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Sample records for nucleotide-sugar transporters structure

  1. The Arabidopsis Golgi-localized GDP-L-fucose transporter is required for plant development

    DEFF Research Database (Denmark)

    Rautengarten, Carsten; Ebert, Berit; Liu, Lifeng

    2016-01-01

    assays, we show that GFT preferentially transports GDP-L-fucose over other nucleotide sugars in vitro, while GFT1-silenced plants are almost devoid of L-fucose in cell wall-derived xyloglucan and rhamnogalacturonan II. Furthermore, these lines display reduced L-fucose content in N-glycan structures......Nucleotide sugar transport across Golgi membranes is essential for the luminal biosynthesis of glycan structures. Here we identify GDP-fucose transporter 1 (GFT1), an Arabidopsis nucleotide sugar transporter that translocates GDP-L-fucose into the Golgi lumen. Using proteo-liposome-based transport...... accompanied by severe developmental growth defects. We conclude that GFT1 is the major nucleotide sugar transporter for import of GDP-L-fucose into the Golgi and is required for proper plant growth and development....

  2. The Arabidopsis Golgi-localized GDP-L-fucose transporter is required for plant development.

    Science.gov (United States)

    Rautengarten, Carsten; Ebert, Berit; Liu, Lifeng; Stonebloom, Solomon; Smith-Moritz, Andreia M; Pauly, Markus; Orellana, Ariel; Scheller, Henrik Vibe; Heazlewood, Joshua L

    2016-07-06

    Nucleotide sugar transport across Golgi membranes is essential for the luminal biosynthesis of glycan structures. Here we identify GDP-fucose transporter 1 (GFT1), an Arabidopsis nucleotide sugar transporter that translocates GDP-L-fucose into the Golgi lumen. Using proteo-liposome-based transport assays, we show that GFT preferentially transports GDP-L-fucose over other nucleotide sugars in vitro, while GFT1-silenced plants are almost devoid of L-fucose in cell wall-derived xyloglucan and rhamnogalacturonan II. Furthermore, these lines display reduced L-fucose content in N-glycan structures accompanied by severe developmental growth defects. We conclude that GFT1 is the major nucleotide sugar transporter for import of GDP-L-fucose into the Golgi and is required for proper plant growth and development.

  3. The Golgi localized bifunctional UDP-rhamnose/UDP-galactose transporter family of Arabidopsis

    DEFF Research Database (Denmark)

    Rautengarten, Carsten; Ebert, Berit; Moreno, Ignacio

    2014-01-01

    Delivery of nucleotide sugar substrates into the Golgi apparatus and endoplasmic reticulum for processes such as cell wall biosynthesis and protein glycosylation is critical for plant growth and development. Plant genomes encode large families of uncharacterized nucleotide sugar transporters that...

  4. Disruption of O-GlcNAc cycling in C. elegans perturbs Nucleotide Sugar pools and Complex Glycans

    Directory of Open Access Journals (Sweden)

    Salil K Ghosh

    2014-11-01

    Full Text Available The carbohydrate modification of serine and threonine residues with O-linked beta-N-acetylglucosamine (O-GlcNAc is ubiquitous and governs cellular processes ranging from cell signaling to apoptosis. The O-GlcNAc modification along with other carbohydrate modifications, including N-linked and O-linked glycans, glycolipids, and sugar polymers, all require the use of the nucleotide sugar UDP-GlcNAc, the end product of the hexosamine biosynthetic pathway. In this paper, we describe the biochemical consequences resulting from perturbation of the O-GlcNAc pathway in C. elegans lacking O-GlcNAc transferase and O-GlcNAcase activities. In ogt-1 null animals, steady-state levels of UDP-GlcNAc/UDP-GalNAc and UDP-glucose were substantially elevated. Transcripts of genes encoding for key members in the Hexosamine Biosynthetic Pathway (gfat-2, gna-2, C36A4.4 and trehalose metabolism (tre-1, tre-2, and tps-2 were elevated in ogt-1 null animals. While there is no evidence to suggest changes in the profile of N-linked glycans in the ogt-1 and oga-1 mutants, glycans insensitive to PNGase digestion (including O-linked glycans, glycolipids, and glycopolymers were altered in these strains. Our data supports that changes in O-GlcNAcylation alters nucleotide sugar production, overall glycan composition, and transcription of genes encoding glycan processing enzymes. These data along with our previous findings that disruption in O-GlcNAc cycling alters macronutrient storage underscores the noteworthy influence this posttranslational modification plays in nutrient sensing.

  5. Trajectory structures and transport

    International Nuclear Information System (INIS)

    Vlad, Madalina; Spineanu, Florin

    2004-01-01

    The special problem of transport in two-dimensional divergence-free stochastic velocity fields is studied by developing a statistical approach, the nested subensemble method. The nonlinear process of trapping determined by such fields generates trajectory structures whose statistical characteristics are determined. These structures strongly influence the transport

  6. Synergizing metabolic flux analysis and nucleotide sugar metabolism to understand the control of glycosylation of recombinant protein in CHO cells

    LENUS (Irish Health Repository)

    Burleigh, Susan C

    2011-10-18

    Abstract Background The glycosylation of recombinant proteins can be altered by a range of parameters including cellular metabolism, metabolic flux and the efficiency of the glycosylation process. We present an experimental set-up that allows determination of these key processes associated with the control of N-linked glycosylation of recombinant proteins. Results Chinese hamster ovary cells (CHO) were cultivated in shake flasks at 0 mM glutamine and displayed a reduced growth rate, glucose metabolism and a slower decrease in pH, when compared to other glutamine-supplemented cultures. The N-linked glycosylation of recombinant human chorionic gonadotrophin (HCG) was also altered under these conditions; the sialylation, fucosylation and antennarity decreased, while the proportion of neutral structures increased. A continuous culture set-up was subsequently used to understand the control of HCG glycosylation in the presence of varied glutamine concentrations; when glycolytic flux was reduced in the absence of glutamine, the glycosylation changes that were observed in shake flask culture were similarly detected. The intracellular content of UDP-GlcNAc was also reduced, which correlated with a decrease in sialylation and antennarity of the N-linked glycans attached to HCG. Conclusions The use of metabolic flux analysis illustrated a case of steady state multiplicity, where use of the same operating conditions at each steady state resulted in altered flux through glycolysis and the TCA cycle. This study clearly demonstrated that the control of glycoprotein microheterogeneity may be examined by use of a continuous culture system, metabolic flux analysis and assay of intracellular nucleotides. This system advances our knowledge of the relationship between metabolic flux and the glycosylation of biotherapeutics in CHO cells and will be of benefit to the bioprocessing industry.

  7. Ballistic transport and electronic structure

    NARCIS (Netherlands)

    Schep, Kees M.; Kelly, Paul J.; Bauer, Gerrit E.W.

    1998-01-01

    The role of the electronic structure in determining the transport properties of ballistic point contacts is studied. The conductance in the ballistic regime is related to simple geometrical projections of the Fermi surface. The essential physics is first clarified for simple models. For real

  8. Tariff structures for the transport of electricity

    International Nuclear Information System (INIS)

    Frenken, R.M.L.; Van de Water, C.J.

    1995-01-01

    Some possible tariff structures for electricity transport are discussed. First, the costs associated with the transport of electricity are explained. The fixed and variable costs of a transport are illustrated with some examples. Furthermore, the most common tariff structures (contract path, megawatt mile, postage stamp) and negotiated Third Party Access are discussed. Finally, the way the tariff structures reflect the costs of electricity transport are reviewed. 3 figs., 1 tab., 7 refs

  9. Prokaryotic transport in electrohydrodynamic structures

    NARCIS (Netherlands)

    Paulitsch-Fuchs, A.H.; Fuchs, E.C.; Wexler, A.D.; Freund, F.T.; Rothschild, L.J.; Cherukupally, A.; Euverink, G.J.W.

    When a high-voltage direct-current is applied to two beakers filled with water, a horizontal electrohydrodynamic (EHD) bridge forms between the two beakers. In this work we study the transport and behavior of bacterial cells added to an EHD bridge set-up. Organisms were added to one or to both

  10. Transport Market and its Structure

    Directory of Open Access Journals (Sweden)

    Teodor Perić

    2002-05-01

    Full Text Available Market is the integrity of relations between supply and demandof traffic or some other service (goods which at a ce11ainplace and location, at a certain time affect the supply and purchaseof certain products, including services, stocks, money,and the set of all institutions, areas, devices and instrumentsthat act on the sale and other transactions realised at that point.It is the main resource allocator (~resource allocation in thesystems of free private ownership economic and transport systems.

  11. Prokaryotic transport in electrohydrodynamic structures

    International Nuclear Information System (INIS)

    Paulitsch-Fuchs, A H; Fuchs, E C; Wexler, A D; Freund, F T; Rothschild, L J; Cherukupally, A; Euverink, G J W

    2012-01-01

    When a high-voltage direct-current is applied to two beakers filled with water, a horizontal electrohydrodynamic (EHD) bridge forms between the two beakers. In this work we study the transport and behavior of bacterial cells added to an EHD bridge set-up. Organisms were added to one or to both beakers, and the transport of the cells through the bridge was monitored using optical and microbiological techniques. It is shown that Escherichia coli top10 (Invitrogen, Carlsbad, CA, USA) and bioluminescent E. coli YMC10 with a plasmid (pJE202) containing Vibrio fischeri genes can survive the exposure to an EHD liquid bridge set-up and the cells are drawn toward the anode due to their negative surface charge. Dielectrophoresis and hydrostatic forces are likely to be the cause for their transport in the opposite direction which was observed as well, but to a much lesser extent. Most E. coli YMC10 bacteria which passed the EHD bridge exhibited increased luminescent activity after 24 h. This can be explained by two likely mechanisms: nutrient limitation in the heavier inoculated vials and a ‘survival of the strongest’ mechanism. (paper)

  12. Prokaryotic transport in electrohydrodynamic structures

    Science.gov (United States)

    Paulitsch-Fuchs, A. H.; Fuchs, E. C.; Wexler, A. D.; Freund, F. T.; Rothschild, L. J.; Cherukupally, A.; Euverink, G. J. W.

    2012-04-01

    When a high-voltage direct-current is applied to two beakers filled with water, a horizontal electrohydrodynamic (EHD) bridge forms between the two beakers. In this work we study the transport and behavior of bacterial cells added to an EHD bridge set-up. Organisms were added to one or to both beakers, and the transport of the cells through the bridge was monitored using optical and microbiological techniques. It is shown that Escherichia coli top10 (Invitrogen, Carlsbad, CA, USA) and bioluminescent E. coli YMC10 with a plasmid (pJE202) containing Vibrio fischeri genes can survive the exposure to an EHD liquid bridge set-up and the cells are drawn toward the anode due to their negative surface charge. Dielectrophoresis and hydrostatic forces are likely to be the cause for their transport in the opposite direction which was observed as well, but to a much lesser extent. Most E. coli YMC10 bacteria which passed the EHD bridge exhibited increased luminescent activity after 24 h. This can be explained by two likely mechanisms: nutrient limitation in the heavier inoculated vials and a ‘survival of the strongest’ mechanism.

  13. Commercial transport aircraft composite structures

    Science.gov (United States)

    Mccarty, J. E.

    1983-01-01

    The role that analysis plays in the development, production, and substantiation of aircraft structures is discussed. The types, elements, and applications of failure that are used and needed; the current application of analysis methods to commercial aircraft advanced composite structures, along with a projection of future needs; and some personal thoughts on analysis development goals and the elements of an approach to analysis development are discussed.

  14. Stochastic transport through complex comb structures

    International Nuclear Information System (INIS)

    Zaburdaev, V. Yu.; Popov, P. V.; Romanov, A. S.; Chukbar, K. V.

    2008-01-01

    A unified rigorous approach is used to derive fractional differential equations describing subdiffusive transport through comb structures of various geometrical complexity. A general nontrivial effect of the initial particle distribution on the subsequent evolution is exposed. Solutions having qualitative features of practical importance are given for joined structures with widely different fractional exponents

  15. Structural Stability of Tokamak Equilibrium: Transport Barriers

    Energy Technology Data Exchange (ETDEWEB)

    Solano, E. R.

    2001-07-01

    A generalised theory of structural stability of differential equations is introduced and applied to the Grad-Shafranov equation. It is discussed how the formation and loss of transport barrier could be associated with the appearance/disappearance of equilibria. The equilibrium conjecture is presented: transport barriers are associated with locally diamagnetic regions in the plasma, and affected by the paramagnetism of the bootstrap current. (Author) 18 refs.

  16. Porous media fluid transport and pore structure

    CERN Document Server

    Dullien, F A L

    1992-01-01

    This book examines the relationship between transport properties and pore structure of porous material. Models of pore structure are presented with a discussion of how such models can be used to predict the transport properties of porous media. Portions of the book are devoted to interpretations of experimental results in this area and directions for future research. Practical applications are given where applicable, and are expected to be useful for a large number of different fields, including reservoir engineering, geology, hydrogeology, soil science, chemical process engineering, biomedica

  17. Xylose donor transport is critical for fungal virulence.

    Directory of Open Access Journals (Sweden)

    Lucy X Li

    2018-01-01

    Full Text Available Cryptococcus neoformans, an AIDS-defining opportunistic pathogen, is the leading cause of fungal meningitis worldwide and is responsible for hundreds of thousands of deaths annually. Cryptococcal glycans are required for fungal survival in the host and for pathogenesis. Most glycans are made in the secretory pathway, although the activated precursors for their synthesis, nucleotide sugars, are made primarily in the cytosol. Nucleotide sugar transporters are membrane proteins that solve this topological problem, by exchanging nucleotide sugars for the corresponding nucleoside phosphates. The major virulence factor of C. neoformans is an anti-phagocytic polysaccharide capsule that is displayed on the cell surface; capsule polysaccharides are also shed from the cell and impede the host immune response. Xylose, a neutral monosaccharide that is absent from model yeast, is a significant capsule component. Here we show that Uxt1 and Uxt2 are both transporters specific for the xylose donor, UDP-xylose, although they exhibit distinct subcellular localization, expression patterns, and kinetic parameters. Both proteins also transport the galactofuranose donor, UDP-galactofuranose. We further show that Uxt1 and Uxt2 are required for xylose incorporation into capsule and protein; they are also necessary for C. neoformans to cause disease in mice, although surprisingly not for fungal viability in the context of infection. These findings provide a starting point for deciphering the substrate specificity of an important class of transporters, elucidate a synthetic pathway that may be productively targeted for therapy, and contribute to our understanding of fundamental glycobiology.

  18. Structure and Transport Anomalies in Soft Colloids

    KAUST Repository

    Srivastava, Samanvaya

    2013-04-01

    Anomalous trends in nanoparticle correlation and motion are reported in soft nanoparticle suspensions using static and dynamic x-ray scattering measurements. Contrary to normal expectations, we find that particle-particle correlations decrease and particle dynamics become faster as volume fraction rises above a critical particle loading associated with overlap. Our observations bear many similarities to the cascade of structural and transport anomalies reported for complex, network forming molecular fluids such as water, and are argued to share similar physical origins. © 2013 American Physical Society.

  19. Epitaxial graphene electronic structure and transport

    International Nuclear Information System (INIS)

    De Heer, Walt A; Berger, Claire; Wu Xiaosong; Sprinkle, Mike; Hu Yike; Ruan Ming; First, Phillip N; Stroscio, Joseph A; Haddon, Robert; Piot, Benjamin; Faugeras, Clement; Potemski, Marek; Moon, Jeong-Sun

    2010-01-01

    Since its inception in 2001, the science and technology of epitaxial graphene on hexagonal silicon carbide has matured into a major international effort and is poised to become the first carbon electronics platform. A historical perspective is presented and the unique electronic properties of single and multilayered epitaxial graphenes on electronics grade silicon carbide are reviewed. Early results on transport and the field effect in Si-face grown graphene monolayers provided proof-of-principle demonstrations. Besides monolayer epitaxial graphene, attention is given to C-face grown multilayer graphene, which consists of electronically decoupled graphene sheets. Production, structure and electronic structure are reviewed. The electronic properties, interrogated using a wide variety of surface, electrical and optical probes, are discussed. An overview is given of recent developments of several device prototypes including resistance standards based on epitaxial graphene quantum Hall devices and new ultrahigh frequency analogue epitaxial graphene amplifiers.

  20. Charge transport and structure in semimetallic polymers

    DEFF Research Database (Denmark)

    Rudd, Sam; Franco-Gonzalez, Juan F.; Kumar Singh, Sandeep

    2017-01-01

    Owing to changes in their chemistry and structure, polymers can be fabricated to demonstrate vastly different electrical conductivities over many orders of magnitude. At the high end of conductivity is the class of conducting polymers, which are ideal candidates for many applications in low......-cost electronics. Here, we report the influence of the nature of the doping anion at high doping levels within the semi-metallic conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) on its electronic transport properties. Hall effect measurements on a variety of PEDOT samples show that the choice of doping...... that the chosen doping anion modifies the way PEDOT chains stack together. This link between structure and specific anion doping at high doping levels has ramifications for the fabrication of conducting polymer-based devices....

