFT

    Science.gov (United States)

    Błaziak, Kacper; Panek, Jarosław J.; Jezierska, Aneta

    2015-07-01

    Quinoline derivatives are interesting objects to study internal reorganizations due to the observed excited-state-induced intramolecular proton transfer (ESIPT). Here, we report on computations for selected 12 quinoline derivatives possessing three kinds of intramolecular hydrogen bonds. Density functional theory was employed for the current investigations. The metric and electronic structure simulations were performed for the ground state and first excited singlet and triplet states. The computed potential energy profiles do not show a spontaneous proton transfer in the ground state, whereas excited states exhibit this phenomenon. Atoms in Molecules (AIM) theory was applied to study the nature of hydrogen bonding, whereas Harmonic Oscillator Model of aromaticity index (HOMA) provided data of aromaticity evolution as a derivative of the bridge proton position. The AIM-based topological analysis confirmed the presence of the intramolecular hydrogen bonding. In addition, using the theory, we were able to provide a quantitative illustration of bonding transformation: from covalent to the hydrogen. On the basis of HOMA analysis, we showed that the aromaticity of both rings is dependent on the location of the bridge proton. Further, the computed results were compared with experimental data available. Finally, ESIPT occurrence was compared for the three investigated kinds of hydrogen bridges, and competition between two bridges in one molecule was studied.

  5. Molecular reorganization of selected quinoline derivatives in the ground and excited states—Investigations via static DFT

    International Nuclear Information System (INIS)

    Błaziak, Kacper; Panek, Jarosław J.; Jezierska, Aneta

    2015-01-01

    Quinoline derivatives are interesting objects to study internal reorganizations due to the observed excited-state-induced intramolecular proton transfer (ESIPT). Here, we report on computations for selected 12 quinoline derivatives possessing three kinds of intramolecular hydrogen bonds. Density functional theory was employed for the current investigations. The metric and electronic structure simulations were performed for the ground state and first excited singlet and triplet states. The computed potential energy profiles do not show a spontaneous proton transfer in the ground state, whereas excited states exhibit this phenomenon. Atoms in Molecules (AIM) theory was applied to study the nature of hydrogen bonding, whereas Harmonic Oscillator Model of aromaticity index (HOMA) provided data of aromaticity evolution as a derivative of the bridge proton position. The AIM-based topological analysis confirmed the presence of the intramolecular hydrogen bonding. In addition, using the theory, we were able to provide a quantitative illustration of bonding transformation: from covalent to the hydrogen. On the basis of HOMA analysis, we showed that the aromaticity of both rings is dependent on the location of the bridge proton. Further, the computed results were compared with experimental data available. Finally, ESIPT occurrence was compared for the three investigated kinds of hydrogen bridges, and competition between two bridges in one molecule was studied

  6. Analysis of solvent extracts from coal liquefaction in a flowing solvent reactor

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wen-Ying; Feng, Jie; Xie, Ke-Chang [Key Laboratory of Coal Science and Technology, Taiyuan University of Technology, Ministry of Education and Shanxi Province, No. 79 Yingze West Street, Taiyuan 030024 (China); Kandiyoti, R. [Department of Chemical Engineering and Chemical Technology, Imperial College, University of London, London SW7 2BY (United Kingdom)

    2004-10-15

    Point of Ayr coal has been extracted using three solvents, tetralin, quinoline and 1-methyl-2-pyrrolidinone (NMP) at two temperatures 350 and 450 C, corresponding approximately to before and after the onset of massive covalent bond scission by pyrolysis. The three solvents differ in solvent power and the ability to donate hydrogen atoms to stabilise free radicals produced by pyrolysis of the coal. The extracts were prepared in a flowing solvent reactor to minimise secondary thermal degradation of the primary extracts. Analysis of the pentane-insoluble fractions of the extracts was achieved by size exclusion chromatography, UV-fluorescence spectroscopy in NMP solvent and probe mass. With increasing extraction temperature, the ratio of the amount having big molecular weight to that having small molecular weight in tetralin extracts was increased; the tetralin extract yield increased from 12.8% to 75.9%; in quinoline, increasing extraction temperature did not have an effect on the molecular weight of products but there was a big increase in extract yield. The extracts in NMP showed the enhanced solvent extraction power at both temperatures, with a shift in the ratio of larger molecules to smaller molecules with increasing extraction temperature and with the highest conversion of Point of Ayr coal among these three solvents at both temperatures. Solvent adducts were detected in the tetralin and quinoline extracts by probe mass spectrometry; solvent products were formed from NMP at both temperatures.

  7. Self-assembly of star micelle into vesicle in solvents of variable quality: the star micelle retains its core-shell nanostructure in the vesicle.

    Science.gov (United States)

    Liu, Nijuan; He, Qun; Bu, Weifeng

    2015-03-03

    Intra- and intermolecular interactions of star polymers in dilute solutions are of fundamental importance for both theoretical interest and hierarchical self-assembly into functional nanostructures. Here, star micelles with a polystyrene corona and a small ionic core bearing platinum(II) complexes have been regarded as a model of star polymers to mimic their intra- and interstar interactions and self-assembled behaviors in solvents of weakening quality. In the chloroform/methanol mixture solvents, the star micelles can self-assemble to form vesicles, in which the star micelles shrink significantly and are homogeneously distributed on the vesicle surface. Unlike the morphological evolution of conventional amphiphiles from micellar to vesicular, during which the amphiphilic molecules are commonly reorganized, the star micelles still retain their core-shell nanostructures in the vesicles and the coronal chains of the star micelle between the ionic cores are fully interpenetrated.

  8. Nonlocal Poisson-Fermi model for ionic solvent.

    Science.gov (United States)

    Xie, Dexuan; Liu, Jinn-Liang; Eisenberg, Bob

    2016-07-01

    We propose a nonlocal Poisson-Fermi model for ionic solvent that includes ion size effects and polarization correlations among water molecules in the calculation of electrostatic potential. It includes the previous Poisson-Fermi models as special cases, and its solution is the convolution of a solution of the corresponding nonlocal Poisson dielectric model with a Yukawa-like kernel function. The Fermi distribution is shown to be a set of optimal ionic concentration functions in the sense of minimizing an electrostatic potential free energy. Numerical results are reported to show the difference between a Poisson-Fermi solution and a corresponding Poisson solution.

  9. Dynamical interactions between solute and solvent studied by nonlinear infrared spectroscopy

    International Nuclear Information System (INIS)

    Ohta, K.; Tominaga, K.

    2006-01-01

    Interactions between solute and solvent play an important role in chemical reaction dynamics and in many relaxation processes in condensed phases. Recently third-order nonlinear infrared (IR) spectroscopy has shown to be useful to investigate solute-solvent interaction and dynamics of the vibrational transition. These studies provide detailed information on the energy relaxation of the vibrationally excited state, and the time scale and the magnitude of the time correlation functions of the vibrational frequency fluctuations. In this work we have studied vibrational energy relaxation (VER) of solutions and molecular complexes by nonlinear IR spectroscopy, especially IR pump-probe method, to understand the microscopic interactions in liquids. (authors)

  10. Theoretical investigation of the weak interaction between graphene and alcohol solvents

    Science.gov (United States)

    Wang, Haining; Chen, Sian; Lu, Shanfu; Xiang, Yan

    2017-05-01

    The dispersion of graphene in five different alcohol solvents was investigated by evaluating the binding energy between graphene and alcohol molecules using DFT-D method. The calculation showed the most stable binding energy appeared at the distance of ∼3.5 Å between graphene and alcohol molecules and increased linearly as changing the alcohol from methanol to 1-pentanol. The weak interaction was further graphically illustrated using the reduced density gradient method. The theoretical study revealed alcohols with more carbon atoms could be a good starting point for screening suitable solvents for graphene dispersion.

  11. 29 CFR 1915.32 - Toxic cleaning solvents.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 7 2010-07-01 2010-07-01 false Toxic cleaning solvents. 1915.32 Section 1915.32 Labor... Preservation § 1915.32 Toxic cleaning solvents. (a) When toxic solvents are used, the employer shall employ one or more of the following measures to safeguard the health of employees exposed to these solvents. (1...

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

    Science.gov (United States)

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

  13. Manufacturing of ashless coal by using solvent de-ashing technology

    Energy Technology Data Exchange (ETDEWEB)

    Sang-Do Kim; Kwang-Jae Woo; Soon-Kwan Jeong; Young-Jun Rhim; Si-Huyn Lee [Korea Institute of Energy Research, Daejeon (Republic of Korea). Clean Energy Research Center

    2007-07-01

    Maintenance of a high oil value has an influence to energy crisis and national security in South Korea which does not have energy resources. The coals which have characterized by the abundant reserves and the inexpensive price can be said to be the alternative energy source. Hyper-coal process, which has been developed in Japan since 1999, is a new effective process to produce a clean coal by using the solvent de-ashing technology. When coal is extracted with organic solvent, only the organic portion of coal is dissolved in the solvents. That is possible to apply the low rank coal. This study was performed to produce ashless coal by using the solvent de-ashing technology. The experiment was conducted in the batch(or semi-batch) type reactor with two solvents such as NMP(N-methyl-2-pyrrolidinone) and 1-MN(1-methylnaphthalene) and various coals such as Kideko coal, Roto South coal and Sunhwa coal at 200-400{sup o}C. As a result of the test, extraction yield of coals was more than 60% on daf. Ash concentration which contains the extracted coal was 0.11-1.0wt%. The heat value was increased from 5,400 kcal/kg to 7,920 kcal/kg in the Roto South coal. 10 refs., 4 figs., 2 tabs.

  14. Free Magnetic Energy in Solar Active Regions above the Minimum-Energy Relaxed State

    OpenAIRE

    Regnier, S.; Priest, E. R.

    2008-01-01

    To understand the physics of solar flares, including the local reorganization of the magnetic field and the acceleration of energetic particles, we have first to estimate the free magnetic energy available for such phenomena, which can be converted into kinetic and thermal energy. The free magnetic energy is the excess energy of a magnetic configuration compared to the minimum-energy state, which is a linear force-free field if the magnetic helicity of the configuration is conserved. We inves...

  15. New Polymeric Membranes for Organic Solvent Nanofiltration

    KAUST Repository

    Aburabie, Jamaliah

    2017-05-01

    The focus of this dissertation was the development, synthesis and modification of polymers for the preparation of membranes for organic solvent nanofiltration. High chemical stability in a wide range of solvents was a key requirement. Membranes prepared from synthesized polymers as well as from commercial polymers were designed and chemically modified to reach OSN requirements. A solvent stable thin-film composite (TFC) membrane is reported, which is fabricated on crosslinked polythiosemicarbazide (PTSC) as substrate. The membranes exhibited high fluxes towards solvents like THF, DMF and DMSO ranging around 20 L/m2 h at 5 bar with a MWCO of around 1000 g/mol. Ultrafiltration PTSC membranes were prepared by non-solvent induced phase separation and crosslinked with GPTMS. The crosslinking reaction was responsible for the formation of an inorganic-type-network that tuned the membrane pore size. The crosslinked membranes acquired high solvent stability in DMSO, DMF and THF with a MWCO above 1300 g/mol. Reaction Induced Phase Separation (RIPS) was introduced as a new method for the preparation of skinned asymmetric membranes. These membranes have two distinctive layers with different morphologies both from the same polymer. The top dense layer is composed of chemically crosslinked polymer chains while the bottom layer is a porous structure formed by non-crosslinked polymer chains. Such membranes were tested for vitamin B12 in solvents after either crosslinking the support or dissolving the support and fixing the freestanding membrane on alumina. Pebax® 1657 was utilized for the preparation of composite membranes by simple coating. Porous PAN membranes were coated with Pebax® 1657 which was then crosslinked using TDI. Crosslinked Pebax® membranes show high stability towards ethanol, propanol and acetone. The membranes were also stable in DMF once crosslinked PAN supports were used. Sodium alginate polymer was investigated for the preparation of thin film composite

  16. Experimental measurement and modelling of solubility of inosine-5′-monophosphate disodium in pure and mixed solvents

    International Nuclear Information System (INIS)

    Zou, Fengxia; Zhuang, Wei; Wu, Jinglan; Zhou, Jingwei; Liu, Qiyan; Chen, Yong; Xie, Jingjing; Zhu, Chenjie; Guo, Ting; Ying, Hanjie

    2014-01-01

    Graphical abstract: - Highlights: • Solubility of 5′-IMPNa 2 in various solvents was studied for the first time. • The solubility could be ranked as follows: water > methanol > ethanol > acetone. • Modified Apelblat equation gave the best correlating results. • Mixing Gibbs free energies, enthalpies, and entropies were predicted. • Solubility data and equations can optimise the crystallization conditions. - Abstract: The solubility of biological chemicals in solvents provide important fundamental data and is generally considered as an essential factor in the design of crystallization processes. The equilibrium solubility data of inosine-5′-monophosphate disodium (5′-IMPNa 2 ) in water, methanol, ethanol, acetone, as well as in the solvent mixtures (methanol + water, ethanol + water, acetone + water), were measured by an isothermal method at temperatures ranging from (293.15 to 313.15) K. The measured data in pure and mixed solvents were then modelled using the modified Apelblat equation, van’t Hoff equation, λh equation, ideal model and the Wilson model. The modified Apelblat equation showed the best modelling results, and it was therefore used to predict the mixing Gibbs free energies, enthalpies, and entropies of 5′-IMPNa 2 in pure and binary solvents. The positive values of the calculated partial molar Gibbs free energies indicated the variations in the solubility trends of 5′-IMPNa 2 . Water and ethanol (in the binary mixture with water) were found to be the most effective solvent and anti-solvent, respectively

  17. Measurement and correlation of solubility of cefmenoxime hydrochloride in pure solvents and binary solvent mixtures

    International Nuclear Information System (INIS)

    Wang, Jinxiu; Xie, Chuang; Yin, Qiuxiang; Tao, Linggang; Lv, Jun; Wang, Yongli; He, Fang; Hao, Hongxun

    2016-01-01

    Highlights: • Solubility of cefmenoxime hydrochloride in pure and binary solvents was determined. • The experimental solubility data were correlated by thermodynamic models. • A model was employed to calculate the melting temperature of cefmenoxime hydrochloride. • Mixing thermodynamic properties of cefmenoxime hydrochloride were calculated. - Abstract: The solubility of cefmenoxime hydrochloride in pure solvents and binary solvent mixtures was measured at temperatures from (283.15 to 313.15) K by using the UV spectroscopic method. The results reveal that the solubility of cefmenoxime hydrochloride increases with increasing temperature in all solvent selected. The solubility of cefmenoxime hydrochloride reaches its maximum value when the mole fraction of isopropanol is 0.2 in the binary solvent mixtures of (isopropanol + water). The modified Apelblat equation and the NRTL model were successfully used to correlate the experimental solubility in pure solvents while the modified Apelblat equation, the CNIBS/R–K model and the Jouyban–Acree model were applied to correlate the solubility in binary solvent mixtures. In addition, the mixing thermodynamic properties of cefmenoxime hydrochloride in different solvents were also calculated based on the NRTL model and experimental solubility data.

  18. Solvent/non-solvent sintering: a novel route to create porous microsphere scaffolds for tissue regeneration.

    Science.gov (United States)

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

    2008-08-01

    Solvent/non-solvent sintering creates porous polymeric microsphere scaffolds suitable for tissue engineering purposes with control over the resulting porosity, average pore diameter, and mechanical properties. Five different biodegradable biocompatible polyphosphazenes exhibiting glass transition temperatures from -8 to 41 degrees C and poly (lactide-co-glycolide), (PLAGA) a degradable polymer used in a number of biomedical settings, were examined to study the versatility of the process and benchmark the process to heat sintering. Parameters such as: solvent/non-solvent sintering solution composition and submersion time effect the sintering process. PLAGA microsphere scaffolds fabricated with solvent/non-solvent sintering exhibited an interconnected porosity and pore size of 31.9% and 179.1 mum, respectively which was analogous to that of conventional heat sintered PLAGA microsphere scaffolds. Biodegradable polyphosphazene microsphere scaffolds exhibited a maximum interconnected porosity of 37.6% and a maximum compressive modulus of 94.3 MPa. Solvent/non-solvent sintering is an effective strategy for sintering polymeric microspheres, with a broad spectrum of glass transition temperatures, under ambient conditions making it an excellent fabrication route for developing tissue engineering scaffolds and drug delivery vehicles. (c) 2007 Wiley Periodicals, Inc.

  19. Solvent extraction studies in miniature centrifugal contactors

    International Nuclear Information System (INIS)

    Siczek, A.A.; Meisenhelder, J.H.; Bernstein, G.J.; Steindler, M.J.