  1. Modelling multicomponent solute transport in structured soils

    NARCIS (Netherlands)

    Beinum, van G.W.

    2007-01-01

    The mobility of contaminants in soil is an important factor in determining their ability to spread into the wider environment. For non-volatile substances, transport within the soil is generally dominated by transport of dissolved fractions in the soil water phase, via either diffusion or

  2. Structure and transport properties of nanostructured materials.

    Science.gov (United States)

    Sonwane, C G; Li, Q

    2005-03-31

    In the present manuscript, we have presented the simulation of nanoporous aluminum oxide using a molecular-dynamics approach with recently developed dynamic charge transfer potential using serial/parallel programming techniques (Streitz and Mintmire Phys. Rev. B 1994, 50, 11996). The structures resembling recently invented ordered nanoporous crystalline material, MCM-41/SBA-15 (Kresge et al. Nature 1992, 359, 710), and inverted porous solids (hollow nanospheres) with up to 10 000 atoms were fabricated and studied in the present work. These materials have been used for separation of gases and catalysis. On several occasions including the design of the reactor, the knowledge of surface diffusion is necessary. In the present work, a new method for estimating surface transport of gases based on a hybrid Monte Carlo method with unbiased random walk of tracer atom on the pore surface has been introduced. The nonoverlapping packings used in the present work were fabricated using an algorithm of very slowly settling rigid spheres from a dilute suspension into a randomly packed bed. The algorithm was modified to obtain unimodal, homogeneous Gaussian and segregated bimodal porous solids. The porosity of these solids was varied by densification using an arbitrary function or by coarsening from a highly densified pellet. The surface tortuosity for the densified solids indicated an inverted bell shape curve consistent with the fact that at very high porosities there is a reduction in the connectivity while at low porosities the pores become inaccessible or dead-end. The first passage time distribution approach was found to be more efficient in terms of computation time (fewer tracer atoms needed for the linearity of Einstein's plot). Results by hybrid discrete-continuum simulations were close to the discrete simulations for a boundary layer thickness of 5lambda.

  3. Cooperative Business Structures for Green Transport Corridors

    Directory of Open Access Journals (Sweden)

    Prause Gunnar

    2017-10-01

    Full Text Available In its White Paper on “A Sustainable Future of Transport”, the European Commission promoted the idea of green transport corridors (GTCs by establishing trans-shipment routes with concentration of freight traffic between major hubs. GTCs reduce environmental and climate impact of the traffic on these relatively long distances of transport while increasing safety and efficiency with the application of sustainable logistics solutions. The Baltic Sea Region (BSR enjoys a vanguard position in the development and realisation of green transport concepts within Europe.

  4. Membrane transport mechanism 3D structure and beyond

    CERN Document Server

    Ziegler, Christine

    2014-01-01

    This book provides a molecular view of membrane transport by means of numerous biochemical and biophysical techniques. The rapidly growing number of atomic structures of transporters in different conformations and the constant progress in bioinformatics have recently added deeper insights.   The unifying mechanism of energized solute transport across membranes is assumed to consist of the conformational cycling of a carrier protein to provide access to substrate binding sites from either side of a cellular membrane. Due to the central role of active membrane transport there is considerable interest in deciphering the principles of one of the most fundamental processes in nature: the alternating access mechanism.   This book brings together particularly significant structure-function studies on a variety of carrier systems from different transporter families: Glutamate symporters, LeuT-like fold transporters, MFS transporters and SMR (RND) exporters, as well as ABC-type importers.   The selected examples im...

  5. Transport properties of electrons in fractal magnetic-barrier structures

    Science.gov (United States)

    Sun, Lifeng; Fang, Chao; Guo, Yong

    2010-09-01

    Quantum transport properties in fractal magnetically modulated structures are studied by the transfer-matrix method. It is found that the transmission spectra depend sensitively not only on the incident energy and the direction of the wave vector but also on the stage of the fractal structures. Resonance splitting, enhancement, and position shift of the resonance peaks under different magnetic modulation are observed at four different fractal stages, and the relationship between the conductance in the fractal structure and magnetic modulation is also revealed. The results indicate the spectra of the transmission can be considered as fingerprints for the fractal structures, which show the subtle correspondence between magnetic structures and transport behaviors.

  6. A Basic Consideration on Urban Structure Analysis for Transportation Planning

    OpenAIRE

    本多, 義明; 加藤, 哲男; 稲葉, 隆夫

    1983-01-01

    1n this paper,using the method of FACTOR ANALYS1S, urban structure analysis for transportation planning is considered. Study areas are Fukui city, Takefu city and Obama city. From thisanalysis,planning informations are obtained for prior analysis of usual transportation planning.

  7. Structure, Ion Transport, and Rheology of Nanoparticle Salts

    KAUST Repository

    Wen, Yu Ho; Lu, Yingying; Dobosz, Kerianne M.; Archer, Lynden A.

    2014-01-01

    particles into medium and high dielectric constant liquids yields electrolytes with unique structure and transport properties. We find that electrostatic repulsion imparted by ion dissociation can be tuned to control the dispersion state and rheology through

  8. Handbook for structural analysis of radioactive material transport casks

    International Nuclear Information System (INIS)

    Ikushima, Takeshi

    1991-04-01

    This paper described structural analysis method of radioactive material transport casks for use of a handbook of safety analysis and evaluation. Safety analysis conditions, computer codes for analyses and stress evaluation method are also involved in the handbook. (author)

  9. A Glimpse of Membrane Transport through Structures-Advances in the Structural Biology of the GLUT Glucose Transporters.

    Science.gov (United States)

    Yan, Nieng

    2017-08-18

    The cellular uptake of glucose is an essential physiological process, and movement of glucose across biological membranes requires specialized transporters. The major facilitator superfamily glucose transporters GLUTs, encoded by the SLC2A genes, have been a paradigm for functional, mechanistic, and structural understanding of solute transport in the past century. This review starts with a glimpse into the structural biology of membrane proteins and particularly membrane transport proteins, enumerating the landmark structures in the past 25years. The recent breakthrough in the structural elucidation of GLUTs is then elaborated following a brief overview of the research history of these archetypal transporters, their functional specificity, and physiological and pathophysiological significances. Structures of GLUT1, GLUT3, and GLUT5 in distinct transport and/or ligand-binding states reveal detailed mechanisms of the alternating access transport cycle and substrate recognition, and thus illuminate a path by which structure-based drug design may be applied to help discover novel therapeutics against several debilitating human diseases associated with GLUT malfunction and/or misregulation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Membrane Transporters: Structure, Function and Targets for Drug Design

    Science.gov (United States)

    Ravna, Aina W.; Sager, Georg; Dahl, Svein G.; Sylte, Ingebrigt

    Current therapeutic drugs act on four main types of molecular targets: enzymes, receptors, ion channels and transporters, among which a major part (60-70%) are membrane proteins. This review discusses the molecular structures and potential impact of membrane transporter proteins on new drug discovery. The three-dimensional (3D) molecular structure of a protein contains information about the active site and possible ligand binding, and about evolutionary relationships within the protein family. Transporters have a recognition site for a particular substrate, which may be used as a target for drugs inhibiting the transporter or acting as a false substrate. Three groups of transporters have particular interest as drug targets: the major facilitator superfamily, which includes almost 4000 different proteins transporting sugars, polyols, drugs, neurotransmitters, metabolites, amino acids, peptides, organic and inorganic anions and many other substrates; the ATP-binding cassette superfamily, which plays an important role in multidrug resistance in cancer chemotherapy; and the neurotransmitter:sodium symporter family, which includes the molecular targets for some of the most widely used psychotropic drugs. Recent technical advances have increased the number of known 3D structures of membrane transporters, and demonstrated that they form a divergent group of proteins with large conformational flexibility which facilitates transport of the substrate.

  11. Structure, mechanism and cooperation of bacterial multidrug transporters.

    Science.gov (United States)

    Du, Dijun; van Veen, Hendrik W; Murakami, Satoshi; Pos, Klaas M; Luisi, Ben F

    2015-08-01

    Cells from all domains of life encode energy-dependent trans-membrane transporters that can expel harmful substances including clinically applied therapeutic agents. As a collective body, these transporters perform as a super-system that confers tolerance to an enormous range of harmful compounds and consequently aid survival in hazardous environments. In the Gram-negative bacteria, some of these transporters serve as energy-transducing components of tripartite assemblies that actively efflux drugs and other harmful compounds, as well as deliver virulence agents across the entire cell envelope. We draw together recent structural and functional data to present the current models for the transport mechanisms for the main classes of multi-drug transporters and their higher-order assemblies. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

  12. Structure of a Eukaryotic CLC Transporter Defines an Intermediate State in the Transport Cycle

    International Nuclear Information System (INIS)

    Feng, Liang; Campbell, Ernest B.; Hsiung, Yichun; MacKinnon, Roderick

    2010-01-01

    CLC proteins transport chloride (Cl - ) ions across cell membranes to control the electrical potential of muscle cells, transfer electrolytes across epithelia, and control the pH and electrolyte composition of intracellular organelles. Some members of this protein family are Cl - ion channels, whereas others are secondary active transporters that exchange Cl - ions and protons (H + ) with a 2:1 stoichiometry. We have determined the structure of a eukaryotic CLC transporter at 3.5 angstrom resolution. Cytoplasmic cystathionine beta-synthase (CBS) domains are strategically positioned to regulate the ion-transport pathway, and many disease-causing mutations in human CLCs reside on the CBS-transmembrane interface. Comparison with prokaryotic CLC shows that a gating glutamate residue changes conformation and suggests a basis for 2:1 Cl - /H + exchange and a simple mechanistic connection between CLC channels and transporters.

  13. Structure of a eukaryotic CLC transporter defines an intermediate state in the transport cycle

    Science.gov (United States)

    Feng, Liang; Campbell, Ernest B.; Hsiung, Yichun; MacKinnon, Roderick

    2011-01-01

    CLC proteins transport Cl− ions across cell membranes to control the electrical potential of muscle cells, transfer electrolytes across epithelia, and control the pH and electrolyte composition of intracellular organelles. Some members of this protein family are Cl− ion channels, while others are secondary active transporters that exchange Cl− ions and H+ with a 2:1 stoichiometry. We have determined the structure of a eukaryotic CLC transporter at 3.5 Å resolution. Cytoplasmic CBS domains are strategically positioned to regulate the ion transport pathway, and many disease-causing mutations in human CLCs reside on the CBS-transmembrane interface. Comparison with prokaryotic CLC shows that a gating glutamate changes conformation and suggests a basis for 2:1 Cl−/H+ exchange and a simple mechanistic connection between CLC channels and transporters. PMID:20929736

  14. Transport and Thermohaline Structure in the Western Tropical North Pacific

    Science.gov (United States)

    Schonau, Martha Coakley

    Transport and thermohaline structure of water masses and their respective variability are observed and modeled in the western tropical North Pacific using autonomous underwater gliders, Argo climatology and a numerical ocean state estimate. The North Equatorial Current (NEC) advects subtropical and subpolar water masses into the region that are transported equatorward by the Mindanao Current (MC). Continuous glider observations of these two currents from June 2009 to December 2013 provide absolute geostrophic velocity, water mass structure, and transport. The observations are compared to Argo climatology (Roemmich and Gilson, 2009), wind and precipitation to assess forcing, and annual and interannual variability. Observations are assimilated into a regional ocean state estimate (1/6°) to examine regional transport variability and its relationship to the El Nino-Southern Oscillation phenomena (ENSO). The NEC, described in Chapter 1, is observed along 134.3°E, from 8.5°N to 16.5°N. NEC thermocline transport is relatively constant, with a variable subthermocline transport that is distinguished by countercurrents centered at 9.6°N and 13.1°N. Correlation between thermocline and subthermocline transport is strong. Isopycnals with subducted water masses, the North Pacific Tropical Water and North Pacific Intermediate Water, have the greatest fine-scale thermohaline variance. The NEC advects water masses into the MC, described in Chapter 2, that flows equatorward along the coast of Mindanao. Gliders observed the MC at a mean latitude of 8.5°N. The Mindanao Undercurrent (MUC) persists in the subthermocline offshore of the MC, with a net poleward transport of intermediate water typical of South Pacific origin. The variable subthermocline transport in the MC/MUC has an inverse linear relationship with the Nino 3.4 index and strongly impacts total transport variability. For each the MC and NEC, surface salinity and thermocline depth have a strong relationship with ENSO

  15. On structural inelasticity of modal substitution in freight transport

    DEFF Research Database (Denmark)

    Rich, Jeppe; Kveiborg, Ole; Overgård, Christian Hansen

    2011-01-01

    alternative available. The paper investigates the magnitude of this ‘‘structural inelasticity” of modal substitution in freight transport due to a sparser layout of rail and ship-based freight networks compared to road. In the analysis we use a recent Scandinavian freight demand model covering more than 800...... zones. We find that the structural inelasticity is very significant – in particular for transportation over less than 500 km. Moreover, the inelasticity varies greatly with commodity groups and between OD pairs, and it depends strongly on the port and rail infrastructure. The results suggest that pure...

  16. Structural Evaluation on HIC Transport Packaging under Accident Conditions

    International Nuclear Information System (INIS)

    Chung, Sung Hwan; Kim, Duck Hoi; Jung, Jin Se; Yang, Ke Hyung; Lee, Heung Young

    2005-01-01

    HIC transport packaging to transport a high integrity container(HIC) containing dry spent resin generated from nuclear power plants is to comply with the regulatory requirements of Korea and IAEA for Type B packaging due to the high radioactivity of the content, and to maintain the structural integrity under normal and accident conditions. It must withstand 9 m free drop impact onto an unyielding surface and 1 m drop impact onto a mild steel bar in a position causing maximum damage. For the conceptual design of a cylindrical HIC transport package, three dimensional dynamic structural analysis to ensure that the integrity of the package is maintained under all credible loads for 9 m free drop and 1 m puncture conditions were carried out using ABAQUS code.

  17. Synthesis, structure, thermal, transport and magnetic properties of VN ceramics

    Czech Academy of Sciences Publication Activity Database

    Huber, Š.; Jankovský, O.; Sedmidubský, D.; Luxa, J.; Klimová, K.; Hejtmánek, Jiří; Sofer, Z.

    2016-01-01

    Roč. 42, č. 16 (2016), s. 18779-18784 ISSN 0272-8842 R&D Projects: GA ČR GA13-20507S Institutional support: RVO:68378271 Keywords : vanadium mononitride * phase transition * electronic structure * heat capacity * transport properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.986, year: 2016

  18. Structure-function relationships in sapwood water transport and storage.

    Science.gov (United States)

    Barbara L. Gartner; Frederick C. Meinzer

    2005-01-01

    Primary production by plants requires the loss of substantial quantities of water when the stomata are open for carbon assimilation. The delivery of that water to the leaves occurs through the xylem. The structure, condition, and quantity of the xylem control not only the transport efficiency but also the release of water from storage. For example, if there is high...

  19. Design Function and Structure of a Monomeric CLC Transporter

    Energy Technology Data Exchange (ETDEWEB)

    L Robertson; L Kolmakova-Partensky; C Miller

    2011-12-31

    Channels and transporters of the ClC family cause the transmembrane movement of inorganic anions in service of a variety of biological tasks, from the unusual - the generation of the kilowatt pulses with which electric fish stun their prey - to the quotidian - the acidification of endosomes, vacuoles and lysosomes. The homodimeric architecture of ClC proteins, initially inferred from single-molecule studies of an elasmobranch Cl{sup -} channel and later confirmed by crystal structures of bacterial Cl{sup -}/H{sup +} antiporters, is apparently universal. Moreover, the basic machinery that enables ion movement through these proteins - the aqueous pores for anion diffusion in the channels and the ion-coupling chambers that coordinate Cl{sup -} and H{sup +} antiport in the transporters - are contained wholly within each subunit of the homodimer. The near-normal function of a bacterial ClC transporter straitjacketed by covalent crosslinks across the dimer interface and the behaviour of a concatemeric human homologue argue that the transport cycle resides within each subunit and does not require rigid-body rearrangements between subunits. However, this evidence is only inferential, and because examples are known in which quaternary rearrangements of extramembrane ClC domains that contribute to dimerization modulate transport activity, we cannot declare as definitive a 'parallel-pathways picture in which the homodimer consists of two single-subunit transporters operating independently. A strong prediction of such a view is that it should in principle be possible to obtain a monomeric ClC. Here we exploit the known structure of a ClC Cl{sup -}/H{sup +} exchanger, ClC-ec1 from Escherichia coli, to design mutants that destabilize the dimer interface while preserving both the structure and the transport function of individual subunits. The results demonstrate that the ClC subunit alone is the basic functional unit for transport and that cross-subunit interaction is not

  20. Space Transportation Materials and Structures Technology Workshop. Volume 2: Proceedings

    International Nuclear Information System (INIS)

    Cazier, F.W. Jr.; Gardner, J.E.