    1980-01-01

    A miniature short-residence-time centrifugal solvent extraction contactor and an eight-stage laboratory minibank of centrifugal contactors were used for testing the possibility of utilizing kinetic effects for improving the separation of uranium from ruthenium and zirconium in the Purex process. Results of these tests showed that a small improvement found in ruthenium and zirconium decontamination in single-stage solvent extraction tests was lost in the multistage extraction tests- in fact, the extent of saturation of the solvent by uranium, rather than the stage residence time, controlled the extent of ruthenium and zirconium extraction. In applying the centrifugal contactor to the Purex process, the primary advantages would be less radiolytic damage to the solvent, high troughput, reduced solvent inventory, and rapid attainment of steady-state operating conditions. The multistage mini contactor was also tested to determine the suitability of short-residence-time contactors for use with the Civex and Thorex processes and was found to be compatible with the requirements of these processes. (orig.) [de

  20. 40 CFR Table 5 to Subpart Qqqq of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Default Organic HAP Mass Fraction for... HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the.... Solvent/solvent blend CAS. No. Average organic HAP mass fraction Typical organic HAP, percent by mass 1...

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

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Default Organic HAP Mass Fraction for... Organic HAP Mass Fraction for Solvents and Solvent Blends You may use the mass fraction values in the... Solvent/solvent blend CAS. No. Averageorganic HAP mass fraction Typical organic HAP, percent by mass 1...

  2. 40 CFR Table 4 to Subpart Oooo of... - Default Organic HAP Mass Fraction for Solvents and Solvent Blends

    Science.gov (United States)

    2010-07-01

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

  3. Green solvents and technologies for oil extraction from oilseeds

    OpenAIRE

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

    2017-01-01

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

  4. Reorganization of finger coordination patterns through motor exploration in individuals after stroke.

    Science.gov (United States)

    Ranganathan, Rajiv

    2017-09-11

    Impairment of hand and finger function after stroke is common and affects the ability to perform activities of daily living. Even though many of these coordination deficits such as finger individuation have been well characterized, it is critical to understand how stroke survivors learn to explore and reorganize their finger coordination patterns for optimizing rehabilitation. In this study, I examine the use of a body-machine interface to assess how participants explore their movement repertoire, and how this changes with continued practice. Ten participants with chronic stroke wore a data glove and the finger joint angles were mapped on to the position of a cursor on a screen. The task of the participants was to move the cursor back and forth between two specified targets on a screen. Critically, the map between the finger movements and cursor motion was altered so that participants sometimes had to generate coordination patterns that required finger individuation. There were two phases to the experiment - an initial assessment phase on day 1, followed by a learning phase (days 2-5) where participants trained to reorganize their coordination patterns. Participants showed difficulty in performing tasks which had maps that required finger individuation, and the degree to which they explored their movement repertoire was directly related to clinical tests of hand function. However, over four sessions of practice, participants were able to learn to reorganize their finger movement coordination pattern and improve their performance. Moreover, training also resulted in improvements in movement repertoire outside of the context of the specific task during free exploration. Stroke survivors show deficits in movement repertoire in their paretic hand, but facilitating movement exploration during training can increase the movement repertoire. This suggests that exploration may be an important element of rehabilitation to regain optimal function.

  5. Long-term reorganization of structural brain networks in a rabbit model of intrauterine growth restriction.

    Science.gov (United States)

    Batalle, Dafnis; Muñoz-Moreno, Emma; Arbat-Plana, Ariadna; Illa, Miriam; Figueras, Francesc; Eixarch, Elisenda; Gratacos, Eduard

    2014-10-15

    Characterization of brain changes produced by intrauterine growth restriction (IUGR) is among the main challenges of modern fetal medicine and pediatrics. This condition affects 5-10% of all pregnancies and is associated with a wide range of neurodevelopmental disorders. Better understanding of the brain reorganization produced by IUGR opens a window of opportunity to find potential imaging biomarkers in order to identify the infants with a high risk of having neurodevelopmental problems and apply therapies to improve their outcomes. Structural brain networks obtained from diffusion magnetic resonance imaging (MRI) is a promising tool to study brain reorganization and to be used as a biomarker of neurodevelopmental alterations. In the present study this technique is applied to a rabbit animal model of IUGR, which presents some advantages including a controlled environment and the possibility to obtain high quality MRI with long acquisition times. Using a Q-Ball diffusion model, and a previously published rabbit brain MRI atlas, structural brain networks of 15 IUGR and 14 control rabbits at 70 days of age (equivalent to pre-adolescence human age) were obtained. The analysis of graph theory features showed a decreased network infrastructure (degree and binary global efficiency) associated with IUGR condition and a set of generalized fractional anisotropy (GFA) weighted measures associated with abnormal neurobehavior. Interestingly, when assessing the brain network organization independently of network infrastructure by means of normalized networks, IUGR showed increased global and local efficiencies. We hypothesize that this effect could reflect a compensatory response to reduced infrastructure in IUGR. These results present new evidence on the long-term persistence of the brain reorganization produced by IUGR that could underlie behavioral and developmental alterations previously described. The described changes in network organization have the potential to be used

  6. Brain Injury-Induced Synaptic Reorganization in Hilar Inhibitory Neurons Is Differentially Suppressed by Rapamycin.

    Science.gov (United States)

    Butler, Corwin R; Boychuk, Jeffery A; Smith, Bret N

    2017-01-01

    Following traumatic brain injury (TBI), treatment with rapamycin suppresses mammalian (mechanistic) target of rapamycin (mTOR) activity and specific components of hippocampal synaptic reorganization associated with altered cortical excitability and seizure susceptibility. Reemergence of seizures after cessation of rapamycin treatment suggests, however, an incomplete suppression of epileptogenesis. Hilar inhibitory interneurons regulate dentate granule cell (DGC) activity, and de novo synaptic input from both DGCs and CA3 pyramidal cells after TBI increases their excitability but effects of rapamycin treatment on the injury-induced plasticity of interneurons is only partially described. Using transgenic mice in which enhanced green fluorescent protein (eGFP) is expressed in the somatostatinergic subset of hilar inhibitory interneurons, we tested the effect of daily systemic rapamycin treatment (3 mg/kg) on the excitability of hilar inhibitory interneurons after controlled cortical impact (CCI)-induced focal brain injury. Rapamycin treatment reduced, but did not normalize, the injury-induced increase in excitability of surviving eGFP+ hilar interneurons. The injury-induced increase in response to selective glutamate photostimulation of DGCs was reduced to normal levels after mTOR inhibition, but the postinjury increase in synaptic excitation arising from CA3 pyramidal cell activity was unaffected by rapamycin treatment. The incomplete suppression of synaptic reorganization in inhibitory circuits after brain injury could contribute to hippocampal hyperexcitability and the eventual reemergence of the epileptogenic process upon cessation of mTOR inhibition. Further, the cell-selective effect of mTOR inhibition on synaptic reorganization after CCI suggests possible mechanisms by which rapamycin treatment modifies epileptogenesis in some models but not others.

  7. A BCM theory of meta-plasticity for online self-reorganizing fuzzy-associative learning.

    Science.gov (United States)

    Tan, Javan; Quek, Chai

    2010-06-01

    Self-organizing neurofuzzy approaches have matured in their online learning of fuzzy-associative structures under time-invariant conditions. To maximize their operative value for online reasoning, these self-sustaining mechanisms must also be able to reorganize fuzzy-associative knowledge in real-time dynamic environments. Hence, it is critical to recognize that they would require self-reorganizational skills to rebuild fluid associative structures when their existing organizations fail to respond well to changing circumstances. In this light, while Hebbian theory (Hebb, 1949) is the basic computational framework for associative learning, it is less attractive for time-variant online learning because it suffers from stability limitations that impedes unlearning. Instead, this paper adopts the Bienenstock-Cooper-Munro (BCM) theory of neurological learning via meta-plasticity principles (Bienenstock et al., 1982) that provides for both online associative and dissociative learning. For almost three decades, BCM theory has been shown to effectively brace physiological evidence of synaptic potentiation (association) and depression (dissociation) into a sound mathematical framework for computational learning. This paper proposes an interpretation of the BCM theory of meta-plasticity for an online self-reorganizing fuzzy-associative learning system to realize online-reasoning capabilities. Experimental findings are twofold: 1) the analysis using S&P-500 stock index illustrated that the self-reorganizing approach could follow the trajectory shifts in the time-variant S&P-500 index for about 60 years, and 2) the benchmark profiles showed that the fuzzy-associative approach yielded comparable results with other fuzzy-precision models with similar online objectives.

  8. Reorganization in Secondary Somatosensory Cortex in Chronic Low Back Pain Patients.

    Science.gov (United States)

    Hotz-Boendermaker, Sabina; Marcar, Valentine L; Meier, Michael L; Boendermaker, Bart; Humphreys, Barry K

    2016-06-01

    A cross-sectional comparative study between chronic low back pain (CLBP) patients and healthy control subjects. The aim of this study was to investigate reorganization in the sensory cortex by comparing cortical activity due to mechanosensory stimulation of the lumbar spine in CLBP patients versus a control group by using functional magnetic resonance imaging (fMRI). LBP is now the number 1 condition across the world in terms of years living with a disability. There is growing evidence that maladaptive changes in the processing of sensory input by the central nervous system are central to understanding chronic (back) pain. Nonpainful, posterior-anterior (PA) movement pressure was applied manually to lumbar vertebrae at L1, L3, and L5 in 13 healthy subjects and 13 CLBP patients. The manual pressure (30 N) was monitored and controlled using sensors. A randomized stimulation protocol was used consisting of 51 pressure stimuli of 5 seconds duration. fMRI data analysis was performed for the group activation within the primary and secondary sensory cortices (S1 and S2, respectively) and the representation of the individual vertebrae was extracted and statistically analyzed. Nonpainful PA pressure revealed no cortical reorganization in S1. In contrast, the extent of S2 activation in the CLBP group was significantly reduced in both hemispheres. In the control group, a somatotopy was identified for the lumbar vertebrae between L1 and L3, respectively, and L5 in S2 of the right hemisphere. Most importantly, a blurring of the somatotopic representation of the lumbar spine in S2 was observed in the patient group. Together, these maladaptive changes suggest a reorganization of higher-order processing for sensory information in CLBP patients that might have implications for a decreased sensory acuity, also related to body perception and subsequent altered functioning of the lumbar spine. 2.

  9. Identifying functional reorganization of spelling networks: an individual peak probability comparison approach

    Science.gov (United States)

    Purcell, Jeremy J.; Rapp, Brenda

    2013-01-01

    Previous research has shown that damage to the neural substrates of orthographic processing can lead to functional reorganization during reading (Tsapkini et al., 2011); in this research we ask if the same is true for spelling. To examine the functional reorganization of spelling networks we present a novel three-stage Individual Peak Probability Comparison (IPPC) analysis approach for comparing the activation patterns obtained during fMRI of spelling in a single brain-damaged individual with dysgraphia to those obtained in a set of non-impaired control participants. The first analysis stage characterizes the convergence in activations across non-impaired control participants by applying a technique typically used for characterizing activations across studies: Activation Likelihood Estimate (ALE) (Turkeltaub et al., 2002). This method was used to identify locations that have a high likelihood of yielding activation peaks in the non-impaired participants. The second stage provides a characterization of the degree to which the brain-damaged individual's activations correspond to the group pattern identified in Stage 1. This involves performing a Mahalanobis distance statistics analysis (Tsapkini et al., 2011) that compares each of a control group's peak activation locations to the nearest peak generated by the brain-damaged individual. The third stage evaluates the extent to which the brain-damaged individual's peaks are atypical relative to the range of individual variation among the control participants. This IPPC analysis allows for a quantifiable, statistically sound method for comparing an individual's activation pattern to the patterns observed in a control group and, thus, provides a valuable tool for identifying functional reorganization in a brain-damaged individual with impaired spelling. Furthermore, this approach can be applied more generally to compare any individual's activation pattern with that of a set of other individuals. PMID:24399981

  10. Drainage reorganization and divide migration induced by the excavation of the Ebro basin (NE Spain)

    Science.gov (United States)

    Vacherat, Arnaud; Bonnet, Stéphane; Mouthereau, Frédéric

    2018-05-01

    Intracontinental endorheic basins are key elements of source-to-sink systems as they preserve sediments eroded from the surrounding catchments. Drainage reorganization in such a basin in response to changing boundary conditions has strong implications on the sediment routing system and on landscape evolution. The Ebro and Duero basins represent two foreland basins, which developed in response to the growth of surrounding compressional orogens, the Pyrenees and the Cantabrian mountains to the north, the Iberian Ranges to the south, and the Catalan Coastal Range to the east. They were once connected as endorheic basins in the early Oligocene. By the end of the Miocene, new post-orogenic conditions led to the current setting in which the Ebro and Duero basins are flowing in opposite directions, towards the Mediterranean Sea and the Atlantic Ocean. Although these two hydrographic basins recorded a similar history, they are characterized by very different morphologic features. The Ebro basin is highly excavated, whereas relicts of the endorheic stage are very well preserved in the Duero basin. The contrasting morphological preservation of the endorheic stage represents an ideal natural laboratory to study the drivers (internal and/or external) of post-orogenic drainage divide mobility, drainage network, and landscape evolution. To that aim, we use field and map observations and we apply the χ analysis of river profiles along the divide between the Ebro and Duero drainage basins. We show here that the contrasting excavation of the Ebro and Duero basins drives a reorganization of their drainage network through a series of captures, which resulted in the southwestward migration of their main drainage divide. Fluvial captures have a strong impact on drainage areas, fluxes, and their respective incision capacity. We conclude that drainage reorganization driven by the capture of the Duero basin rivers by the Ebro drainage system explains the first-order preservation of

  11. Emergent reorganization of an evolving experimental landscape under changing climatic forcing

    Science.gov (United States)

    Singh, A.; Tejedor, A.; Zaliapin, I. V.; Reinhardt, L.; Foufoula-Georgiou, E.

    2014-12-01

    Understanding landscape re-organization under changing climatic forcing is fundamental to advancing our understanding of geomorphic transport laws under transient conditions, developing predictive models of landscape response to external perturbations, and interpreting the stratigraphic record for past climates by incorporating possible regime shifts. Real landscape observations for long-term analysis are limited and to this end a high resolution controlled laboratory experiment was conducted at the St. Anthony Falls laboratory at the University of Minnesota. Elevation data were collected at temporal resolution of 5 mins and spatial resolution of 0.5 mm as the landscape approached steady state (for a constant uplift and precipitation rate) and in the transient state (under the same uplift and 5x precipitation). The results reveal rapid topographic re-organization under a five-fold precipitation increase with the fluvial regime expanding into previously debris dominated regime, accelerated erosion happening at hillslope scales, and rivers shifting from an erosion-limited to a transport-limited regime. By studying the space-time structure of the individual erosional and depositional events in terms of their size, location, clustering, and total volume we report complex space-time patterns of change which are scale-dependent and bounded by the river network topology. At the same time, the river network topology itself adjusts at smaller scales, with new channels added to accommodate increased hillslope erosional transport, further adjusting the landscape. Some new ideas related to landscape variability and entropy evolution at different scales during steady and transient states and the possibility of analyzing the self-organization with Optimal Mass Transport (OMT) metrics to infer possible underlying "optimality" principles governing the re-organization will also be presented.

  12. Patterns of structural reorganization of the corticospinal tract in children with Sturge-Weber syndrome.

    Science.gov (United States)

    Kamson, David O; Juhász, Csaba; Shin, Joseph; Behen, Michael E; Guy, William C; Chugani, Harry T; Jeong, Jeong-Won

    2014-04-01

    Reorganization of the corticospinal tract after early damage can limit motor deficit. In this study, we explored patterns of structural corticospinal tract reorganization in children with Sturge-Weber syndrome. Five children (age 1.5-7 years) with motor deficit resulting from unilateral Sturge-Weber syndrome were studied prospectively and longitudinally (1-2 years follow-up). Corticospinal tract segments belonging to hand and leg movements were separated and their volume was measured by diffusion tensor imaging tractography using a recently validated method. Corticospinal tract segmental volumes were normalized and compared between the Sturge-Weber syndrome children and age-matched healthy controls. Volume changes during follow-up were also compared with clinical motor symptoms. In the Sturge-Weber syndrome children, hand-related (but not leg-related) corticospinal tract volumes were consistently decreased in the affected cerebral hemisphere at baseline. At follow-up, two distinct patterns of hand corticospinal tract volume changes emerged. (1) Two children with extensive frontal lobe damage showed a corticospinal tract volume decrease in the lesional hemisphere and a concomitant increase in the nonlesional (contralateral) hemisphere. These children developed good hand grasp but no fine motor skills. (2) The three other children, with relative sparing of the frontal lobe, showed an interval increase of the normalized hand corticospinal tract volume in the affected hemisphere; these children showed no gross motor deficit at follow-up. Diffusion tensor imaging tractography can detect differential abnormalities in the hand corticospinal tract segment both ipsi- and contralateral to the lesion. Interval increase in the corticospinal tract hand segment suggests structural reorganization, whose pattern may determine clinical motor outcome and could guide strategies for early motor intervention. Copyright © 2014 Elsevier Inc. All rights reserved.