    1993-02-01

    The Space Transportation Materials and Structures Technology Workshop was held on September 23-26, 1991, in Newport News, Virginia. The workshop, sponsored by the NASA Office of Space Flight and the NASA Office of Aeronautics and Space Technology, was held to provide a forum for communication within the space materials and structures technology developer and user communities. Workshop participants were organized into a Vehicle Technology Requirements session and three working panels: Materials and Structures Technologies for Vehicle Systems, Propulsion Systems, and Entry Systems. Separate abstracts have been prepared for papers in this report

  1. Cosmic-Ray Transport in Heliospheric Magnetic Structures. II. Modeling Particle Transport through Corotating Interaction Regions

    Energy Technology Data Exchange (ETDEWEB)

    Kopp, Andreas [Université Libre de Bruxelles, Service de Physique Statistique et des Plasmas, CP 231, B-1050 Brussels (Belgium); Wiengarten, Tobias; Fichtner, Horst [Institut für Theoretische Physik IV, Ruhr-Universität Bochum, D-44780 Bochum (Germany); Effenberger, Frederic [Department of Physics and KIPAC, Stanford University, Stanford, CA 94305 (United States); Kühl, Patrick; Heber, Bernd [Institut für Experimentelle und Angewandte Physik, Christian-Albrecht-Universität zu Kiel, D-24098 Kiel (Germany); Raath, Jan-Louis; Potgieter, Marius S. [Centre for Space Research, North-West University, 2520 Potchefstroom (South Africa)

    2017-03-01

    The transport of cosmic rays (CRs) in the heliosphere is determined by the properties of the solar wind plasma. The heliospheric plasma environment has been probed by spacecraft for decades and provides a unique opportunity for testing transport theories. Of particular interest for the three-dimensional (3D) heliospheric CR transport are structures such as corotating interaction regions (CIRs), which, due to the enhancement of the magnetic field strength and magnetic fluctuations within and due to the associated shocks as well as stream interfaces, do influence the CR diffusion and drift. In a three-fold series of papers, we investigate these effects by modeling inner-heliospheric solar wind conditions with the numerical magnetohydrodynamic (MHD) framework Cronos (Wiengarten et al., referred as Paper I), and the results serve as input to a transport code employing a stochastic differential equation approach (this paper). While, in Paper I, we presented results from 3D simulations with Cronos, the MHD output is now taken as an input to the CR transport modeling. We discuss the diffusion and drift behavior of Galactic cosmic rays using the example of different theories, and study the effects of CIRs on these transport processes. In particular, we point out the wide range of possible particle fluxes at a given point in space resulting from these different theories. The restriction of this variety by fitting the numerical results to spacecraft data will be the subject of the third paper of this series.

  2. Electronic structure and charge transport in nonstoichiometric tantalum oxide

    Science.gov (United States)

    Perevalov, T. V.; Gritsenko, V. A.; Gismatulin, A. A.; Voronkovskii, V. A.; Gerasimova, A. K.; Aliev, V. Sh; Prosvirin, I. A.

    2018-06-01

    The atomic and electronic structure of nonstoichiometric oxygen-deficient tantalum oxide TaO x<2.5 grown by ion beam sputtering deposition was studied. The TaO x film content was analyzed by x-ray photoelectron spectroscopy and by quantum-chemistry simulation. TaO x is composed of Ta2O5, metallic tantalum clusters and tantalum suboxides. A method for evaluating the stoichiometry parameter of TaO x from the comparison of experimental and theoretical photoelectron valence band spectra is proposed. The charge transport properties of TaO x were experimentally studied and the transport mechanism was quantitatively analyzed with four theoretical dielectric conductivity models. It was found that the charge transport in almost stoichiometric and nonstoichiometric tantalum oxide can be consistently described by the phonon-assisted tunneling between traps.

  3. Connections between transport in events and transport at landscape-structuring timescales

    Science.gov (United States)

    Harman, C. J.; Lohse, K. A.; Troch, P. A.; Sivapalan, M.

    2012-12-01

    Complex spatial and temporal variability can arise in the critical zone when feedbacks occur at multiple time scales between transported materials and the landscape and soils through which it is transported. This is clearly illustrated where geomorphic transport processes, soil development, and vegetation interact in semi-arid shrublands. Here we use soil and terrain data and a numerical model of overland flow on semi-arid hillslopes to show that microtopography can generate spatial variations in the dominance of transport processes operating at different timescales, with consequences for the direction of resource redistribution between functional units within these ecosystems. Conceptual and numerical models of the redistribution of mineral, organic and water have mostly been developed on low-gradient alluvial fans and pediments. These have focused on the fluvial transport of resources from the inter-spaces between shrub canopies to the areas below the canopy in those few storm events that generate significant run-off. These processes are believed to produce a mosaic of resource islands in which biota are concentrated. We investigated the spatial distribution of soil properties (including organic matter and soil hydraulic properties), vegetation, and microtopography on two steeper hillslopes of contrasting lithology (one granite, one schist) in the Sonoran desert foothills of the Catalina Mountains. Three hypotheses were developed through iteration between fieldwork and data analysis. These tested whether there were significant differences in soil composition and hydraulic properties below- and between-canopy, whether the surface soil organic matter was directly associated with above-ground biomass, and whether soil organic matter distributions measured along transects below shrubs showed downslope asymmetries indicative of the processes that create them. Data from these sites were used in a numerical model to investigate how these structures could be related to

  4. Oxygen transport as a structure probe for heterogeneous polymeric systems

    Science.gov (United States)

    Hu, Yushan

    Although permeability of small molecules is often measured as an important performance property, deeper analysis of the transport characteristics provides insight into polymer structure, especially if used in combination with other characterization techniques. Transport of small gas molecules senses the permeable amorphous structure and probes the nature of free volume. This work focuses on oxygen transport, supplemented with other methods of physical analysis, as a probe for: (1) the nature of free volume and crystalline morphology in the crystallized glassy state, (2) the nature of free volume and hierarchical structure in liquid crystalline polymers, and (3) the role of dispersed polyamide phase geometry on oxygen barrier properties of poly(ethylene terephthalate) (PET)/polyamide blends. In the first part, the improvement in oxygen-barrier properties of glassy polyesters by crystallization was examined. Examples included poly(ethylene naphthalate) (PEN), and a copolymer based on PET in which 55 mol% terephthalate was replaced with 4,4'-bibenzoate. Explanation of the unexpectedly high solubility of crystallized PEN required a two-phase transport model consisting of an impermeable crystalline phase of constant density and a permeable amorphous phase of variable density. The resulting relationship between oxygen solubility and amorphous phase density was consistent with free volume concepts of gas sorption. In the second part, oxygen barrier properties of liquid crystalline (LC) polyesters based on poly(diethylene glycol 4,4'-bibenzoate) (PDEGBB) were studied. This study extended the 2-phase transport model for oxygen transport of non-LC crystalline polymers to a smectic LCP. It was possible to systematically vary the solid state structure of (PDEGBB) from LC glass to crystallized LC glass. The results were consistent with a liquid crystalline state intermediate between the permeable amorphous glass and the impermeable 3-dimensional crystal. In this interpretation

  5. Structural Health Monitoring of Transport Aircraft with Fuzzy Logic Modeling

    Directory of Open Access Journals (Sweden)

    Ray C. Chang

    2013-01-01

    Full Text Available A structural health monitoring method based on the concept of static aeroelasticity is presented in this paper. This paper focuses on the estimation of these aeroelastic effects on older transport aircraft, in particular the structural components that are most affected, in severe atmospheric turbulence. Because the structural flexibility properties are mostly unknown to aircraft operators, only the trend, not the magnitude, of these effects is estimated. For this purpose, one useful concept in static aeroelastic effects for conventional aircraft structures is that under aeroelastic deformation the aerodynamic center should move aft. This concept is applied in the present paper by using the fuzzy-logic aerodynamic models. A twin-jet transport aircraft in severe atmospheric turbulence involving plunging motion is examined. It is found that the pitching moment derivatives in cruise with moderate to severe turbulence in transonic flight indicate some degree of abnormality in the stabilizer (i.e., the horizontal tail. Therefore, the horizontal tail is the most severely affected structural component of the aircraft probably caused by vibration under the dynamic loads induced by turbulence.

  6. Particle transport across a circular shear layer with coherent structures

    International Nuclear Information System (INIS)

    Nielsen, A.H.; Lynov, J.P.; Juul Rasmussen, J.

    1998-01-01

    In the study of the dynamics of coherent structures, forced circular shear flows offer many desirable features. The inherent quantisation of circular geometries due to the periodic boundary conditions makes it possible to design experiments in which the spatial and temporal complexity of the coherent structures can be accurately controlled. Experiments on circular shear flows demonstrating the formation of coherent structures have been performed in different physical systems, including quasi-neutral plasmas, non-neutral plasmas and rotating fluids. In this paper we investigate the evolution of such coherent structures by solving the forced incompressible Navier-Stokes equations numerically using a spectral code. The model is formulated in the context of a rotating fluid but apply equally well to low frequency electrostatic oscillations in a homogeneous magnetized plasma. In order to reveal the Lagrangian properties of the flow and in particular to investigate the transport capacity in the shear layer, passive particles are traced by the velocity field. (orig.)

  7. Structural properties of the Chinese air transportation multilayer network

    International Nuclear Information System (INIS)

    Hong, Chen; Zhang, Jun; Cao, Xian-Bin; Du, Wen-Bo

    2016-01-01

    Highlights: • We investigate the structural properties of the Chinese air transportation multilayer network (ATMN). • We compare two main types of layers corresponding to major and low-cost airlines. • It is found that small-world property and rich-club effect of the Chinese ATMN are mainly caused by major airlines. - Abstract: Recently multilayer networks are attracting great attention because the properties of many real-world systems cannot be well understood without considering their different layers. In this paper, we investigate the structural properties of the Chinese air transportation multilayer network (ATMN) by progressively merging layers together, where each commercial airline (company) defines a layer. The results show that the high clustering coefficient, short characteristic path length and large collection of reachable destinations of the Chinese ATMN can only emerge when several layers are merged together. Moreover, we compare two main types of layers corresponding to major and low-cost airlines. It is found that the small-world property and the rich-club effect of the Chinese ATMN are mainly caused by those layers corresponding to major airlines. Our work will highlight a better understanding of the Chinese air transportation network.

  8. Structural and robustness properties of smart-city transportation networks

    Science.gov (United States)

    Zhang, Zhen-Gang; Ding, Zhuo; Fan, Jing-Fang; Meng, Jun; Ding, Yi-Min; Ye, Fang-Fu; Chen, Xiao-Song

    2015-09-01

    The concept of smart city gives an excellent resolution to construct and develop modern cities, and also demands infrastructure construction. How to build a safe, stable, and highly efficient public transportation system becomes an important topic in the process of city construction. In this work, we study the structural and robustness properties of transportation networks and their sub-networks. We introduce a complementary network model to study the relevance and complementarity between bus network and subway network. Our numerical results show that the mutual supplement of networks can improve the network robustness. This conclusion provides a theoretical basis for the construction of public traffic networks, and it also supports reasonable operation of managing smart cities. Project supported by the Major Projects of the China National Social Science Fund (Grant No. 11 & ZD154).

  9. Structural and robustness properties of smart-city transportation networks

    International Nuclear Information System (INIS)

    Zhang Zhen-Gang; Ding Zhuo; Fan Jing-Fang; Chen Xiao-Song; Meng Jun; Ye Fang-Fu; Ding Yi-Min

    2015-01-01

    The concept of smart city gives an excellent resolution to construct and develop modern cities, and also demands infrastructure construction. How to build a safe, stable, and highly efficient public transportation system becomes an important topic in the process of city construction. In this work, we study the structural and robustness properties of transportation networks and their sub-networks. We introduce a complementary network model to study the relevance and complementarity between bus network and subway network. Our numerical results show that the mutual supplement of networks can improve the network robustness. This conclusion provides a theoretical basis for the construction of public traffic networks, and it also supports reasonable operation of managing smart cities. (rapid communication)

  10. Basic materials and structures aspects for hypersonic transport vehicles (HTV)

    Science.gov (United States)

    Steinheil, E.; Uhse, W.

    A Mach 5 transport design is used to illustrate structural concepts and criteria for materials selections and also key technologies that must be followed in the areas of computational methods, materials and construction methods. Aside from the primary criteria of low weight, low costs, and conceivable risks, a number of additional requirements must be met, including stiffness and strength, corrosion resistance, durability, and a construction adequate for inspection, maintenance and repair. Current aircraft construction requirements are significantly extended for hypersonic vehicles. Additional consideration is given to long-duration temperature resistance of the airframe structure, the integration of large-volume cryogenic fuel tanks, computational tools, structural design, polymer matrix composites, and advanced manufacturing technologies.

  11. Research on Community Structure in Bus Transport Networks

    International Nuclear Information System (INIS)

    Yang Xuhua; Wang Bo; Sun Youxian

    2009-01-01

    We abstract the bus transport networks (BTNs) to two kinds of complex networks with space L and space P methods respectively. Using improved community detecting algorithm (PKM agglomerative algorithm), we analyze the community property of two kinds of BTNs graphs. The results show that the BTNs graph described with space L method have obvious community property, but the other kind of BTNs graph described with space P method have not. The reason is that the BTNs graph described with space P method have the intense overlapping community property and general community division algorithms can not identify this kind of community structure. To overcome this problem, we propose a novel community structure called N-depth community and present a corresponding community detecting algorithm, which can detect overlapping community. Applying the novel community structure and detecting algorithm to a BTN evolution model described with space P, whose network property agrees well with real BTNs', we get obvious community property. (general)

  12. Charge carrier transport properties in layer structured hexagonal boron nitride

    Directory of Open Access Journals (Sweden)

    T. C. Doan

    2014-10-01

    Full Text Available Due to its large in-plane thermal conductivity, high temperature and chemical stability, large energy band gap (˜ 6.4 eV, hexagonal boron nitride (hBN has emerged as an important material for applications in deep ultraviolet photonic devices. Among the members of the III-nitride material system, hBN is the least studied and understood. The study of the electrical transport properties of hBN is of utmost importance with a view to realizing practical device applications. Wafer-scale hBN epilayers have been successfully synthesized by metal organic chemical deposition and their electrical transport properties have been probed by variable temperature Hall effect measurements. The results demonstrate that undoped hBN is a semiconductor exhibiting weak p-type at high temperatures (> 700 °K. The measured acceptor energy level is about 0.68 eV above the valence band. In contrast to the electrical transport properties of traditional III-nitride wide bandgap semiconductors, the temperature dependence of the hole mobility in hBN can be described by the form of μ ∝ (T/T0−α with α = 3.02, satisfying the two-dimensional (2D carrier transport limit dominated by the polar optical phonon scattering. This behavior is a direct consequence of the fact that hBN is a layer structured material. The optical phonon energy deduced from the temperature dependence of the hole mobility is ħω = 192 meV (or 1546 cm-1, which is consistent with values previously obtained using other techniques. The present results extend our understanding of the charge carrier transport properties beyond the traditional III-nitride semiconductors.

  13. Simulation of chloride transport based description soil structure

    International Nuclear Information System (INIS)

    Mahmood-ul-Hassan, M.; Akhtar, M.S.; Gill, S.M.; Nabi, G.

    2003-01-01

    There is a need of environmental implications of rapid appearance of surface by applying chemical at depths below the vadose zone (tile line or shallow groundwater) for developing better insight into solute flow mechanism through the arable lands. Transport of chloride, a representative non-adsorbing solute, through a moderately structured silty clay loam soil (Gujranwala series, Typic Ustochrepts) and an un-structured sandy loam soil (Nabipur series, Typic Camborthid) was characterized and two existing models viz. convection dispersion equation (CDE) and preferential flow models were tested. The flux average of solute concentration in the outflow as a function of cumulative drainage was fitted to the models. The CDE fitted, relatively, better in the non-structured soil than in the moderately structured soil. Dispersivity value determined by CDE was very high for the structured soil which is physically not possible. The preferential flow model fitted well in the Gujranwala soil, but not in the Nabipur soil. The breakthrough characteristics i.e. drainage to peak concentration (Dp), symmetry coefficient (SC), skewness, and kurtosis were compared. Chloride breakthrough was earlier than expected based on piston flow. It indicated preferential flow in both the soils, yet, immediate appearance of the tracer in the Gujranwala soil demonstrated even larger magnitude of the preferential flow. Breakthrough curves' parameters indicated a large amount of the solute movement through the preferred pathways by passing the soil matrix in the Gujranwala soil. The study suggests that some soil structure parameters (size/shape and degree of aggregation) should be incorporated in the solute transport models.(author)

  14. CLC Chloride Channels and Transporters: Structure, Function, Physiology, and Disease.

    Science.gov (United States)

    Jentsch, Thomas J; Pusch, Michael

    2018-07-01

    CLC anion transporters are found in all phyla and form a gene family of eight members in mammals. Two CLC proteins, each of which completely contains an ion translocation parthway, assemble to homo- or heteromeric dimers that sometimes require accessory β-subunits for function. CLC proteins come in two flavors: anion channels and anion/proton exchangers. Structures of these two CLC protein classes are surprisingly similar. Extensive structure-function analysis identified residues involved in ion permeation, anion-proton coupling and gating and led to attractive biophysical models. In mammals, ClC-1, -2, -Ka/-Kb are plasma membrane Cl - channels, whereas ClC-3 through ClC-7 are 2Cl - /H + -exchangers in endolysosomal membranes. Biological roles of CLCs were mostly studied in mammals, but also in plants and model organisms like yeast and Caenorhabditis elegans. CLC Cl - channels have roles in the control of electrical excitability, extra- and intracellular ion homeostasis, and transepithelial transport, whereas anion/proton exchangers influence vesicular ion composition and impinge on endocytosis and lysosomal function. The surprisingly diverse roles of CLCs are highlighted by human and mouse disorders elicited by mutations in their genes. These pathologies include neurodegeneration, leukodystrophy, mental retardation, deafness, blindness, myotonia, hyperaldosteronism, renal salt loss, proteinuria, kidney stones, male infertility, and osteopetrosis. In this review, emphasis is laid on biophysical structure-function analysis and on the cell biological and organismal roles of mammalian CLCs and their role in disease.