  13. Patterns of structural reorganization of the corticospinal tract in children with Sturge-Weber syndrome

    Science.gov (United States)

    Kamson, David O.; Juhász, Csaba; Shin, Joseph; Behen, Michael E.; Guy, William C.; Chugani, Harry T.; Jeong, Jeong-Won

    2014-01-01

    Background Reorganization of the corticospinal tract (CST) after early damage can limit motor deficit. In this study, we explored patterns of structural CST reorganization in children with Sturge-Weber syndrome. Methods Five children (age 1.5-7 years) with motor deficit due to unilateral Sturge-Weber syndrome were studied prospectively and longitudinally (1-2 years follow-up). CST segments belonging to hand and leg movements were separated, and their volume was measured by diffusion tensor imaging (DTI) tractography using a recently validated method. CST segmental volumes were normalized and compared between the SWS children and age-matched healthy controls. Volume changes during follow-up were also compared to clinical motor symptoms. Results In the SWS children, hand-related (but not leg-related) CST volumes were consistently decreased in the affected cerebral hemisphere at baseline. At follow-up, two distinct patterns of hand CST volume changes emerged: (i) Two children with extensive frontal lobe damage showed a CST volume decrease in the lesional hemisphere and a concomitant increase in the non-lesional (contralateral) hemisphere. These children developed good hand grasp but no fine motor skills. (ii) The three other children, with relative sparing of the frontal lobe, showed an interval increase of the normalized hand CST volume in the affected hemisphere; these children showed no gross motor deficit at follow-up. Conclusions DTI tractography can detect differential abnormalities in the hand CST segment both ipsi- and contralateral to the lesion. Interval increase in the CST hand segment suggests structural reorganization, whose pattern may determine clinical motor outcome and could guide strategies for early motor intervention. PMID:24507695

  14. Physical organogels: mechanism and kinetics of evaporation of the solvents entrapped within network scaffolding

    International Nuclear Information System (INIS)

    Markovic, Nov; Dutta, Naba K.

    2005-01-01

    A series of hydrocarbon gels (based on leaded petrol and decalin) using physically crosslinked networks have been prepared using Al-salt of fatty acid as the physical gelling agent. The effects of gel network scaffolding on the mechanism and kinetics of evaporation of the solvents from the gels were investigated using conventional, isothermal and modulated thermogravimetric analysis. It has been clearly observed that the evaporation of solvent from gels followed a complex evaporation pattern compared to the pure solvent. It appears that with increase in network scaffolding the maximum rate of evaporation of the solvent decreases and its distribution become broader. The activation energy of evaporation for these solvents was found not to be dramatically dependent on the concentration of the gelator and tightness of the network scaffolding. Amongst different methods employed, isothermal measurements provided reliable information about the mechanism of evaporation. Modulated thermogravimetric analysis proved to be an efficient method to achieve kinetic parameters of evaporation from a single dynamic experiment. Scanning electron microscopy was used to probe for both dry gelator and gel network after evaporation of the solvents for evaluation of their surface morphology

  15. Conceptual study of hydrogen donor solvent in the NEDOL coal liquefaction process

    Energy Technology Data Exchange (ETDEWEB)

    Kouzu, M.; Onozaki, M.; Oi, S. [Mitsui SRC Co Ltd, Tokyo (Japan)

    2002-03-01

    A 150 ton/day coal liquefaction pilot plant (PP) of the NEDOL process, supported by New Energy and Industrial Technology Development Organization (NEDO), was operated successfully for a total of 269 days at Kashima, Japan. With a great number of data obtained through the operation, the design procedure for the NEDOL process was studied. Middle and heavy oils from the coal employed were recycled as a hydrogen-donor solvent after hydrotreatment over Ni Mo/gamma-Al2O{sub 3} in a trickle bed reactor. The hydrogen donating ability of the solvent was high enough to obtain higher oil yield (50-58 wt%) at the aromaticity of ca. 0.45. Life expectancy of solvent hydrotreatment catalyst, requisite to the hydrotreater design, was estimated under PP operating conditions. In addition, physical properties of the solvent required for process design were determined, and hydrodynamics in the liquefaction bubble column reactors were examined. Taking the obtained hydrodynamics and thermal behavior into consideration, a design procedure of the liquefaction bubble column reactors was establsihed using a process simulator (CARD) validated by the product yields of PP. The simulation including distillation and solvent hydrotreatment showed that the content of heavy oil fraction (b.p. 350 - 538{degree} C) in the solvent was a determinant factor in the design of a large scale plant based on the NEDOL process.

  16. Comparative Study on Electronic, Emission, Spontaneous Property of Porous Silicon in Different Solvents

    Directory of Open Access Journals (Sweden)

    M. Naziruddin Khan

    2014-01-01

    Full Text Available Luminescent porous silicon (Psi fabricated by simple chemical etching technique in different organic solvents was studied. By quantifying the silicon wafer piece, optical properties of the Psi in solutions were investigated. Observation shows that no photoluminescence light of Psi in all solvents is emitted. Morphology of Psi in different solvents indicates that the structure and distribution of Psi are differently observed. Particles are uniformly dispersive with the sizes around more or less 5–8 nm. The crystallographic plane and high crystalline nature of Psi is observed by selected area diffraction (SED and XRD. Electronic properties of Psi in solutions are influenced due to the variation of quantity of wafer and nature of solvent. Influence in band gaps of Psi calculated by Tauc’s method is obtained due to change of absorption edge of Psi in solvents. PL intensities are observed to be depending on quantity of silicon wafer, etched cross-section area on wafer surface. Effects on emission peaks and bands of Psi under temperature annealing are observed. The spontaneous signals of Psi measured under high power Pico second laser 355 nm source are significant, influenced by the nature of solvent, pumped energy, and quantity of Si wafer piece used in etching process.

  17. Measurements and correlation of viscosities and conductivities for the mixtures of ethylammonium nitrate with organic solvents

    International Nuclear Information System (INIS)

    Litaeim, Yousra; Zarrougi, Ramzi; Dhahbi, Mahmoud

    2009-01-01

    Room temperature ionic liquids (IL) as a new class of organic molten salts have been considered as an alternative of traditional organic solvents (OS). The physico-chemical transport properties of mixtures IL/OS were investigated and described by ion-ion, ion solvent and solvent-solvent interactions. Ethylammonium nitrate (EAN) was studied in presence of two types of organic solvents: the dimethyl carbonate (DMC) and the formamide (FA). The variation of the viscosity with salt concentration and temperature shows that EAN ions behave as a structure breaker for the DMC. However, no effect was recorded in the case of FA. Concentrated electrolyte solutions behave as very structured media and checked a theory of pseudo-lattice. The existence of a conductivity maximum indicates two competing effects; the increasing number of charge carriers and the higher viscosity of the electrolyte as the salt concentration was raised. The use of the Walden product to investigate ionic interactions of EAN with both solvents was discussed. A study of the effect of temperature on the conductivity and viscosity reveals that both systems (EAN/DMC and EAN/FA) obey an Arrhenius low. The activation energies for the tow transport process (Ea,L and Ea,h) as a function of the salt concentration were evaluated.

  18. Support vector machine classification and characterization of age-related reorganization of functional brain networks.