  15. Electronic Structure and Transport in Solids from First Principles

    Science.gov (United States)

    Mustafa, Jamal Ibrahim

    The focus of this dissertation is the determination of the electronic structure and trans- port properties of solids. We first review some of the theory and computational methodology used in the calculation of electronic structure and materials properties. Throughout the dissertation, we make extensive use of state-of-the-art software packages that implement density functional theory, density functional perturbation theory, and the GW approximation, in addition to specialized methods for interpolating matrix elements for extremely accurate results. The first application of the computational framework introduced is the determination of band offsets in semiconductor heterojunctions using a theory of quantum dipoles at the interface. This method is applied to the case of heterojunction formed between a new metastable phase of silicon, with a rhombohedral structure, and cubic silicon. Next, we introduce a novel method for the construction of localized Wannier functions, which we have named the optimized projection functions method (OPFM). We illustrate the method on a variety of systems and find that it can reliably construct localized Wannier functions with minimal user intervention. We further develop the OPFM to investigate a class of materials called topological insulators, which are insulating in the bulk but have conductive surface states. These properties are a result of a nontrivial topology in their band structure, which has interesting effects on the character of the Wannier functions. In the last sections of the main text, the noble metals are studied in great detail, including their electronic properties and carrier dynamics. In particular, we investigate, the Fermi surface properties of the noble metals, specifically electron-phonon scattering lifetimes, and subsequently the transport properties determined by carriers on the Fermi surface. To achieve this, a novel sampling technique is developed, with wide applicability to transport calculations

  16. Contact-handled transuranic transportation system structural analysis

    International Nuclear Information System (INIS)

    Lamoreaux, G.H.; Romesberg, L.E.; Sutherland, S.H.; Duffey, T.A.

    1980-01-01

    The Transuranic Package Transporter (TRUPACT) is a Type B overpack being developed for contact-handled transuranic waste. End-on, side-on, and corner impacts of the loaded TRUPACT due to a 9 m drop onto an unyielding surface have been analyzed. In each case the analyses progressed from simplified hand approaches to successively more complex finite element calculations. The first analysis of each series represents the hand calculations which were carried out to obtain initial thicknesses of foam. The remaining analyses were performed using the dynamic and nonlinear analysis capabilities of ADINA, a structural analysis finite element computer program

  17. Anomalous transport in itinerant metamagnets with structural disorder

    International Nuclear Information System (INIS)

    Burkov, A.T.; Zyuzin, A.Yu.; Nakama, T.; Takaesu, Y.; Takeda, M.; Yagasaki, K.

    2007-01-01

    We report on low-temperature transport in magnetic conductors with structural disorder. The primary motivation for this work was large positive magnetoresistance (MR) found in magnetically ordered ground state of some itinerant metamagnetic alloys. The positive MR suggests that external magnetic field enhances static magnetic disorder δM->(r->)=M->(r->,T,H->)- (r->,T,H->)>, whereas standard approach assumes suppression of magnetic fluctuations by external magnetic field as a source of negative MR. We review the relevant experimental data, mostly the properties of RCo 2 -based alloys and discuss a phenomenological model developed for the interpretation of the experimental results. This model includes new mechanism of magnetoresistivity in structurally disordered itinerant metamagnetic alloys

  18. Simulating liquid water for determining its structural and transport properties

    International Nuclear Information System (INIS)

    Arismendi-Arrieta, Daniel; Medina, Juan S.; Fanourgakis, George S.; Prosmiti, Rita; Delgado-Barrio, Gerardo

    2014-01-01

    Molecular dynamics simulations are carried out for calculating structural and transport properties of pure liquid water, such as radial distribution functions and self-diffusion and viscosity coefficients, respectively. We employed reparameterized versions of the ab initio water potential by Niesar, Clementi and Corongiu (NCC). In order to investigate the role of the electrostatic contribution, the partial charges of the NCC model are adjusted so that to reproduce the dipole moment values of the SPC/E, SPC/Fw and TIP4P/2005 water models. The single and collective transport coefficients are obtained by employing the Green–Kubo relations at various temperatures. Additionally, in order to overcome convergence difficulties arising from the long correlation times of the stress-tensor autocorrelation functions, a previously reported fitting scheme was employed. The present results indicate that there is a significant relationship between the dipole moment value of the model, and the calculated transport coefficients. We found that by adjusting the molecular dipole moment of the NCC to the value of the TIP4P/2005, the obtained values for the self-diffusion and viscosity coefficients are in better agreement with experiment, compared to the values obtained with the original NCC model. Even though the predictions of the present model exhibits an overall correct behavior, we conclude that further improvements are still required. In order to achieve that, a careful reparameterization of the repulsion–dispersion terms of the potential model is proposed. Also, the effect of the inclusion of many-body effects such as polarizability, should also be investigated. - Highlights: ► Transport properties of liquid water are important in bio-simulations. ► Self-diffusion coefficient, shear and bulk viscosities calculations from NVE molecular dynamics simulations. ► Their comparison with experimental data provides information on intermolecular forces, and serve to develop water

  19. Structure, Ion Transport, and Rheology of Nanoparticle Salts

    KAUST Repository

    Wen, Yu Ho

    2014-07-08

    Above a critical surface chemistry-dependent particle loading associated with nanoscale interparticle spacing, ligand-ligand interactions-both electrostatic and steric-come into play and govern the structure and dynamics of charged oligomer-functionalized nanoparticle suspensions. We report in particular on the structure, ion transport, and rheology of suspensions of nanoparticle salts created by cofunctionalization of silica particles with tethered sulfonate salts and oligomers. Dispersion of the hairy ionic particles into medium and high dielectric constant liquids yields electrolytes with unique structure and transport properties. We find that electrostatic repulsion imparted by ion dissociation can be tuned to control the dispersion state and rheology through counterion size (i.e., Li+, Na+, and K+) and dielectric properties of the dispersing medium. Analysis of small-angle X-ray scattering (SAXS) structure factors and the mechanical modulus shows that when the interparticle spacing approaches nanometer dimensions, weakly entangled anchored ligands experience strong and long-lived topological constraints analogous to those normally found in well-entangled polymeric fluids. This finding provides insight into the molecular origins of the surprisingly similar rubbery plateau moduli observed in hairy nanoparticle suspensions and entangled polymers of the same chemistry as the tethered ligands. Additionally, we find that a time-composition superposition (TCS) principle exists for the suspensions, which can be used to substantially extend the observation time over which dynamics are observed in jammed, soft glassy suspensions. Application of TCS reveals dynamical similarities between the suspensions and entangled solutions of linear polymer chains; i.e., a hairy particle trapped in a cage appears to exhibit analogous dynamics to a long polymer chain confined to a tube. © 2014 American Chemical Society.

  20. Structural basis of transport of lysophospholipids by human serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Shihui; Shi, Xiaoli; Yang, Feng; Chen, Liqing; Meehan, Edward J.; Bian, Chuanbing; Huang, Mingdong; (UAH); (Chinese Aca. Sci.)

    2010-10-08

    Lysophospholipids play important roles in cellular signal transduction and are implicated in many biological processes, including tumorigenesis, angiogenesis, immunity, atherosclerosis, arteriosclerosis, cancer and neuronal survival. The intracellular transport of lysophospholipids is through FA (fatty acid)-binding protein. Lysophospholipids are also found in the extracellular space. However, the transport mechanism of lysophospholipids in the extracellular space is unknown. HSA (human serum albumin) is the most abundant carrier protein in blood plasma and plays an important role in determining the absorption, distribution, metabolism and excretion of drugs. In the present study, LPE (lysophosphatidylethanolamine) was used as the ligand to analyse the interaction of lysophospholipids with HSA by fluorescence quenching and crystallography. Fluorescence measurement showed that LPE binds to HSA with a K{sub d} (dissociation constant) of 5.6 {micro}M. The presence of FA (myristate) decreases this binding affinity (K{sub d} of 12.9 {micro}M). Moreover, we determined the crystal structure of HSA in complex with both myristate and LPE and showed that LPE binds at Sudlow site I located in subdomain IIA. LPE occupies two of the three subsites in Sudlow site I, with the LPE acyl chain occupying the hydrophobic bottom of Sudlow site I and the polar head group located at Sudlow site I entrance region pointing to the solvent. This orientation of LPE in HSA suggests that HSA is capable of accommodating other lysophospholipids and phospholipids. The study provides structural information on HSA-lysophospholipid interaction and may facilitate our understanding of the transport and distribution of lysophospholipids.

  1. Aging Evaluation Programs for Jet Transport Aircraft Structural Integrity

    Directory of Open Access Journals (Sweden)

    Borivoj Galović

    2012-10-01

    Full Text Available The paper deals with criteria and procedures in evaluationof timely preventive maintenance recommendations that willsupport continued safe operation of aging jet transports untiltheir retirement from service. The active service life of commercialaircraft has increased in recent years as a result of low fuelcost, and increasing costs and delivery times for fleet replacements.Air transport industry consensus is that older jet transportswill continue in service despite anticipated substantial increasesin required maintenance. Design concepts, supportedby testing, have worked well due to the system that is used to ensureflying safety. Continuing structural integrity by inspectionand overhaul recommendation above the level contained inmaintenance and service bulletins is additional requirement, insuch cases. Airplane structural safety depends on the performanceof all participants in the system and the responsibility forsafety cannot be delegated to a single participant. This systemhas three major participants: the manufacturers who design,build and support airplanes in service, the airlines who operate,inspect and mantain airplanes and the airworthiness authoritieswho establish rules and regulations, approve the design andpromote airline maintenance performance.

  2. Predicting Reactive Transport Dynamics in Carbonates using Initial Pore Structure

    Science.gov (United States)

    Menke, H. P.; Nunes, J. P. P.; Blunt, M. J.

    2017-12-01

    Understanding rock-fluid interaction at the pore-scale is imperative for accurate predictive modelling of carbon storage permanence. However, coupled reactive transport models are computationally expensive, requiring either a sacrifice of resolution or high performance computing to solve relatively simple geometries. Many recent studies indicate that initial pore structure many be the dominant mechanism in determining the dissolution regime. Here we investigate how well the initial pore structure is predictive of distribution and amount of dissolution during reactive flow using particle tracking on the initial image. Two samples of carbonate rock with varying initial pore space heterogeneity were reacted with reservoir condition CO2-saturated brine and scanned dynamically during reactive flow at a 4-μm resolution between 4 and 40 times using 4D X-ray micro-tomography over the course of 1.5 hours using μ-CT. Flow was modelled on the initial binarized image using a Navier-Stokes solver. Particle tracking was then run on the velocity fields, the streamlines were traced, and the streamline density was calculated both on a voxel-by-voxel and a channel-by-channel basis. The density of streamlines was then compared to the amount of dissolution in subsequent time steps during reaction. It was found that for the flow and transport regimes studied, the streamline density distribution in the initial image accurately predicted the dominant pathways of dissolution and gave good indicators of the type of dissolution regime that would later develop. This work suggests that the eventual reaction-induced changes in pore structure are deterministic rather than stochastic and can be predicted with high resolution imaging of unreacted rock.

  3. Structure and ionic transport studies of sodium borophosphate glassy system

    International Nuclear Information System (INIS)

    Anantha, P.S.; Hariharan, K.

    2005-01-01

    Sodium borophosphate glasses of composition (mol%) 50Na 2 O-50[xB 2 O 3 -(1-x)P 2 O 5 ], 0 ≤ x ≤ 0.8 have been prepared by melt quenching method and characterized through XRD, DSC, FTIR and impedance spectroscopy techniques. The glass transition temperature increases with the substitution of B 2 O 3 due to the cross-linking of the network and the FTIR study shows the presence of different structural units in the network. The ionic conductivity study as a function of composition of B 2 O 3 shows increment in conductivity with two conductivity maxima at 10 and 30 mol% of B 2 O 3 and conductivity variations with temperature follow an Arrhenius type behaviour. Transport numbers evaluated for ions and electrons show that Na + ions are the mobile species in the investigated systems. The frequency dependence of the electric conductivity follows a simple power law feature. The analysis of various electrical parameters as a function of temperature in different complex planes shows that the charge transport occurs by the hopping mechanism

  4. Ionic charge transport in strongly structured molten salts

    International Nuclear Information System (INIS)

    Tatlipinar, H.; Amoruso, M.; Tosi, M.P.

    1999-08-01

    Data on the d.c. ionic conductivity for strongly structured molten halides of divalent and trivalent metals near freezing are interpreted as mainly reflecting charge transport by the halogen ions. On this assumption the Nernst-Einstein relation allows an estimate of the translational diffusion coefficient D tr of the halogen. In at least one case (molten ZnCl 2 ) D tr is much smaller than the measured diffusion coefficient, pointing to substantial diffusion via neutral units. The values of D tr estimated from the Nernst-Einstein relation are analyzed on the basis of a model involving two parameters, i.e. a bond-stretching frequency ω and an average waiting time τ. With the help of Raman scattering data for ω, the values of τ are evaluated and found to mostly lie in the range 0.02 - 0.3 ps for a vast class of materials. (author)

  5. Perovskite solid electrolytes: Structure, transport properties and fuel cell applications

    DEFF Research Database (Denmark)

    Bonanos, N.; Knight, K.S.; Ellis, B.

    1995-01-01

    Doped barium cerate perovskites, first investigated by Iwahara and co-workers, have ionic conductivities of the order of 20 mS/cm at 800 degrees C making them attractive as fuel cell electrolytes for this temperature region. They have been used to construct laboratory scale fuel cells, which...... vapour transfer in a cell in which the perovskite is exposed to wet hydrogen on both sides. The evolution of transport properties with temperature is discussed in relation to structure. Neutron diffraction studies of doped and undoped barium cerate are reported, revealing a series of phase transitions...... between ambient temperature and 1000 degrees C. The available literature on chemical stability of cerate perovskites to reduction and attack by carbon dioxide is reviewed in brief....

  6. Fluid transport due to nonlinear fluid-structure interaction

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard

    1997-01-01

    This work considers nonlinear fluid-structure interaction for a vibrating pipe containing fluid. Transverse pipe vibrations will force the fluid to move relative to the pipe creating unidirectional fluid flow towards the pipe end. The fluid flow induced affects the damping and the stiffness...... of the pipe. The behavior of the system in response to lateral resonant base excitation is analysed numerically and by the use of a perturbation method (multiple scales). Exciting the pipe in the fundamental mode of vibration seems to be most effective for transferring energy from the shaker to the fluid......, whereas higher modes of vibration can be used to transport fluid with pipe vibrations of smaller amplitude. The effect of the nonlinear geometrical terms is analysed and these terms are shown to affect the response for higher modes of vibration. Experimental investigations show good agreement...

  7. Multidrug transporters from bacteria to man : similarities in structure and function

    NARCIS (Netherlands)

    van Veen, HW; Konings, WN

    Organisms ranging from bacteria to man possess transmembrane transporters which confer resistance to toxic corn pounds. Underlining their biological significance, prokaryotic and eukaryotic multidrug transport proteins are very similar in structure and function. Therefore, a study of the factors

  8. Structural and transport properties of Sn-Mg alloys

    International Nuclear Information System (INIS)

    Meydaneri, F.; Saatci, E.; Oezdemir, M.; Ari, M.; Durmus, S.