    Science.gov (United States)

    Meier, Timothy B; Desphande, Alok S; Vergun, Svyatoslav; Nair, Veena A; Song, Jie; Biswal, Bharat B; Meyerand, Mary E; Birn, Rasmus M; Prabhakaran, Vivek

    2012-03-01

    Most of what is known about the reorganization of functional brain networks that accompanies normal aging is based on neuroimaging studies in which participants perform specific tasks. In these studies, reorganization is defined by the differences in task activation between young and old adults. However, task activation differences could be the result of differences in task performance, strategy, or motivation, and not necessarily reflect reorganization. Resting-state fMRI provides a method of investigating functional brain networks without such confounds. Here, a support vector machine (SVM) classifier was used in an attempt to differentiate older adults from younger adults based on their resting-state functional connectivity. In addition, the information used by the SVM was investigated to see what functional connections best differentiated younger adult brains from older adult brains. Three separate resting-state scans from 26 younger adults (18-35 yrs) and 26 older adults (55-85) were obtained from the International Consortium for Brain Mapping (ICBM) dataset made publically available in the 1000 Functional Connectomes project www.nitrc.org/projects/fcon_1000. 100 seed-regions from four functional networks with 5mm(3) radius were defined based on a recent study using machine learning classifiers on adolescent brains. Time-series for every seed-region were averaged and three matrices of z-transformed correlation coefficients were created for each subject corresponding to each individual's three resting-state scans. SVM was then applied using leave-one-out cross-validation. The SVM classifier was 84% accurate in classifying older and younger adult brains. The majority of the connections used by the classifier to distinguish subjects by age came from seed-regions belonging to the sensorimotor and cingulo-opercular networks. These results suggest that age-related decreases in positive correlations within the cingulo-opercular and default networks, and decreases in

  19. Quick profile-reorganization driven by helical field perturbation for suppressing tokamak major disruptions

    International Nuclear Information System (INIS)

    Yamazaki, K.; Kawahata, K.; Ando, R.

    1986-09-01

    Disruptive behavior of magnetic field configuration leading to tokamak major disruption is found to be controlled by a mild ''mini-disruption'' which is induced by the compact external modular multipole-field coils with m = 3/n = 2 dominant helical field component in the JIPP T-IIU tokamak. This mini-disruption ergodizes the m = 2/n = 1 magnetic island quickly but mildly and then prevents the profile of electron temperature from flattening. This quick profile-reorganization is effective to avoid the two-step disruption (pre- and major disuptions) responsible for the chatastrophic current termination. (author)

  20. Effect of a reorganized after-hours family practice service on frequent attenders

    DEFF Research Database (Denmark)

    Vedsted, Peter; Olesen, Frede

    1999-01-01

    of this reorganization on the use of services by frequent attenders (FAs). METHODS: From 1990 to 1994, methods of contact and annual costs per attender were analyzed in an ecological time-trend study based on aggregated administrative data collected from the database of the Public Health Insurance, Aarhus County......, Denmark (600,000 inhabitants). The study only included attenders ages 18 and over. FAs were defined as the group that, within each calendar year (12 months), had 4 or more contacts with the after-hours family practice service. RESULTS: FAs made up 9.5% of the attenders and accounted for more than 40...

  1. A proposal for the reorganization of citizenship education via the implementation of the dramatic metod

    Directory of Open Access Journals (Sweden)

    Gökçen Özbek

    2014-04-01

    Full Text Available The purpose of this paper is to establish the relationship between citizenship education and drama method. In this study, I propose a reorganization of the citizenship and/or democracy education by building in a component of drama method. To this end, citizenship education, as well as its applications in Europe and in Turkey, will be explained in order to provide a framework for the concept. Following this, the dramatic method and the connections between drama and citizenship education will be presented for the purpose of demonstrating the possible impact of drama on civic education.

  2. Alternative Solvents through Green Chemistry Project

    Science.gov (United States)

    Hintze, Paul E.; Quinn, Jacqueline

    2014-01-01

    Components in the aerospace industry must perform with accuracy and precision under extreme conditions, and surface contamination can be detrimental to the desired performance, especially in cases when the components come into contact with strong oxidizers such as liquid oxygen. Therefore, precision cleaning is an important part of a components preparation prior to utilization in aerospace applications. Current cleaning technologies employ a variety of cleaning agents, many of which are halogenated solvents that are either toxic or cause environmental damage. Thus, this project seeks to identify alternative precision cleaning solvents and technologies, including use of less harmful cleaning solvents, ultrasonic and megasonic agitation, low-pressure plasma cleaning techniques, and supercritical carbon dioxide extraction. Please review all data content found in the Public Data tab located at: https:techport.nasa.govview11697public

  3. Hazardous Solvent Substitution Data System tutorial

    International Nuclear Information System (INIS)

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

    1993-07-01

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

  4. NMR spectroscopy using liquid crystal solvents

    CERN Document Server

    Emsley, JW

    2013-01-01

    NMR Spectroscopy using Liquid Crystal Solvents covers the importance of using a liquid crystal solvent in NMR to derive nuclear dipolar spin-spin coupling constants. This book is composed of ten chapters, and begins with a brief description of the features and benefits of liquid crystal in NMR spectroscopic analysis. The succeeding chapters deal with the mode of operation of nuclear spin Hamiltonian for partially oriented molecules and the analysis of NMR spectra of partially oriented molecules, as well as the determination of rigid molecule structure. These topics are followed by discussions

  5. Catalog solvent extraction: anticipate process adjustments

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  6. Microbial process for the preparation of acetic acid as well as solvent for its extraction from the fermentation broth

    Science.gov (United States)

    Gaddy, James L.; Clausen, Edgar C.; Ko, Ching-Whan; Wade, Leslie E.; Wikstrom, Carl V.

    2002-01-01

    A modified water-immiscible solvent useful in the extraction of acetic acid from aqueous streams is a substantially pure mixture of isomers of highly branched di-alkyl amines. This solvent is substantially devoid of mono-alkyl amines and alcohols. Solvent mixtures formed of such a modified solvent with a desired cosolvent, preferably a low boiling hydrocarbon which forms an azeotrope with water are useful in the extraction of acetic acid from aqueous gaseous streams. An anaerobic microbial fermentation process for the production of acetic acid employs such solvents, under conditions which limit amide formation by the solvent and thus increase the efficiency of acetic acid recovery. Methods for the direct extraction of acetic acid and the extractive fermentation of acetic acid also employ the modified solvents and increase efficiency of acetic acid production. Such increases in efficiency are also obtained where the energy source for the microbial fermentation contains carbon dioxide and the method includes a carbon dioxide stripping step prior to extraction of acetic acid in solvent.

  7. Modeling vapor pressures of solvent systems with and without a salt effect: An extension of the LSER approach

    International Nuclear Information System (INIS)

    Senol, Aynur

    2015-01-01

    Highlights: • A new polynomial vapor pressure approach for pure solvents is presented. • Solvation models reproduce the vapor pressure data within a 4% mean error. • A concentration-basis vapor pressure model is also implemented on relevant systems. • The reliability of existing models was analyzed using log-ratio objective function. - Abstract: A new polynomial vapor pressure approach for pure solvents is presented. The model is incorporated into the LSER (linear solvation energy relation) based solvation model framework and checked for consistency in reproducing experimental vapor pressures of salt-containing solvent systems. The developed two structural forms of the generalized solvation model (Senol, 2013) provide a relatively accurate description of the salting effect on vapor pressure of (solvent + salt) systems. The equilibrium data spanning vapor pressures of eighteen (solvent + salt) and three (solvent (1) + solvent (2) + salt) systems have been subjected to establish the basis for the model reliability analysis using a log-ratio objective function. The examined vapor pressure relations reproduce the observed performance relatively accurately, yielding the overall design factors of 1.084, 1.091 and 1.052 for the integrated property-basis solvation model (USMIP), reduced property-basis solvation model and concentration-dependent model, respectively. Both the integrated property-basis and reduced property-basis solvation models were able to simulate satisfactorily the vapor pressure data of a binary solvent mixture involving a salt, yielding an overall mean error of 5.2%

  8. Specific solvent effect on lumazine photophysics: A combined fluorescence and intrinsic reaction coordinate analysis

    Energy Technology Data Exchange (ETDEWEB)

    Moyon, N. Shaemningwar; Gashnga, Pynsakhiat Miki; Phukan, Smritakshi; Mitra, Sivaprasad, E-mail: smitra@nehu.ac.in

    2013-06-27

    Highlights: • Correlation of lumazine photophysics with multiparametric Kamlet–Taft equation. • Solvent basicity (β) contributes maximum towards the hydrogen bonding (HB) effect. • HB interaction occurs at N1 and N3 proton in S{sub 0} and S{sub 1} state, respectively. • IRC calculation for different tautomerization processes both in S{sub 0} and S{sub 1} states. • Process related to riboflavin biosynthesis is thermodynamically feasible. - Abstract: The photophysical properties and tautomerization behavior of neutral lumazine were studied by fluorescence spectroscopy and density functional theory calculation. A quantitative estimation of the contributions from different solvatochromic parameters, like solvent polarizibility (π{sup ∗}), hydrogen bond donation (α) and hydrogen bond accepting (β) ability of the solvent, was made using linear free energy relationships based on the Kamlet–Taft equation. The analysis reveals that the hydrogen bond acceptance ability of the solvent is the most important parameter characterizing the excited state behavior of lumazine. Theoretical calculations result predict an extensive charge redistribution of lumazine upon excitation corresponding to the N3 and N1 proton dissociation sites by solvents in the ground and excited states, respectively. Comparison of S{sub 0} and S{sub 1} state potential energy curves constructed for several water mediated tautomerization processes by intrinsic reaction coordinate analysis of lumazine-H{sub 2}O cluster shows that (3,2) and (1,8) hydrogen migrations are the most favorable processes upon excitation.

  9. Effect of dynamic surface polarization on the oxidative stability of solvents in nonaqueous Li-O 2 batteries

    Science.gov (United States)

    Khetan, Abhishek; Pitsch, Heinz; Viswanathan, Venkatasubramanian

    2017-09-01

    Polarization-induced renormalization of the frontier energy levels of interacting molecules and surfaces can cause significant shifts in the excitation and transport behavior of electrons. This phenomenon is crucial in determining the oxidative stability of nonaqueous electrolytes in high-energy density electrochemical systems such as the Li-O2 battery. On the basis of partially self-consistent first-principles Sc G W0 calculations, we systematically study how the electronic energy levels of four commonly used solvent molecules, namely, dimethylsulfoxide (DMSO), dimethoxyethane (DME), tetrahydrofuran (THF), and acetonitrile (ACN), renormalize when physisorbed on the different stable surfaces of Li2O2 , the main discharge product. Using band level alignment arguments, we propose that the difference between the solvent's highest occupied molecular orbital (HOMO) level and the surface's valence-band maximum (VBM) is a refined metric of oxidative stability. This metric and a previously used descriptor, solvent's gas phase HOMO level, agree quite well for physisorbed cases on pristine surfaces where ACN is oxidatively most stable followed by DME, THF, and DMSO. However, this effect is intrinsically linked to the surface chemistry of the solvent's interaction with the surface states and defects, and depends strongly on their nature. We conclusively show that the propensity of solvent molecules to oxidize will be significantly higher on Li2O2 surfaces with defects as compared to pristine surfaces. This suggests that the oxidative stability of a solvent is dynamic and is a strong function of surface electronic properties. Thus, while gas phase HOMO levels could be used for preliminary solvent candidate screening, a more refined picture of solvent stability requires mapping out the solvent stability as a function of the state of the surface under operating conditions.

  10. A ROP2-RIC1 pathway fine-tunes microtubule reorganization for salt tolerance in Arabidopsis.

    Science.gov (United States)

    Li, Changjiang; Lu, Hanmei; Li, Wei; Yuan, Ming; Fu, Ying

    2017-07-01

    The reorganization of microtubules induced by salt stress is required for Arabidopsis survival under high salinity conditions. RIC1 is an effector of Rho-related GTPase from plants (ROPs) and a known microtubule-associated protein. In this study, we demonstrated that RIC1 expression decreased with long-term NaCl treatment, and ric1-1 seedlings exhibited a higher survival rate under salt stress. We found that RIC1 reduced the frequency of microtubule transition from shortening to growing status and knockout of RIC1 improved the reassembly of depolymerized microtubules caused by either oryzalin treatment or salt stress. Further investigation showed that constitutively active ROP2 promoted the reassembly of microtubules and the survival of seedlings under salt stress. A rop2-1 ric1-1 double mutant rescued the salt-sensitive phenotype of rop2-1, indicating that ROP2 functions in salt tolerance through RIC1. Although ROP2 did not regulate RIC1 expression upon salt stress, a quick but mild increase of ROP2 activity was induced, led to reduction of RIC1 on microtubules. Collectively, our study reveals an ROP2-RIC1 pathway that fine-tunes microtubule dynamics in response to salt stress in Arabidopsis. This finding not only reveals a new regulatory mechanism for microtubule reorganization under salt stress but also the importance of ROP signalling for salinity tolerance. © 2017 John Wiley & Sons Ltd.

  11. THE HIGHLY DEVELOPED INFORMATION AND EDUCATION ENVIRONMENT AS A PRECONDITION OF EDUCATIONAL SYSTEM REORGANIZATION

    Directory of Open Access Journals (Sweden)

    Y. K. Khenner

    2014-01-01

    Full Text Available The paper regards the development of the information and education environment of Russian universities as an important condition for successful reorganization of higher education. Taking as an example one of theUSuniversities, the author demonstrates the capacity of information education environment and its impact on the multilevel educational process. The comparative analysis of the existing information education environments of Russian an American universities reveals that such effective improvements as increasing number of students working on the individual curricula,__ implementation of the learning outcome monitoring, inclusive education, etc require immediate and substantial development of the information education environment of Russian universities. Both the development level and informational content of the environment in question remain unsatisfactory due to the financial, economic and staff related reasons. Consequently, the higher school reorganization is lagging behind retarded by the lack of synchronization between the attempts to improve the education quality and competitiveness on the one hand, and insufficient level of the information education environment characteristic of Russian universities on the other hand.

  12. Structural reorganization of the early visual cortex following Braille training in sighted adults.

    Science.gov (United States)

    Bola, Łukasz; Siuda-Krzywicka, Katarzyna; Paplińska, Małgorzata; Sumera, Ewa; Zimmermann, Maria; Jednoróg, Katarzyna; Marchewka, Artur; Szwed, Marcin

    2017-12-12

    Training can induce cross-modal plasticity in the human cortex. A well-known example of this phenomenon is the recruitment of visual areas for tactile and auditory processing. It remains unclear to what extent such plasticity is associated with changes in anatomy. Here we enrolled 29 sighted adults into a nine-month tactile Braille-reading training, and used voxel-based morphometry and diffusion tensor imaging to describe the resulting anatomical changes. In addition, we collected resting-state fMRI data to relate these changes to functional connectivity between visual and somatosensory-motor cortices. Following Braille-training, we observed substantial grey and white matter reorganization in the anterior part of early visual cortex (peripheral visual field). Moreover, relative to its posterior, foveal part, the peripheral representation of early visual cortex had stronger functional connections to somatosensory and motor cortices even before the onset of training. Previous studies show that the early visual cortex can be functionally recruited for tactile discrimination, including recognition of Braille characters. Our results demonstrate that reorganization in this region induced by tactile training can also be anatomical. This change most likely reflects a strengthening of existing connectivity between the peripheral visual cortex and somatosensory cortices, which suggests a putative mechanism for cross-modal recruitment of visual areas.

  13. The origin of Mauna Loa's Nīnole Hills: Evidence of rift zone reorganization

    Science.gov (United States)

    Zurek, Jeffrey; Williams-Jones, Glyn; Trusdell, Frank A.; Martin, Simon

    2015-01-01

    In order to identify the origin of Mauna Loa volcano's Nīnole Hills, Bouguer gravity was used to delineate density contrasts within the edifice. Our survey identified two residual anomalies beneath the Southwest Rift Zone (SWRZ) and the Nīnole Hills. The Nīnole Hills anomaly is elongated, striking northeast, and in inversions both anomalies merge at approximately −7 km above sea level. The positive anomaly, modeled as a rock volume of ~1200 km3 beneath the Nīnole Hills, is associated with old eruptive vents. Based on the geologic and geophysical data, we propose that the gravity anomaly under the Nīnole Hills records an early SWRZ orientation, now abandoned due to geologically rapid rift-zone reorganization. Catastrophic submarine landslides from Mauna Loa's western flank are the most likely cause for the concurrent abandonment of the Nīnole Hills section of the SWRZ. Rift zone reorganization induced by mass wasting is likely more common than currently recognized.