    2010-01-01

    The structural and temperature dependence transport of Sn-Mg alloys have been investigated for five different samples (Pure Sn, Sn-1.0 wt % Mg , Sn-2.0 wt % Mg , Sn-6.0 wt.% Mg and Pure Mg). Scanning Electron Microscopy (SEM), x-ray diffraction (XRD) and Energy Dispersive x-ray Analysis (EDX) measurements were carried out in order to clarify the structural properties of the samples. It has been found that, the samples have tetragonal crystal symmetry except the pure Mg which has hexagonal crystal symmetry. The cell parameters decrease slightly with addition of Mg element. The SEM micrographs of the samples show that, the samples have smooth surfaces with clear grain boundary. There is no crack, porosity or defects on the surfaces. The electrical resistivity of the samples increases almost linearly with the increasing temperature, which were measured by four-point probe technique. The thermal conductivity values are in between 0.60-1.00 W/Km, which are decrease slightly with temperature and increase with composition of Mg. The thermal conductivity values of the alloys are in between the values of the pure samples. Thermal conductivity results of the alloys have been compared with available other studies and a good agreement has been seen between the results. In addition, the temperature coefficients of electrical resistivity and thermal conductivity have been determined, which are independent with the compositions of alloying elements

  9. Light transport and lasing in complex photonic structures

    Science.gov (United States)

    Liew, Seng Fatt

    theoretical modeling and analysis explains why single scattering of light is dominant over multiple scattering in similar biological structures and is responsible for color generation. In collaboration with evolutionary biologists, we examine how closely-related species and populations of butterflies have evolved their structural color. We have used artificial selection on a lab model butterfly to evolve violet color from an ultra-violet brown color. The same coloration mechanism is found in other blue/violet species that have evolved their color in nature, which implies the same evolution path for their nanostructure. While the absorption of light is ubiquitous in nature and in applications, the question remains how absorption modifies the transmission in random media. Therefore, we numerically study the effects of optical absorption on the highest transmission states in a two-dimensional disordered waveguide. Our results show that strong absorption turns the highest transmission channel in random media from diffusive to ballistic-like transport. Finally, we have demonstrated lasing mode selection in a nearly circular semiconductor microdisk laser by shaping the spatial profile of the pump beam. Despite of strong mode overlap, selective pumping suppresses the competing lasing modes by either increasing their thresholds or reducing their power slopes. As a result, we can switch both the lasing frequency and the output direction. This powerful technique can have potential application as an on-chip tunable light source.

  10. Inventory theory, mode choice and network structure in freight transport

    NARCIS (Netherlands)

    Combes, F.; Tavasszy, L.A.

    2016-01-01

    In passenger transport, hub-and-spoke networks allow the transportation of small passenger flows with competitive frequencies, in a way that direct line networks cannot. Equivalently, in freight transport, it can be expected that small shipper-receiver flows of high added value commodities transit

  11. VvGONST-A and VvGONST-B are Golgi-localised GDP-sugar transporters in grapevine (Vitis vinifera L.).

    Science.gov (United States)

    Utz, Daniella; Handford, Michael

    2015-02-01

    Plant nucleotide-sugar transporters (NSTs) are responsible for the import of nucleotide-sugar substrates into the Golgi lumen, for subsequent use in glycosylation reactions. NSTs are specific for either GDP- or UDP-sugars, and almost all transporters studied to date have been isolated from Arabidopsis thaliana L. In order to determine the conservation of the import mechanism in other higher plant species, here we report the identification and characterisation of VvGONST-A and VvGONST-B from grapevine (Vitis vinifera L. cv. Thompson Seedless), which are the orthologues of the GDP-sugar transporters GONST3 and GONST4 in Arabidopsis. Both grapevine NSTs possess the molecular features characteristic of GDP-sugar transporters, including a GDP-binding domain (GXL/VNK) towards the C-terminal. VvGONST-A and VvGONST-B expression is highest at berry setting and decreases throughout berry development and ripening. Moreover, we show using green fluorescent protein (GFP) tagged versions and brefeldin A treatments, that both are localised in the Golgi apparatus. Additionally, in vitro transport assays after expression of both NSTs in tobacco leaves indicate that VvGONST-A and VvGONST-B are capable of transporting GDP-mannose and GDP-glucose, respectively, but not a range of other UDP- and GDP-sugars. The possible functions of these NSTs in glucomannan synthesis and/or glycosylation of sphingolipids are discussed. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  12. BOOK REVIEW: Transport and Structural Formation in Plasmas

    Science.gov (United States)

    Thyagaraja, A.

    1999-06-01

    The book under review is one of a series of monographs on plasma physics published by the Institute of Physics under the editorship of Peter Stott and Hans Wilhelmsson. It is nicely produced and is aimed at research workers and advanced students of both laboratory (i.e. tokamak plasmas) and astrophysical plasma physics. The authors are prolific contributors to the subject of plasma turbulence and transport with a well-defined message: ``The authors' view is that the plasma structure, fluctuations and turbulent transport are continually regulating each other and, in addition, that the structural formation and structural transition of plasmas are typical of the physics of far from equilibrium systems. The book presents and explains why the plasma inhomogeneity is the ordering parameter governing transport and how self-sustained fluctuations can be driven through subcritical excitation even beyond linear instability''. This point of view is expounded in 24 chapters, including topics such as transport phenomena in toroidal plasmas (Chapters 2-4), low frequency modes and instabilities of confined systems (Chapters 5-7), renormalization (Chapter 8), self-sustained turbulence due to the current diffusive mode and resistive effects (Chapters 9-11), subcritical turbulence and numerical simulations (Chapters 12-14), scale invariance arguments (Chapter 15), electric field effects (Chapters 17-21) and self-organized dynamics (Chapter 22). The material is essentially drawn from the authors' many and varied original contributions to the plasma turbulence and transport literature. Whatever view one might have about the merits of this work, there is little doubt in this reviewer's mind that it is indeed thought-provoking and presents a worthy intellectual challenge to plasma theorists and experimentalists alike. The authors take a consistent stance and discuss the issues from their own standpoint. They observe that the plasmas one encounters in practice (for definiteness, the

  13. Monoporous micropillar wick structures, I-Mass transport characteristics

    International Nuclear Information System (INIS)

    Ravi, Saitej; Horner, David; Moghaddam, Saeed

    2014-01-01

    This paper is the first of a two-part study concerning the relation between the geometry of micropillar array wicks and their thermohydraulic performance. In this paper, a parametric study of pillar array geometries is conducted, and the efficacies of existing capillary pressure and permeability models in predicting the experimental results are examined. A new method is utilized to independently measure the permeability and capillary pressure of a wick structure. A permeability model based on creeping flow past infinitely long cylinders, corrected to account for the effect of meniscus curvature on mass flow rate through pillar arrays with a limited height, closely predicts the experimental data. Also, a model that relates the capillary pressure to the wick geometry using a thermodynamic approach better predicts the experimental results. The approach adopted by this model involves using a surface energy minimization algorithm to determine the shape of the meniscus within the pillars. These permeability and capillary pressure models were coupled with Darcy's law for fluid flow to obtain an overall expression for flow through micropillar arrays. The overall model is utilized in the second part of this study to determine optimized micropillar wick geometries and the theoretical limits of their performance. - Highlights: • New method for independent measurement of capillary pressure and permeability. • Validated various capillary pressure and permeability models from literature. • Overall model to characterize mass transport capacity of micropillar arrays

  14. Nonlocality of plasma fluctuations and transport in magnetically confined plasmas nonlocal plasma transport and radial structural formation

    International Nuclear Information System (INIS)

    Toi, Kazuo

    2002-01-01

    Experimental evidence and underlying physical processes of nonlocal characters and structural formation in magnetically confined toroidal plasmas are reviewed. Radial profiles of the plasmas exhibit characteristic structures, depending on the various confinement regimes. Profile stiffness subjected to some global constraint and rapid plasma responses to applied plasma perturbation result from nonlocal transport. Once the plasma is free from the constraint, the plasma state can be changed to a new state exhibiting various types of prominent structural formation such as an internal transport barrier. (author)

  15. Tidal and longshore sediment transport associated to a coastal structure

    Science.gov (United States)

    Cuadrado, Diana G.; Gómez, Eduardo A.; Ginsberg, S. Susana

    2005-01-01

    In order to understand the subtidal marine dynamics relative to the coastal engineering works in the Bahía Blanca Estuary (Argentina), the balance of sediment transport caused by tidal currents was estimated in the Puerto Rosales area and compared with the predicted potential littoral transport. The breaking wave height used in the littoral drift calculation was estimated after applying different wave transforming procedures over the deepwater wave which was predicted by the occurrence of predominant wind, blowing long enough in an essentially constant direction over a fetch. The effect of a breakwater on currents and circulation was studied by bathymetric and side-scan sonar records, sedimentology, and tidal current measurements. Different modes of transport occur on either sides of the breakwater. On the east side, longshore transport is the principal mode, and on the west side, tidal transport is predominant.

  16. Structural Properties of the Brazilian Air Transportation Network

    Directory of Open Access Journals (Sweden)

    GUILHERME S. COUTO

    2015-09-01

    Full Text Available The air transportation network in a country has a great impact on the local, national and global economy. In this paper, we analyze the air transportation network in Brazil with complex network features to better understand its characteristics. In our analysis, we built networks composed either by national or by international flights. We also consider the network when both types of flights are put together. Interesting conclusions emerge from our analysis. For instance, Viracopos Airport (Campinas City is the most central and connected airport on the national flights network. Any operational problem in this airport separates the Brazilian national network into six distinct subnetworks. Moreover, the Brazilian air transportation network exhibits small world characteristics and national connections network follows a power law distribution. Therefore, our analysis sheds light on the current Brazilian air transportation infrastructure, bringing a novel understanding that may help face the recent fast growth in the usage of the Brazilian transport network.

  17. Structural Properties of the Brazilian Air Transportation Network.

    Science.gov (United States)

    Couto, Guilherme S; da Silva, Ana Paula Couto; Ruiz, Linnyer B; Benevenuto, Fabrício

    2015-09-01

    The air transportation network in a country has a great impact on the local, national and global economy. In this paper, we analyze the air transportation network in Brazil with complex network features to better understand its characteristics. In our analysis, we built networks composed either by national or by international flights. We also consider the network when both types of flights are put together. Interesting conclusions emerge from our analysis. For instance, Viracopos Airport (Campinas City) is the most central and connected airport on the national flights network. Any operational problem in this airport separates the Brazilian national network into six distinct subnetworks. Moreover, the Brazilian air transportation network exhibits small world characteristics and national connections network follows a power law distribution. Therefore, our analysis sheds light on the current Brazilian air transportation infrastructure, bringing a novel understanding that may help face the recent fast growth in the usage of the Brazilian transport network.

  18. Rational and Safe Design of Concrete Transportation Structures for Size Effect and Multi-Decade Sustainability

    Science.gov (United States)

    2012-10-01

    The overall goal of this project was to improve the safety and sustainability in the design of large : prestressed concrete bridges and other transportation structures. The safety of large concrete : structures, including bridges, has been insufficie...

  19. A perspective on the structural studies of inner membrane electrochemical potential-driven transporters.

    Science.gov (United States)

    Lemieux, M Joanne

    2008-09-01

    Electrochemical potential-driven transporters represent a vast array of proteins with varied substrate specificities. While diverse in size and substrate specificity, they are all driven by electrochemical potentials. Over the past five years there have been increasing numbers of X-ray structures reported for this family of transporters. Structural information is available for five subfamilies of electrochemical potential-driven transporters. No structural information exists for the remaining 91 subfamilies. In this review, the various subfamilies of electrochemical potential-driven transporters are discussed. The seven reported structures for the electrochemical potential-driven transporters and the methods for their crystallization are also presented. With a few exceptions, overall crystallization trends have been very similar for the transporters despite their differences in substrate specificity and topology. Also discussed is why the structural studies on these transporters were successful while others are not as fruitful. With the plethora of transporters with unknown structures, this review provides incentive for crystallization of transporters in the remaining subfamilies for which no structural information exists.

  20. Mathematical Model to Predict the Permeability of Water Transport in Concrete Structure

    OpenAIRE

    Solomon Ndubuisi Eluozo

    2013-01-01

    Mathematical model to predict the permeability of water transport in concrete has been established, the model is to monitor the rate of water transport in concrete structure. The process of this water transport is based on the constituent in the mixture of concrete. Permeability established a relation on the influence of the micropores on the constituent that made of concrete, the method of concrete placement determine the rate of permeability deposition in concrete structure, permeability es...

  1. Opportunity Structure for Gambling and Problem Gambling among Employees in the Transport Industry

    Science.gov (United States)

    Revheim, Tevje; Buvik, Kristin

    2009-01-01

    Working conditions for employees in the transport sector might present an opportunity structure for gambling by providing access to gambling during the workday. This study investigates connections between opportunity structure, gambling during the workday, and gambling problems among employees in the transport sector. Data has been collected from…

  2. Dynamic modeling of interfacial structures via interfacial area transport equation

    International Nuclear Information System (INIS)

    Seungjin, Kim; Mamoru, Ishii

    2005-01-01

    The interfacial area transport equation dynamically models the two-phase flow regime transitions and predicts continuous change of the interfacial area concentration along the flow field. Hence, when employed in the numerical thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, the two-group interfacial area transport equations have been developed. The group 1 equation describes the transport of small-dispersed bubbles that are either distorted or spherical in shapes, and the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. The source and sink terms in the right-hand-side of the transport equations have been established by mechanistically modeling the creation and destruction of bubbles due to major bubble interaction mechanisms. In the present paper, the interfacial area transport equations currently available are reviewed to address the feasibility and reliability of the model along with extensive experimental results. These include the data from adiabatic upward air-water two-phase flow in round tubes of various sizes, from a rectangular duct, and from adiabatic co-current downward air-water two-phase flow in round pipes of two sizes. (authors)

  3. Structural analysis of the TRansUranic PACkage Transporter (TRUPACT)

    International Nuclear Information System (INIS)

    Lamoreaux, G.H.; Sutherland, S.H.; Duffey, T.A.

    1981-07-01

    The TRansUranic PACkage Transporter (TRUPACT) is a Type B container under development at the Transportation Technology Center, Sandia National Laboratory, for use in the transportation of contact-handled transuranic waste. This report describes the numerical analyses of the container's response to end-on, side-on, and center of gravity over corner impacts on an unyielding surface following a 9 m free fall. The results of the analyses are compared to available experimental data. In general, the analytical predictions and experimental comparisons confirm the validity of the TRUPACT design concept

  4. SLC6 Neurotransmitter Transporters: Structure, Function, and Regulation

    DEFF Research Database (Denmark)

    Kristensen, Anders S; Andersen, Jacob; Jørgensen, Trine N

    2011-01-01

    The neurotransmitter transporters (NTTs) belonging to the solute carrier 6 (SLC6) gene family (also referred to as the neurotransmitter-sodium-symporter family or Na(+)/Cl(-)-dependent transporters) comprise a group of nine sodium- and chloride-dependent plasma membrane transporters...... for the monoamine neurotransmitters serotonin (5-hydroxytryptamine), dopamine, and norepinephrine, and the amino acid neurotransmitters GABA and glycine. The SLC6 NTTs are widely expressed in the mammalian brain and play an essential role in regulating neurotransmitter signaling and homeostasis by mediating uptake...... of released neurotransmitters from the extracellular space into neurons and glial cells. The transporters are targets for a wide range of therapeutic drugs used in treatment of psychiatric diseases, including major depression, anxiety disorders, attention deficit hyperactivity disorder and epilepsy...

  5. Structure and mechanism of ATP-dependent phospholipid transporters

    DEFF Research Database (Denmark)

    Lopez Marques, Rosa Laura; Poulsen, Lisbeth Rosager; Bailly, Aurélien

    2015-01-01

    Background ATP-binding cassette (ABC) transporters and P4-ATPases are two large and seemingly unrelated families of primary active pumps involved in moving phospholipids from one leaflet of a biological membrane to the other. Scope of review This review aims to identify common mechanistic features...... in the way phospholipid flipping is carried out by two evolutionarily unrelated families of transporters. Major conclusions Both protein families hydrolyze ATP, although they employ different mechanisms to use it, and have a comparable size with twelve transmembrane segments in the functional unit. Further......, despite differences in overall architecture, both appear to operate by an alternating access mechanism and during transport they might allow access of phospholipids to the internal part of the transmembrane domain. The latter feature is obvious for ABC transporters, but phospholipids and other hydrophobic...

  6. Dynamic modeling of interfacial structures via interfacial area transport equation

    International Nuclear Information System (INIS)

    Seungjin, Kim; Mamoru, Ishii

    2004-01-01

    Full text of publication follows:In the current thermal-hydraulic system analysis codes using the two-fluid model, the empirical correlations that are based on the two-phase flow regimes and regime transition criteria are being employed as closure relations for the interfacial transfer terms. Due to its inherent shortcomings, however, such static correlations are inaccurate and present serious problems in the numerical analysis. In view of this, a new dynamic approach employing the interfacial area transport equation has been studied. The interfacial area transport equation dynamically models the two-phase flow regime transitions and predicts continuous change of the interfacial area concentration along the flow field. Hence, when employed in the thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Therefore, the interfacial area transport equation can make a leapfrog improvement in the current capability of the two-fluid model from both scientific and practical point of view. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, the two-group interfacial area transport equations have been developed. The group 1 equation describes the transport of small-dispersed bubbles that are either distorted or spherical in shapes, and the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. The source and sink terms in the right hand-side of the transport equations have been established by mechanistically modeling the creation and destruction of bubbles due to major bubble interaction mechanisms. The coalescence mechanisms include the random collision driven by turbulence, and the entrainment of trailing bubbles in the wake region of the preceding bubble. The disintegration mechanisms include the break-up by turbulence impact, shearing-off at the rim of large cap bubbles and the break-up of large cap

  7. Structural and Thermal Safety Analysis Report for the Type B Radioactive Waste Transport Package

    Energy Technology Data Exchange (ETDEWEB)

    Kim, D. H.; Seo, K. S.; Lee, J. C.; Bang, K. S

    2007-09-15

    We carried out structural safety evaluation for the type B radioactive waste transport package. Requirements for type B packages according to the related regulations such as IAEA Safety Standard Series No. TS-R-1, Korea Most Act. 2001-23 and US 10 CFR Part 71 were evaluated. General requirements for packages such as those for a lifting attachment, a tie-down attachment and pressure condition were considered. For the type B radioactive waste transport package, the structural, thermal and containment analyses were carried out under the normal transport conditions. Also the safety analysis were conducted under the accidental transport conditions. The 9 m drop test, 1 m puncture test, fire test and water immersion test under the accidental transport conditions were consecutively done. The type B radioactive waste transport packages were maintained the structural and thermal integrities.