  14. Congenital blindness is associated with large-scale reorganization of anatomical networks.

    Science.gov (United States)

    Hasson, Uri; Andric, Michael; Atilgan, Hicret; Collignon, Olivier

    2016-03-01

    Blindness is a unique model for understanding the role of experience in the development of the brain's functional and anatomical architecture. Documenting changes in the structure of anatomical networks for this population would substantiate the notion that the brain's core network-level organization may undergo neuroplasticity as a result of life-long experience. To examine this issue, we compared whole-brain networks of regional cortical-thickness covariance in early blind and matched sighted individuals. This covariance is thought to reflect signatures of integration between systems involved in similar perceptual/cognitive functions. Using graph-theoretic metrics, we identified a unique mode of anatomical reorganization in the blind that differed from that found for sighted. This was seen in that network partition structures derived from subgroups of blind were more similar to each other than they were to partitions derived from sighted. Notably, after deriving network partitions, we found that language and visual regions tended to reside within separate modules in sighted but showed a pattern of merging into shared modules in the blind. Our study demonstrates that early visual deprivation triggers a systematic large-scale reorganization of whole-brain cortical-thickness networks, suggesting changes in how occipital regions interface with other functional networks in the congenitally blind. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

  15. Aging causes a reorganization of cortical and spinal control of posture

    Directory of Open Access Journals (Sweden)

    Selma ePapegaaij

    2014-03-01

    Full Text Available Classical studies in animal preparations suggest a strong role for spinal control of posture. In young adults it is now established that the cerebral cortex contributes to postural control of unperturbed and perturbed standing. The age-related degeneration and accompanying functional changes in the brain, reported so far mainly in conjunction with simple manual motor tasks, may also affect the mechanisms that control complex motor tasks involving posture. This review outlines the age-related structural and functional changes at spinal and cortical levels and provides a mechanistic analysis of how such changes may be linked to the behaviorally manifest postural deficits in old adults. The emerging picture is that the age-related reorganization in motor control during voluntary tasks, characterized by differential modulation of spinal reflexes, greater cortical activation and cortical disinhibition, is also present during postural tasks. We discuss the possibility that this reorganization underlies the increased coactivation and dual task interference reported in elderly. Finally, we propose a model for future studies to unravel the structure-function-behavior relations in postural control and aging.

  16. Large extents of intensive land use limit community reorganization during climate warming.

    Science.gov (United States)

    Oliver, Tom H; Gillings, Simon; Pearce-Higgins, James W; Brereton, Tom; Crick, Humphrey Q P; Duffield, Simon J; Morecroft, Michael D; Roy, David B

    2017-06-01

    Climate change is increasingly altering the composition of ecological communities, in combination with other environmental pressures such as high-intensity land use. Pressures are expected to interact in their effects, but the extent to which intensive human land use constrains community responses to climate change is currently unclear. A generic indicator of climate change impact, the community temperature index (CTI), has previously been used to suggest that both bird and butterflies are successfully 'tracking' climate change. Here, we assessed community changes at over 600 English bird or butterfly monitoring sites over three decades and tested how the surrounding land has influenced these changes. We partitioned community changes into warm- and cold-associated assemblages and found that English bird communities have not reorganized successfully in response to climate change. CTI increases for birds are primarily attributable to the loss of cold-associated species, whilst for butterflies, warm-associated species have tended to increase. Importantly, the area of intensively managed land use around monitoring sites appears to influence these community changes, with large extents of intensively managed land limiting 'adaptive' community reorganization in response to climate change. Specifically, high-intensity land use appears to exacerbate declines in cold-adapted bird and butterfly species, and prevent increases in warm-associated birds. This has broad implications for managing landscapes to promote climate change adaptation. © 2017 John Wiley & Sons Ltd.

  17. Long-Lasting Crossmodal Cortical Reorganization Triggered by Brief Postnatal Visual Deprivation.

    Science.gov (United States)

    Collignon, Olivier; Dormal, Giulia; de Heering, Adelaide; Lepore, Franco; Lewis, Terri L; Maurer, Daphne

    2015-09-21

    Animal and human studies have demonstrated that transient visual deprivation early in life, even for a very short period, permanently alters the response properties of neurons in the visual cortex and leads to corresponding behavioral visual deficits. While it is acknowledged that early-onset and longstanding blindness leads the occipital cortex to respond to non-visual stimulation, it remains unknown whether a short and transient period of postnatal visual deprivation is sufficient to trigger crossmodal reorganization that persists after years of visual experience. In the present study, we characterized brain responses to auditory stimuli in 11 adults who had been deprived of all patterned vision at birth by congenital cataracts in both eyes until they were treated at 9 to 238 days of age. When compared to controls with typical visual experience, the cataract-reversal group showed enhanced auditory-driven activity in focal visual regions. A combination of dynamic causal modeling with Bayesian model selection indicated that this auditory-driven activity in the occipital cortex was better explained by direct cortico-cortical connections with the primary auditory cortex than by subcortical connections. Thus, a short and transient period of visual deprivation early in life leads to enduring large-scale crossmodal reorganization of the brain circuitry typically dedicated to vision. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Permian-Triassic Tethyan realm reorganization: Implications for the outward Pangea margin

    Science.gov (United States)

    Riel, Nicolas; Jaillard, Etienne; Martelat, Jean-Emmanuel; Guillot, Stéphane; Braun, Jean

    2018-01-01

    We present a new conceptual model to explain the first order Permian-Triassic evolution of the whole > 30 000 km long Pangea margin facing the Panthalassa ocean. Compilation of available geological, geochemical, geochronogical and paleomagnetic data all along this system allowed us to distinguish three part of the margin: western Laurentia, western Gondwana and eastern Gondwana. These segments record distinct tectonic and magmatic events, which all occur synchronously along the whole margin and correlate well with the main geodynamic events of this period, i.e. subduction of the Paleotethys mid-ocean ridge at 310-280 Ma, opening of the Neotethys at 280-260 Ma, counterclockwise rotation of Pangea at 260-230 Ma and closure of the Paleotethys at 230-220 Ma. Between 260 and 230 Ma, the reorganization of the Tethyan realm triggered the up to 35° rotation of Pangea around an Euler pole located in northernmost South America. This implied both an increase and a decrease of the convergence rate between the margin and the Panthalassa ocean, north and south of the Euler pole, respectively. Thus, the Permian-Triassic Pangean margin was marked: in western Laurentia by marginal sea closure, in western Gondwana by widespread bimodal magmatic and volcanic activity, in eastern Gondwana by transpressive orogenic phase. Therefore, we propose that the Permian-Triassic evolution of the outward margin of Pangea was controlled by the Tethyan realm reorganization.

  19. Choice between hierarchy and market: Case of Central Electricity Generating Board's reorganization

    International Nuclear Information System (INIS)

    Caroli, M.

    1992-01-01

    Through the use of the 'Organization and Market' theoretical approach, this article outlines CEGB's reorganization to evaluate this experience under the strategic planning and operating effectiveness perspectives. The first part synthesizes the basic points of the 1990 reform which divided CEGB into three different companies and separated the control of the generation of electric power from its transport. The second part summarizes the main considerations about conditions of efficiency of vertical integration and disintegration, according to the 'Organization and Market' approach. By utilizing the conclusions highlighted in the first two parts of this article, the third one studies the effects of CEGB's vertical disintegration on the level of competition in power generation market; on CEGB's strategic effectiveness and operative efficiency; and on transactional costs in the electric power industry. CEGB's reorganization does not seem to have had a relevantly positive effect on competition, while it has caused a strategic burden and a significant increase of transactional costs in the exchange of electricity between the generator and the transmitter

  20. Corticospinal Reorganization after Locomotor Training in a Person with Motor Incomplete Paraplegia

    Directory of Open Access Journals (Sweden)

    Nupur Hajela

    2013-01-01

    Full Text Available Activity-dependent plasticity as a result of reorganization of neural circuits is a fundamental characteristic of the central nervous system that occurs simultaneously in multiple sites. In this study, we established the effects of subthreshold transcranial magnetic stimulation (TMS over the primary motor cortex region on the tibialis anterior (TA long-latency flexion reflex. Neurophysiological tests were conducted before and after robotic gait training in one person with a motor incomplete spinal cord injury (SCI while at rest and during robotic-assisted stepping. The TA flexion reflex was evoked following nonnociceptive sural nerve stimulation and was conditioned by TMS at 0.9 TA motor evoked potential resting threshold at conditioning-test intervals that ranged from 70 to 130 ms. Subthreshold TMS induced a significant facilitation on the TA flexion reflex before training, which was reversed to depression after training with the subject seated at rest. During stepping, corticospinal facilitation of the flexion reflex at early and midstance phases before training was replaced with depression at early and midswing followed by facilitation at late swing after training. These results constitute the first neurophysiologic evidence that locomotor training reorganizes the cortical control of spinal interneuronal circuits that generate patterned motor activity, modifying spinal reflex function, in the chronic lesioned human spinal cord.