  8. The Structure of a Sugar Transporter of the Glucose EIIC Superfamily Provides Insight into the Elevator Mechanism of Membrane Transport.

    Science.gov (United States)

    McCoy, Jason G; Ren, Zhenning; Stanevich, Vitali; Lee, Jumin; Mitra, Sharmistha; Levin, Elena J; Poget, Sebastien; Quick, Matthias; Im, Wonpil; Zhou, Ming

    2016-06-07

    The phosphoenolpyruvate:carbohydrate phosphotransferase systems are found in bacteria, where they play central roles in sugar uptake and regulation of cellular uptake processes. Little is known about how the membrane-embedded components (EIICs) selectively mediate the passage of carbohydrates across the membrane. Here we report the functional characterization and 2.55-Å resolution structure of a maltose transporter, bcMalT, belonging to the glucose superfamily of EIIC transporters. bcMalT crystallized in an outward-facing occluded conformation, in contrast to the structure of another glucose superfamily EIIC, bcChbC, which crystallized in an inward-facing occluded conformation. The structures differ in the position of a structurally conserved substrate-binding domain that is suggested to play a central role in sugar transport. In addition, molecular dynamics simulations suggest a potential pathway for substrate entry from the periplasm into the bcMalT substrate-binding site. These results provide a mechanistic framework for understanding substrate recognition and translocation for the glucose superfamily EIIC transporters. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. Density-based and transport-based core-periphery structures in networks.

    Science.gov (United States)

    Lee, Sang Hoon; Cucuringu, Mihai; Porter, Mason A

    2014-03-01

    Networks often possess mesoscale structures, and studying them can yield insights into both structure and function. It is most common to study community structure, but numerous other types of mesoscale structures also exist. In this paper, we examine core-periphery structures based on both density and transport. In such structures, core network components are well-connected both among themselves and to peripheral components, which are not well-connected to anything. We examine core-periphery structures in a wide range of examples of transportation, social, and financial networks-including road networks in large urban areas, a rabbit warren, a dolphin social network, a European interbank network, and a migration network between counties in the United States. We illustrate that a recently developed transport-based notion of node coreness is very useful for characterizing transportation networks. We also generalize this notion to examine core versus peripheral edges, and we show that the resulting diagnostic is also useful for transportation networks. To examine the properties of transportation networks further, we develop a family of generative models of roadlike networks. We illustrate the effect of the dimensionality of the embedding space on transportation networks, and we demonstrate that the correlations between different measures of coreness can be very different for different types of networks.

  10. Spatiotemporal Structure of Aeolian Particle Transport on Flat Surface

    Science.gov (United States)

    Niiya, Hirofumi; Nishimura, Kouichi

    2017-05-01

    We conduct numerical simulations based on a model of blowing snow to reveal the long-term properties and equilibrium state of aeolian particle transport from 10-5 to 10 m above the flat surface. The numerical results are as follows. (i) Time-series data of particle transport are divided into development, relaxation, and equilibrium phases, which are formed by rapid wind response below 10 cm and gradual wind response above 10 cm. (ii) The particle transport rate at equilibrium is expressed as a power function of friction velocity, and the index of 2.35 implies that most particles are transported by saltation. (iii) The friction velocity below 100 µm remains roughly constant and lower than the fluid threshold at equilibrium. (iv) The mean particle speed above 300 µm is less than the wind speed, whereas that below 300 µm exceeds the wind speed because of descending particles. (v) The particle diameter increases with height in the saltation layer, and the relationship is expressed as a power function. Through comparisons with the previously reported random-flight model, we find a crucial problem that empirical splash functions cannot reproduce particle dynamics at a relatively high wind speed.

  11. On the Structure of the Fixed Charge Transportation Problem

    Science.gov (United States)

    Kowalski, K.

    2005-01-01

    This work extends the theory of the fixed charge transportation problem (FCTP), currently based mostly on a forty-year-old publication by Hirsch and Danzig. This paper presents novel properties that need to be considered by those using existing, or those developing new methods for optimizing FCTP. It also defines the problem in an easier way,…

  12. Transport properties and electronic structure of epitaxial tunnel junctions

    Czech Academy of Sciences Publication Activity Database

    Freyss, M.; Papanikolaou, N.; Bellini, V.; Zeller, R.; Dederichs, P.; Turek, Ilja

    2002-01-01

    Roč. 240, 1/3 (2002), s. 117-120 ISSN 0304-8853 R&D Projects: GA ČR GA106/02/0943; GA MŠk ME 374 Institutional research plan: CEZ:AV0Z2041904 Keywords : junctions * transport Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.046, year: 2002

  13. Theory of spin-polarized transport in ferromagnet-semiconductor structures: Unified description of ballistic and diffusive transport

    International Nuclear Information System (INIS)

    Lipperheide, R.; Wille, U.

    2006-01-01

    A theory of spin-polarized electron transport in ferromagnet-semiconductor heterostructures, based on a unified semiclassical description of ballistic and diffusive transport in semiconductors, is outlined. The aim is to provide a framework for studying the interplay of spin relaxation and transport mechanism in spintronic devices. Transport inside the (nondegenerate) semiconductor is described in terms of a thermoballistic current, in which electrons move ballistically in the electric field arising from internal and external electrostatic potentials, and are thermalized at randomly distributed equilibration points. Spin relaxation is allowed to take place during the ballistic motion. For arbitrary potential profile and arbitrary values of the momentum and spin relaxation lengths, an integral equation for a spin transport function determining the spin polarization in the semiconductor is derived. For field-driven transport in a homogeneous semiconductor, the integral equation can be converted into a second-order differential equation that generalizes the spin drift-diffusion equation. The spin polarization in ferromagnet-semiconductor structures is obtained by matching the spin-resolved chemical potentials at the interfaces, with allowance for spin-selective interface resistances. Illustrative examples are considered

  14. Drop analysis for structural integrity evaluation of KJRR fuel transport container

    International Nuclear Information System (INIS)

    Yang, Yun Young; Lim, Jong Min; Choi, Woo Seok; Lee, Ju Chan

    2016-01-01

    A fuel transport container for KiJang Research Reactor(KJRR) has been developed to transport fresh fuel assemblies and fission molly targets which are used for a research reactor built in Kijang. The KJRR fuel transport container is a type-A(F) container, which is defined in domestic and foreign regulations of a radioactive substance container. According to Nuclear Safety and Security Commission's notification, the container should meet the accident conditions defined in IAEA safety Standard Series, US NRC and etc. In this study, a structural integrity of the KJRR fuel transport container is evaluated by conducting computational analyses of 9-meter free drop and 1 meter puncture. It is confirmed that structural integrity of the KJRR fuel transport container can be maintained in the transportation accident condition. Hereafter, when the test model is produced, a safety test will be conducted and its result will be compared with the result of drop and puncture analyses.

  15. Intracellular Transport and Kinesin Superfamily Proteins: Structure, Function and Dynamics

    Science.gov (United States)

    Hirokawa, N.; Takemura, R.

    Using various molecular cell biological and molecular genetic approaches, we identified kinesin superfamily proteins (KIFs) and characterized their significant functions in intracellular transport, which is fundamental for cellular morphogenesis, functioning, and survival. We showed that KIFs not only transport various membranous organelles, proteins complexes and mRNAs fundamental for cellular functions but also play significant roles in higher brain functions such as memory and learning, determination of important developmental processes such as left-right asymmetry formation and brain wiring. We also elucidated that KIFs recognize and bind to their specific cargoes using scaffolding or adaptor protein complexes. Concerning the mechanism of motility, we discovered the simplest unique monomeric motor KIF1A and determined by molecular biophysics, cryoelectron microscopy and X-ray crystallography that KIF1A can move on a microtubule processively as a monomer by biased Brownian motion and by hydolyzing ATP.

  16. Transport of Chemotactic Bacteria in Porous Media with Structured Heterogeneity

    Science.gov (United States)

    Ford, R. M.; Wang, M.; Liu, J.; Long, T.

    2008-12-01

    Chemical contaminants that become trapped in low permeability zones (e.g. clay lenses) are difficult to remediate using conventional pump-and-treat approaches. Chemotactic bacteria that are transported by groundwater through more permeable regions may migrate toward these less permeable zones in response to chemical gradients created by contaminant diffusion from the low permeability source, thereby enhancing the remediation process by directing bacteria to the contaminants they degrade. What effect does the heterogeneity associated with coarse- and fine-grained layers that are characteristic of natural groundwater environments have on the transport of microorganisms and their chemotactic response? To address this question experiments were conducted over a range of scales from a single capillary tube to a laboratory- scale column in both static and flowing systems with and without chemoattractant gradients. In static capillary assays, motile bacteria accumulated at the interface between an aqueous solution and a suspension of agarose particulates. In microfluidic devices with an array of staggered cylinders, chemotactic bacteria migrated transverse to flow in response to a chemoattractant gradient. In sand columns packed with a coarse-grained core and surrounded by a fine-grained annulus, chemotactic bacteria migrated preferentially toward a chemoattractant source along the centerline. Mathematical models and computer simulations were developed to analyze the experimental observations in terms of transport parameters from the advection- disperson-sorption equation.

  17. A sub-structure method for multidimensional integral transport calculations

    International Nuclear Information System (INIS)

    Kavenoky, A.; Stankovski, Z.

    1983-03-01

    A new method has been developed for fine structure burn-up calculations of very heterogeneous large size media. It is a generalization of the well-known surface-source method, allowing coupling actual two-dimensional heterogeneous assemblies, called sub-structures. The method has been applied to a rectangular medium, divided into sub-structures, containing rectangular and/or cylindrical fuel, moderator and structure elements. The sub-structures are divided into homogeneous zones. A zone-wise flux expansion is used to formulate a direct collision probability problem within it (linear or flat flux expansion in the rectangular zones, flat flux in the others). The coupling of the sub-structures is performed by making extra assumptions on the currents entering and leaving the interfaces. The accuracies and computing times achieved are illustrated by numerical results on two benchmark problems

  18. Structure of Bor1 supports an elevator transport mechanism for SLC4 anion exchangers.

    Science.gov (United States)

    Thurtle-Schmidt, Bryan H; Stroud, Robert M

    2016-09-20

    Boron is essential for plant growth because of its incorporation into plant cell walls; however, in excess it is toxic to plants. Boron transport and homeostasis in plants is regulated in part by the borate efflux transporter Bor1, a member of the solute carrier (SLC) 4 transporter family with homology to the human bicarbonate transporter Band 3. Here, we present the 4.1-Å resolution crystal structure of Arabidopsis thaliana Bor1. The structure displays a dimeric architecture in which dimerization is mediated by centralized Gate domains. Comparisons with a structure of Band 3 in an outward-open state reveal that the Core domains of Bor1 have rotated inwards to achieve an occluded state. Further structural comparisons with UapA, a xanthine transporter from the nucleobase-ascorbate transporter family, show that the downward pivoting of the Core domains relative to the Gate domains may access an inward-open state. These results suggest that the SLC4, SLC26, and nucleobase-ascorbate transporter families all share an elevator transport mechanism in which alternating access is provided by Core domains that carry substrates across a membrane.

  19. Structure and Mechanism of the S Component of a Bacterial ECF Transporter

    Energy Technology Data Exchange (ETDEWEB)

    P Zhang; J Wang; Y Shi

    2011-12-31

    The energy-coupling factor (ECF) transporters, responsible for vitamin uptake in prokaryotes, are a unique family of membrane transporters. Each ECF transporter contains a membrane-embedded, substrate-binding protein (known as the S component), an energy-coupling module that comprises two ATP-binding proteins (known as the A and A' components) and a transmembrane protein (known as the T component). The structure and transport mechanism of the ECF family remain unknown. Here we report the crystal structure of RibU, the S component of the ECF-type riboflavin transporter from Staphylococcus aureus at 3.6-{angstrom} resolution. RibU contains six transmembrane segments, adopts a previously unreported transporter fold and contains a riboflavin molecule bound to the L1 loop and the periplasmic portion of transmembrane segments 4-6. Structural analysis reveals the essential ligand-binding residues, identifies the putative transport path and, with sequence alignment, uncovers conserved structural features and suggests potential mechanisms of action among the ECF transporters.

  20. Development of a six-year research needs assessment for timber transportation structures

    Science.gov (United States)

    Terry J. Wipf; Michael A. Ritter; Sheila Rimal Duwadi; Russell C. Moody

    1993-01-01

    A timber bridge, once a thing of the past, is now becoming a thing of the present. Interest in timber bridges and other transportation structures has been rapidly increasing. Much of this is due to new technologies in design and construction as well as advances in material manufacturing and presevative treatments. Although timber bridges and other transportation...

  1. Probing dopamine transporter structure and function by Zn2+-site engineering

    DEFF Research Database (Denmark)

    Loland, Claus Juul; Norgaard-Nielsen, Kristine; Gether, Ulrik

    2003-01-01

    , it will be described how we have used Zn2+-binding sites as a tool to probe the structure and function of Na+/Cl--coupled biogenic amine transporters with specific focus on the human DAT (hDAT). The work has not only led to the definition of the first structural constrains in the tertiary structure of this class...

  2. Low-Carbon Transportation Oriented Urban Spatial Structure: Theory, Model and Case Study

    Directory of Open Access Journals (Sweden)

    Yuyao Ye

    2017-12-01

    Full Text Available Optimising the spatial structure of cities to promote low-carbon travel is a primary goal of urban planning and construction innovation in the low-carbon era. There is a need for basic research on the structural characteristics that help to reduce motor traffic, thereby promoting energy conservation. We first review the existing literature on the influence of urban spatial structure on transport carbon dioxide emissions and summarise the influence mechanisms. We then present two low-carbon transportation oriented patterns of urban spatial structure including the traditional walking city and the modern transit metropolis, illustrated by case studies. Furthermore, we propose an improved model Green Transportation System Oriented Development (GTOD, which is an extension of traditional transit-oriented development (TOD and includes the additional features of a walking city and an emphasis on the integration of land use with a green transportation system, consisting of the public transportation and non-auto travel system. A compact urban form, effective mix of land use and appropriate scale of block are the basic structural features of a low-carbon transportation city. However, these features are only effective at promoting low-carbon transportation when integrated with the green traffic systems. Proper integration of the urban structural system with the green space system is also required. The optimal land use/transportation integration strategy is to divide traffic corridors with wedge-shaped green spaces and limit development along the transit corridors. This strategy forms the basis of the proposed urban structural model to promote low-carbon transportation and sustainable urban growth management.

  3. Interactions between Radial Electric Field, Transport and Structure in Helical Plasmas

    International Nuclear Information System (INIS)

    Ida, Katsumi and others

    2006-01-01

    Control of the radial electric field is considered to be important in helical plasmas, because the radial electric field and its shear are expected to reduce neoclassical and anomalous transport, respectively. Particle and heat transport, that determines the radial structure of density and electron profiles, sensitive to the structure of radial electric field. On the other hand, the radial electric field itself is determined by the plasma parameters. In general, the sign of the radial electric field is determined by the plasma collisionality, while the magnitude of the radial electric field is determined by the temperature and/or density gradients. Therefore the structure of radial electric field and temperature and density are strongly coupled through the particle and heat transport and formation mechanism of radial electric field. Interactions between radial electric field, transport and structure in helical plasmas is discussed based on the experiments on Large Helical Device

  4. Effects of Drawdown and Structures on Bed-Load Transport in Pool 8 Navigation Channel

    National Research Council Canada - National Science Library

    Abraham, David; Hendrickson, Jon

    2003-01-01

    ... of a pool drawdown and structures on bed-load transport in the Pool 8 navigation channel. Work was conducted as part of the Monitoring of Completed Navigation Projects (MCNP) program. BACKGROUND...

  5. Probabilistic structural analysis methods for space transportation propulsion systems

    Science.gov (United States)

    Chamis, C. C.; Moore, N.; Anis, C.; Newell, J.; Nagpal, V.; Singhal, S.

    1991-01-01

    Information on probabilistic structural analysis methods for space propulsion systems is given in viewgraph form. Information is given on deterministic certification methods, probability of failure, component response analysis, stress responses for 2nd stage turbine blades, Space Shuttle Main Engine (SSME) structural durability, and program plans. .

  6. Coupled ion binding and structural transitions along the transport cycle of glutamate transporters

    OpenAIRE

    Verdon, Grégory; Oh, SeCheol; Serio, Ryan N; Boudker, Olga

    2014-01-01

    eLife digest Molecules of glutamate can carry messages between cells in the brain, and these signals are essential for thought and memory. Glutamate molecules can also act as signals to build new connections between brain cells and to prune away unnecessary ones. However, too much glutamate outside of the cells kills the brain tissue and can lead to devastating brain diseases. In a healthy brain, special pumps called glutamate transporters move these molecules back into the brain cells, where...

  7. The Influence of Turbulent Coherent Structure on Suspended Sediment Transport

    Science.gov (United States)

    Huang, S. H.; Tsai, C.

    2017-12-01

    The anomalous diffusion of turbulent sedimentation has received more and more attention in recent years. With the advent of new instruments and technologies, researchers have found that sediment behavior may deviate from Fickian assumptions when particles are heavier. In particle-laden flow, bursting phenomena affects instantaneous local concentrations, and seems to carry suspended particles for a longer distance. Instead of the pure diffusion process in an analogy to Brownian motion, Levy flight which allows particles to move in response to bursting phenomena is suspected to be more suitable for describing particle movement in turbulence. And the fractional differential equation is a potential candidate to improve the concentration profile. However, stochastic modeling (the Differential Chapmen-Kolmogorov Equation) also provides an alternative mathematical framework to describe system transits between different states through diffusion/the jump processes. Within this framework, the stochastic particle tracking model linked with advection diffusion equation is a powerful tool to simulate particle locations in the flow field. By including the jump process to this model, a more comprehensive description for suspended sediment transport can be provided with a better physical insight. This study also shows the adaptability and expandability of the stochastic particle tracking model for suspended sediment transport modeling.

  8. Coherent structures and transport in drift wave plasma turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Bang Korsholm, S.

    2011-12-15

    Fusion energy research aims at developing fusion power plants providing safe and clean energy with abundant fuels. Plasma turbulence induced transport of energy and particles is a performance limiting factor for fusion devices. Hence the understanding of plasma turbulence is important for optimization. The present work is a part of the puzzle to understand the basic physics of transport induced by drift wave turbulence in the edge region of a plasma. The basis for the study is the Hasegawa-Wakatani model. Simulation results for 3D periodic and nonperiodic geometries are presented. The Hasegawa-Wakatani model is further expanded to include ion temperature effects. Another expansion of the model is derived from the Braginskii electron temperature equation. The result is a self-consistent set of equations describing the dynamical evolution of the drift wave fluctuations of the electron density, electron temperature and the potential in the presence of density and temperature gradients. 3D simulation results of the models are presented. Finally, the construction and first results from the MAST fluctuation reflectometer is described. The results demonstrate how L- to H-mode transitions as well as edge-localized-modes can be detected by the relatively simple diagnostic system. The present Risoe report is a slightly updated version of my original PhD report which was submitted in April 2002 and defended in August 2002. (Author)

  9. Coherent structures and transport in drift wave plasma turbulence

    International Nuclear Information System (INIS)

    Bang Korsholm, S.

    2011-12-01

    Fusion energy research aims at developing fusion power plants providing safe and clean energy with abundant fuels. Plasma turbulence induced transport of energy and particles is a performance limiting factor for fusion devices. Hence the understanding of plasma turbulence is important for optimization. The present work is a part of the puzzle to understand the basic physics of transport induced by drift wave turbulence in the edge region of a plasma. The basis for the study is the Hasegawa-Wakatani model. Simulation results for 3D periodic and nonperiodic geometries are presented. The Hasegawa-Wakatani model is further expanded to include ion temperature effects. Another expansion of the model is derived from the Braginskii electron temperature equation. The result is a self-consistent set of equations describing the dynamical evolution of the drift wave fluctuations of the electron density, electron temperature and the potential in the presence of density and temperature gradients. 3D simulation results of the models are presented. Finally, the construction and first results from the MAST fluctuation reflectometer is described. The results demonstrate how L- to H-mode transitions as well as edge-localized-modes can be detected by the relatively simple diagnostic system. The present Risoe report is a slightly updated version of my original PhD report which was submitted in April 2002 and defended in August 2002. (Author)

  10. Underwater transporting method and device for incore structure cutting piece

    International Nuclear Information System (INIS)

    Kurosawa, Koichi; Chiba, Noboru; Chiba, Isao; Takada, Hiroshi; Furukawa, Hideyasu; Chiba, Noboru.

    1996-01-01

    Cutting pieces are handled by using a pick-up device connected with a wire ropes, a take-up drum, chains and a winch as cutting piece handling means, and moved freely on the water surface by a propulsion machine of a transporting means of the device to transfer them under water to a predetermined position. The pick-up device is lifted by taking-up the rope by the rotation of the take-up drum using chain-driving by way of the winch and the chains. The cut pieces are stored in a cask by lowering them in the cask and releasing the handling. In addition, if the weight of the cut pieces is recognized before cutting, and the load of the weight of the cut pieces is applied to the device previously, the balance of the device and the cut pieces can be kept, and cut pieces can be transported under water always stably. Further, if the cut pieces are supported upon cutting operation, the cut pieces are made stable, and cutting operation with good efficiency can be attained. (N.H.)

  11. Heat and Mass Transport in Heat Pipe Wick Structures

    OpenAIRE

    Iverson, B. D.; Davis, T. W.; Garimella, S V; North, M. T.; Kang, S.

    2007-01-01

    Anovel experimental approach is developed for characterizing the performance of heat pipe wick structures. This approach simulates the actual operation of wick structures in a heat pipe. Open, partially submerged, sintered copper wicks of varying pore size are studied under the partially saturated conditions found in normal heat pipe operation. A vertical wick orientation, where the capillary lift is in opposition to gravity, is selected to test the wicks under the most demanding conditions. ...

  12. Charge Injection and Transport in Metal/Polymer Chains/Metal Sandwich Structure

    International Nuclear Information System (INIS)

    Hai-Hong, Li; Dong-Mei, Li; Yuan, Li; Kun, Gao; De-Sheng, Liu; Shi-Jie, Xie

    2008-01-01

    Using the tight-binding Su–Schrieffer–Heeger model and a nonadiabatic dynamic evolution method, we study the dynamic processes of the charge injection and transport in a metal/two coupled conjugated polymer chains/metal structure. It is found that the charge interchain transport is determined by the strength of the electric field and the magnitude of the voltage bias applied on the metal electrode. The stronger electric field and the larger voltage bias are both in favour of the charge interchain transport. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  13. Structural characterization of O- and C-glycosylating variants of the landomycin glycosyltransferase LanGT2.

    Science.gov (United States)

    Tam, Heng Keat; Härle, Johannes; Gerhardt, Stefan; Rohr, Jürgen; Wang, Guojun; Thorson, Jon S; Bigot, Aurélien; Lutterbeck, Monika; Seiche, Wolfgang; Breit, Bernhard; Bechthold, Andreas; Einsle, Oliver

    2015-02-23

    The structures of the O-glycosyltransferase LanGT2 and the engineered, C-C bond-forming variant LanGT2S8Ac show how the replacement of a single loop can change the functionality of the enzyme. Crystal structures of the enzymes in complex with a nonhydrolyzable nucleotide-sugar analogue revealed that there is a conformational transition to create the binding sites for the aglycon substrate. This induced-fit transition was explored by molecular docking experiments with various aglycon substrates. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Structural and Shielding Safety of a Transport Package for Radioisotope Sealed Source Assembly

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Kiseog; Cho, Ilje; Kim, Donghak [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    2006-07-01

    As some kinds of radioisotope (RI) sealed source are produced by HANARO research reactor, a demand of RI transport package is increasing gradually. Foreign countries, which produce the various RIs, have the intrinsic model of the RI transport package. It is necessary to develop a RI and its transport package simultaneously. It is difficult to design a shielding part for this transport package because the passage for this source assembly should be provided from the center of shielding part to the outside of the package. In order to endure the accident conditions such as a 9 m drop and puncture, this transport package consists of the guide tubes, a gamma shield and a shock absorber. This paper describe that a shielding and structural safety of RI sealed source transport package are evaluated under the accident conditions.

  15. Behavioral Logistics - Analysis of behavioral routines and governance structures in the interorganizational maritime transport chain

    Directory of Open Access Journals (Sweden)

    2010-09-01

    Full Text Available The strong improvements in information and communication systems as well as better transshipment technologies provide the platform for more efficient transport within interorganizational transport chains. Nevertheless these technologies do not automatically optimize systems based on routines and behavioral patterns, established over the last decades. Logisticians - in theory and practice - have to consider the field of behavioral science to describe and analyse transport problems regarding to involved actors' strategic behavior and social embeddedness, too. The objective of this paper is to illustrate behavioral aspects of supposed technical problems in interorganizational transport chains. Therefore, this paper analyses behavioral routines and governance structures in the interorganizational maritime transport chain using a case study, dealing with the generation and circulation of transport information at the earliest point available, so called "estimated time of arrival" (ETA.

  16. Structural and Shielding Safety of a Transport Package for Radioisotope Sealed Source Assembly

    International Nuclear Information System (INIS)

    Seo, Kiseog; Cho, Ilje; Kim, Donghak

    2006-01-01

    As some kinds of radioisotope (RI) sealed source are produced by HANARO research reactor, a demand of RI transport package is increasing gradually. Foreign countries, which produce the various RIs, have the intrinsic model of the RI transport package. It is necessary to develop a RI and its transport package simultaneously. It is difficult to design a shielding part for this transport package because the passage for this source assembly should be provided from the center of shielding part to the outside of the package. In order to endure the accident conditions such as a 9 m drop and puncture, this transport package consists of the guide tubes, a gamma shield and a shock absorber. This paper describe that a shielding and structural safety of RI sealed source transport package are evaluated under the accident conditions

  17. Nucleotide-induced conformational dynamics in ABC transporters from structure-based coarse grained modelling.

    Science.gov (United States)

    Flechsig, Holger

    2016-02-01

    ATP-binding cassette (ABC) transporters are integral membrane proteins which mediate the exchange of diverse substrates across membranes powered by ATP molecules. Our understanding of their activity is still hampered since the conformational dynamics underlying the operation of such proteins cannot yet be resolved in detailed molecular dynamics studies. Here a coarse grained model which allows to mimic binding of nucleotides and follow subsequent conformational motions of full-length transporter structures in computer simulations is proposed and implemented. To justify its explanatory quality, the model is first applied to the maltose transporter system for which multiple conformations are known and we find that the model predictions agree remarkably well with the experimental data. For the MalK subunit the switching from open to the closed dimer configuration upon ATP binding is reproduced and, moreover, for the full-length maltose transporter, progression from inward-facing to the outward-facing state is correctly obtained. For the heme transporter HmuUV, for which only the free structure could yet be determined, the model was then applied to predict nucleotide-induced conformational motions. Upon binding of ATP-mimicking ligands the structure changed from a conformation in which the nucleotide-binding domains formed an open shape, to a conformation in which they were found in tight contact, while, at the same time, a pronounced rotation of the transmembrane domains was observed. This finding is supported by normal mode analysis, and, comparison with structural data of the homologous vitamin B12 transporter BtuCD suggests that the observed rotation mechanism may contribute a common functional aspect for this class of ABC transporters. Although in HmuuV noticeable rearrangement of essential transmembrane helices was detected, there are no indications from our simulations that ATP binding alone may facilitate propagation of substrate molecules in this transporter

  18. Transport de paires EPR dans des structures mesoscopiques

    Science.gov (United States)

    Dupont, Emilie

    Dans cette these, nous nous sommes particulierement interesses a la propagation de paires EPR1 delocalisees et localisees, et a l'influence d'un supraconducteur sur le transport de ces paires. Apres une introduction de cette etude, ainsi que du cadre scientifique qu'est l'informatique quantique dans lequel elle s'inscrit, nous allons dans le chapitre 1 faire un rappel sur le systeme constitue de deux points quantiques normaux entoures de deux fils supraconducteurs. Cela nous permettra d'introduire une methode de calcul qui sera reutilisee par la suite, et de trouver egalement le courant Josephson produit par ce systeme transforme en SQUID-dc par l'ajout d'une jonction auxiliaire. Le SQUID permet de mesurer l'etat de spin (singulet ou triplet), et peut etre forme a partir d'autres systemes que nous etudierons ensuite. Dans le chapitre 2, nous rappellerons l'etude detaillee d'un intricateur d'Andreev faite par un groupe de Bale. La matrice T, permettant d'obtenir le courant dans les cas ou les electrons sont separes spatialement ou non, sera etudiee en detail afin d'en faire usage au chapitre suivant. Le chapitre 3 est consacre a l'etude de l'influence du bruit sur le fonctionnement de l'intricateur d'Andreev. Ce bruit modifie la forme du courant jusqu'a aboutir a d'autres conditions de fonctionnement de l'intricateur. En effet, le bruit present sur les points quantiques peut perturber le transport des paires EPR par l'intermediaire des degres de liberte. Nous montrerons que, du fait de l'"intrication" entre la charge de la paire et le bruit, la paire est detruite pour des temps longs. Cependant, le resultat le plus important sera que le bruit perturbe plus le transport des paires delocalisees, qui implique une resonance de Breit-Wigner a deux particules. Le transport parasite n'implique pour sa part qu'une resonance de Breit-Wigner a une particule. Dans le chapitre 4, nous reviendrons au systeme constitue de deux points quantiques entoures de deux fils

  19. Photoconductivity relaxation and electron transport in macroporous silicon structures

    Directory of Open Access Journals (Sweden)

    L.A. Karachevtseva

    2017-12-01

    Full Text Available Kinetics and temperature dependence of photoconductivity were measured in macroporous silicon at 80…300 K after light illumination with the wavelength 0.9 μm. The influence of mechanisms of the charge carrier transport through the macropore surface barrier on the kinetics of photoconductivity at various temperatures was investigated. The kinetics of photoconductivity distribution in macroporous silicon and Si substrate has been calculated using the finite-difference time-domain method. The maximum of photoconductivity has been found both in the layer of macroporous silicon and in the monocrystalline substrate. The kinetics of photoconductivity distribution in macroporous silicon showed rapid relaxation of the photoconductivity maximum in the layer of macroporous silicon and slow relaxation of it in the monocrystalline substrate.

  20. Electronic structure, transport, and collective effects in molecular layered systems

    Directory of Open Access Journals (Sweden)

    Torsten Hahn

    2017-10-01

    Full Text Available The great potential of organic heterostructures for organic device applications is exemplified by the targeted engineering of the electronic properties of phthalocyanine-based systems. The transport properties of two different phthalocyanine systems, a pure copper phthalocyanine (CoPc and a flourinated copper phthalocyanine–manganese phthalocyanine (F16CoPc/MnPc heterostructure, are investigated by means of density functional theory (DFT and the non-equilibrium Green’s function (NEGF approach. Furthermore, a master-equation-based approach is used to include electronic correlations beyond the mean-field-type approximation of DFT. We describe the essential theoretical tools to obtain the parameters needed for the master equation from DFT results. Finally, an interacting molecular monolayer is considered within a master-equation approach.

  1. Structural basis for polyspecificity in the POT family of proton-coupled oligopeptide transporters

    DEFF Research Database (Denmark)

    Lyons, Joseph A.; Parker, Joanne L.; Solcan, Nicolae

    2014-01-01

    An enigma in the field of peptide transport is the structural basis for ligand promiscuity, as exemplified by PepT1, the mammalian plasma membrane peptide transporter. Here, we present crystal structures of di‐ and tripeptide‐bound complexes of a bacterial homologue of PepT1, which reveal at least...... two mechanisms for peptide recognition that operate within a single, centrally located binding site. The dipeptide was orientated laterally in the binding site, whereas the tripeptide revealed an alternative vertical binding mode. The co‐crystal structures combined with functional studies reveal...... that biochemically distinct peptide‐binding sites likely operate within the POT/PTR family of proton‐coupled symporters and suggest that transport promiscuity has arisen in part through the ability of the binding site to accommodate peptides in multiple orientations for transport...

  2. The structural basis of calcium transport by the calcium pump

    DEFF Research Database (Denmark)

    Olesen, Claus; Picard, Martin; Winther, Anne-Marie Lund

    2007-01-01

    The sarcoplasmic reticulum Ca2+-ATPase, a P-type ATPase, has a critical role in muscle function and metabolism. Here we present functional studies and three new crystal structures of the rabbit skeletal muscle Ca2+-ATPase, representing the phosphoenzyme intermediates associated with Ca2+ binding,...

  3. Advances in aluminium alloy products for structural applications in transportation

    International Nuclear Information System (INIS)

    Staley, J.T.; Lege, D.J.

    1993-01-01

    This paper describes the needs of the aviation and automotive markets for structural materials and presents examples of developments of aluminum alloy products to fill these needs. Designers of aircraft desire materials which will allow them to design lightweight, cost-effective structures which have the performance characteristics of durability and damage tolerance. Their needs are being met by new and emerging materials varying from Al-Li alloys for thick structure, high-strength plate and extrusions for wings, and new monolithic and aluminum-fiber laminates for fuselages. Increase in fuel economy because of lighter weight structure is the driving force for aluminum alloys in the automotive market, and cost is extremely important. Mechanical properties for automotive use also depend on the application, and corrosion resistance must be adequate. For ''hang-on'' components such as fenders and hoods, formability is typically the limiting mechanical property. Strength must be adequate to resist denting at a thickness which offers cost-effective weight savings over steel. Because formability often decreases with increasing yield strength, alloys which are highly formable in the T4 temper and which age harden during the paint bake operation were developed. Alloys such as 6009 and 6010 are now being challenged by 2008, 6111 and 6016. Body structure components must be made from materials which absorb energy and fail gracefully during a crash. Such components for an automotive space frame are being die cast from an Al-Si-Mg alloy. These ductile die castings are joined to thin 6XXX extrusions which must combine formability, strength, ductility and the ability to deform plastically on impact. Bumpers must combine strength and adequate formability; in the event that current alloys are inadequate for future needs, a new 7XXX alloy offers an improved combination of properties. (orig.)

  4. Structural and functional studies of conserved nucleotide-binding protein LptB in lipopolysaccharide transport

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhongshan [Biomedical Research Centre, Norwich Medical School, University of East Anglia, Norwich Research Park, NR4 7TJ (United Kingdom); College of Life Sciences, Sichuan University, Chengdu 610065 (China); Biomedical Sciences Research Complex, School of Chemistry, University of St Andrews, North Haugh, St Andrews KY16 9ST (United Kingdom); Xiang, Quanju [College of Life Sciences, Sichuan University, Chengdu 610065 (China); Biomedical Sciences Research Complex, School of Chemistry, University of St Andrews, North Haugh, St Andrews KY16 9ST (United Kingdom); Department of Microbiology, College of Resource and Environment Science, Sichuan Agriculture University, Yaan 625000 (China); Zhu, Xiaofeng [College of Life Sciences, Sichuan University, Chengdu 610065 (China); Dong, Haohao [Biomedical Sciences Research Complex, School of Chemistry, University of St Andrews, North Haugh, St Andrews KY16 9ST (United Kingdom); He, Chuan [School of Electronics and Information, Wuhan Technical College of Communications, No. 6 Huangjiahu West Road, Hongshan District, Wuhan, Hubei 430065 (China); Wang, Haiyan; Zhang, Yizheng [College of Life Sciences, Sichuan University, Chengdu 610065 (China); Wang, Wenjian, E-mail: Wenjian166@gmail.com [Laboratory of Department of Surgery, The First Affiliated Hospital, Sun Yat-sen University, 58 Zhongshan Road II, Guangzhou, Guangdong 510080 (China); Dong, Changjiang, E-mail: C.Dong@uea.ac.uk [Biomedical Research Centre, Norwich Medical School, University of East Anglia, Norwich Research Park, NR4 7TJ (United Kingdom)

    2014-09-26

    Highlights: • Determination of the structure of the wild-type LptB in complex with ATP and Mg{sup 2+}. • Demonstrated that ATP binding residues are essential for LptB’s ATPase activity and LPS transport. • Dimerization is required for the LptB’s function and LPS transport. • Revealed relationship between activity of the LptB and the vitality of E. coli cells. - Abstract: Lipopolysaccharide (LPS) is the main component of the outer membrane of Gram-negative bacteria, which plays an essential role in protecting the bacteria from harsh conditions and antibiotics. LPS molecules are transported from the inner membrane to the outer membrane by seven LPS transport proteins. LptB is vital in hydrolyzing ATP to provide energy for LPS transport, however this mechanism is not very clear. Here we report wild-type LptB crystal structure in complex with ATP and Mg{sup 2+}, which reveals that its structure is conserved with other nucleotide-binding proteins (NBD). Structural, functional and electron microscopic studies demonstrated that the ATP binding residues, including K42 and T43, are crucial for LptB’s ATPase activity, LPS transport and the vitality of Escherichia coli cells with the exceptions of H195A and Q85A; the H195A mutation does not lower its ATPase activity but impairs LPS transport, and Q85A does not alter ATPase activity but causes cell death. Our data also suggest that two protomers of LptB have to work together for ATP hydrolysis and LPS transport. These results have significant impacts in understanding the LPS transport mechanism and developing new antibiotics.

  5. Structural and functional studies of conserved nucleotide-binding protein LptB in lipopolysaccharide transport

    International Nuclear Information System (INIS)

    Wang, Zhongshan; Xiang, Quanju; Zhu, Xiaofeng; Dong, Haohao; He, Chuan; Wang, Haiyan; Zhang, Yizheng; Wang, Wenjian; Dong, Changjiang

    2014-01-01

    Highlights: • Determination of the structure of the wild-type LptB in complex with ATP and Mg 2+ . • Demonstrated that ATP binding residues are essential for LptB’s ATPase activity and LPS transport. • Dimerization is required for the LptB’s function and LPS transport. • Revealed relationship between activity of the LptB and the vitality of E. coli cells. - Abstract: Lipopolysaccharide (LPS) is the main component of the outer membrane of Gram-negative bacteria, which plays an essential role in protecting the bacteria from harsh conditions and antibiotics. LPS molecules are transported from the inner membrane to the outer membrane by seven LPS transport proteins. LptB is vital in hydrolyzing ATP to provide energy for LPS transport, however this mechanism is not very clear. Here we report wild-type LptB crystal structure in complex with ATP and Mg 2+ , which reveals that its structure is conserved with other nucleotide-binding proteins (NBD). Structural, functional and electron microscopic studies demonstrated that the ATP binding residues, including K42 and T43, are crucial for LptB’s ATPase activity, LPS transport and the vitality of Escherichia coli cells with the exceptions of H195A and Q85A; the H195A mutation does not lower its ATPase activity but impairs LPS transport, and Q85A does not alter ATPase activity but causes cell death. Our data also suggest that two protomers of LptB have to work together for ATP hydrolysis and LPS transport. These results have significant impacts in understanding the LPS transport mechanism and developing new antibiotics

  6. Structure and elevator mechanism of the Na(+)-citrate transporter CitS

    NARCIS (Netherlands)

    Lolkema, Juke S; Slotboom, Dirk Jan

    2016-01-01

    The recently determined crystal structure of the bacterial Na(+)-citrate symporter CitS provides unexpected structural and mechanistic insights. The protein has a fold that has not been seen in other proteins, but the oligomeric state, domain organization and proposed transport mechanism strongly

  7. Nanoscale stiffness topography reveals structure and mechanics of the transport barrier in intact nuclear pore complexes

    Science.gov (United States)

    Bestembayeva, Aizhan; Kramer, Armin; Labokha, Aksana A.; Osmanović, Dino; Liashkovich, Ivan; Orlova, Elena V.; Ford, Ian J.; Charras, Guillaume; Fassati, Ariberto; Hoogenboom, Bart W.

    2015-01-01

    The nuclear pore complex (NPC) is the gate for transport between the cell nucleus and the cytoplasm. Small molecules cross the NPC by passive diffusion, but molecules larger than ∼5 nm must bind to nuclear transport receptors to overcome a selective barrier within the NPC. Although the structure and shape of the cytoplasmic ring of the NPC are relatively well characterized, the selective barrier is situated deep within the central channel of the NPC and depends critically on unstructured nuclear pore proteins, and is therefore not well understood. Here, we show that stiffness topography with sharp atomic force microscopy tips can generate nanoscale cross-sections of the NPC. The cross-sections reveal two distinct structures, a cytoplasmic ring and a central plug structure, which are consistent with the three-dimensional NPC structure derived from electron microscopy. The central plug persists after reactivation of the transport cycle and resultant cargo release, indicating that the plug is an intrinsic part of the NPC barrier. Added nuclear transport receptors accumulate on the intact transport barrier and lead to a homogenization of the barrier stiffness. The observed nanomechanical properties in the NPC indicate the presence of a cohesive barrier to transport and are quantitatively consistent with the presence of a central condensate of nuclear pore proteins in the NPC channel.

  8. Structural basis of transport function in major facilitator superfamily protein from Trichoderma harzianum.

    Science.gov (United States)

    Chaudhary, Nitika; Sandhu, Padmani; Ahmed, Mushtaq; Akhter, Yusuf

    2017-02-01

    Trichothecenes are the sesquiterpenes secreted by Trichoderma spp. residing in the rhizosphere. These compounds have been reported to act as plant growth promoters and bio-control agents. The structural knowledge for the transporter proteins of their efflux remained limited. In this study, three-dimensional structure of Thmfs1 protein, a trichothecene transporter from Trichoderma harzianum, was homology modelled and further Molecular Dynamics (MD) simulations were used to decipher its mechanism. Fourteen transmembrane helices of Thmfs1 protein are observed contributing to an inward-open conformation. The transport channel and ligand binding sites in Thmfs1 are identified based on heuristic, iterative algorithm and structural alignment with homologous proteins. MD simulations were performed to reveal the differential structural behaviour occurring in the ligand free and ligand bound forms. We found that two discrete trichothecene binding sites are located on either side of the central transport tunnel running from the cytoplasmic side to the extracellular side across the Thmfs1 protein. Detailed analysis of the MD trajectories showed an alternative access mechanism between N and C-terminal domains contributing to its function. These results also demonstrate that the transport of trichodermin occurs via hopping mechanism in which the substrate molecule jumps from one binding site to another lining the transport tunnel. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Spin-related transport phenomena in HgTe-based quantum well structures

    International Nuclear Information System (INIS)

    Koenig, Markus

    2007-12-01

    Within the scope of this thesis, spin related transport phenomena have been investigated in HgTe/Hg 0.3 Cd 0.7 Te quantum well structures. In our experiments, the existence of the quantum spin Hall (QSH) state was successfully demonstrated for the first time and the presented results provide clear evidence for the charge transport properties of the QSH state. Our experiments provide the first direct observation of the Aharonov-Casher (AC) effect in semiconductor structures. In conclusion, HgTe quantum well structures have proven to be an excellent template for studying spin-related transport phenomena: The QSH relies on the peculiar band structure of the material and the existence of both the spin Hall effect and the AC effect is a consequence of the substantial spin-orbit interaction. (orig.)

  10. Spin-related transport phenomena in HgTe-based quantum well structures

    Energy Technology Data Exchange (ETDEWEB)

    Koenig, Markus

    2007-12-15

    Within the scope of this thesis, spin related transport phenomena have been investigated in HgTe/Hg{sub 0.3}Cd{sub 0.7}Te quantum well structures. In our experiments, the existence of the quantum spin Hall (QSH) state was successfully demonstrated for the first time and the presented results provide clear evidence for the charge transport properties of the QSH state. Our experiments provide the first direct observation of the Aharonov-Casher (AC) effect in semiconductor structures. In conclusion, HgTe quantum well structures have proven to be an excellent template for studying spin-related transport phenomena: The QSH relies on the peculiar band structure of the material and the existence of both the spin Hall effect and the AC effect is a consequence of the substantial spin-orbit interaction. (orig.)

  11. Transportation

    National Research Council Canada - National Science Library

    Adams, James; Carr, Ron; Chebl, Maroun; Coleman, Robert; Costantini, William; Cox, Robert; Dial, William; Jenkins, Robert; McGovern, James; Mueller, Peter

    2006-01-01

    ...., trains, ships, etc.) and maximizing intermodal efficiency. A healthy balance must be achieved between the flow of international commerce and security requirements regardless of transportation mode...

  12. The influence of sediment transport rate on the development of structure in gravel bed rivers

    Science.gov (United States)

    Ockelford, Annie; Rice, Steve; Powell, Mark; Reid, Ian; Nguyen, Thao; Tate, Nick; Wood, Jo

    2013-04-01

    Although adjustments of surface grain size are known to be strongly influenced by sediment transport rate little work has systematically explored how different transport rates can affect the development of surface structure in gravel bed rivers. Specifically, it has been well established that the transport of mixed sized sediments leads to the development of a coarser surface or armour layer which occurs over larger areas of the gravel bed. Armour layer development is known to moderate overall sediment transport rate as well as being extremely sensitive to changes in applied shear stress. However, during this armouring process a bed is created where, smaller gain scale changes, to the bed surface are also apparent such as the development of pebble clusters and imbricate structures. Although these smaller scale changes affect the overall surface grain size distribution very little their presence has the ability to significantly increase the surface stability and hence alter overall sediment transport rates. Consequently, the interplay between the moderation of transport rate as a function of surface coarsening at a larger scale and moderation of transport rate as a function of the development of structure on the bed surface at the smaller scale is complicated and warrants further investigation. During experiments a unimodal grain size distribution (σg = 1.30, D50 = 8.8mm) was exposed to 3 different levels of constant discharge that produced sediment transport conditions ranging from marginal transport to conditions approaching full mobility of all size fractions. Sediment was re-circulated during the experiments surface grain size distribution bed load and fractional transport rates were measured at a high temporal resolution such that the time evolution of the beds could be fully described. Discussion concentrates on analysing the effects of the evolving bed condition sediment transport rate (capacity) and transported grain size (competence). The outcome of this

  13. Photon-assisted Andreev transport and sub-gap structures

    DEFF Research Database (Denmark)

    Wildt, M; Kutchinsky, Jonatan; Taboryski, Rafael Jozef

    2000-01-01

    We report new measurements of microwave-induced perturbations of the sub-harmonic energy gap structures in the current-voltage characteristics of superconductor-semiconductor-superconductor junctions. Around the sub-gap bias voltages associated with the enhanced quasi-particle transfer mediated...... by multiple Andreev reflection processes we observe microwave induced satellites, shifted in voltage by multiples of hf/en, where hf is the photon energy and n is the number of quasi-particle traversals as determined by the Andreev processes. The observed behavior is the analogue of the so-called photon...

  14. Neutron transport in structural materials and shielding design

    International Nuclear Information System (INIS)

    Salvatores, M.

    1979-01-01

    In this paper recent development in integral Benchmark experiments and their analysis is reviewed. The main problems related to data and method assesment are also briefly reviewed. In particular, the basic data processing and multigroup structure optimization and the effects of the basic data uncertainty evaluation are stressed. The representativity of an integral experiment from the designer point of view is indicated. Moreover a procedure to deduce design oriented bias factors is outlined. Cross section adjustments are indicated as a useful tool to reduce these bias factors and their uncertainties

  15. Sustainability of transport structures - some aspects of the nonlinear reliability assessment

    Science.gov (United States)

    Pukl, Radomír; Sajdlová, Tereza; Strauss, Alfred; Lehký, David; Novák, Drahomír

    2017-09-01

    Efficient techniques for both nonlinear numerical analysis of concrete structures and advanced stochastic simulation methods have been combined in order to offer an advanced tool for assessment of realistic behaviour, failure and safety assessment of transport structures. The utilized approach is based on randomization of the non-linear finite element analysis of the structural models. Degradation aspects such as carbonation of concrete can be accounted in order predict durability of the investigated structure and its sustainability. Results can serve as a rational basis for the performance and sustainability assessment based on advanced nonlinear computer analysis of the structures of transport infrastructure such as bridges or tunnels. In the stochastic simulation the input material parameters obtained from material tests including their randomness and uncertainty are represented as random variables or fields. Appropriate identification of material parameters is crucial for the virtual failure modelling of structures and structural elements. Inverse analysis using artificial neural networks and virtual stochastic simulations approach is applied to determine the fracture mechanical parameters of the structural material and its numerical model. Structural response, reliability and sustainability have been investigated on different types of transport structures made from various materials using the above mentioned methodology and tools.

  16. Development of an Acoustic Levitation Linear Transportation System Based on a Ring-Type Structure.

    Science.gov (United States)

    Thomas, Gilles P L; Andrade, Marco A B; Adamowski, Julio Cezar; Silva, Emilio Carlos Nelli

    2017-05-01

    A linear acoustic levitation transportation system based on a ring-type vibrator is presented. The system is composed by two 21-kHz Langevin transducers connected to a ring-shaped structure formed by two semicircular sections and two flat plates. In this system, a flexural standing wave is generated along the ring structure, producing an acoustic standing wave between the vibrating ring and a plane reflector located at a distance of approximately a half wavelength from the ring. The acoustic standing wave in air has a series of pressure nodes, where small particles can be levitated and transported. The ring-type transportation system was designed and analyzed by using the finite element method. Additionally, a prototype was built and the acoustic levitation and transport of a small polystyrene particle was demonstrated.

  17. Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology

    Science.gov (United States)

    Bolla, Jani Reddy; Su, Chih-Chia; Delmar, Jared A.; Radhakrishnan, Abhijith; Kumar, Nitin; Chou, Tsung-Han; Long, Feng; Rajashankar, Kanagalaghatta R.; Yu, Edward W.

    2015-04-01

    The potential of the folic acid biosynthesis pathway as a target for the development of antibiotics has been clinically validated. However, many pathogens have developed resistance to these antibiotics, prompting a re-evaluation of potential drug targets within the pathway. The ydaH gene of Alcanivorax borkumensis encodes an integral membrane protein of the AbgT family of transporters for which no structural information was available. Here we report the crystal structure of A. borkumensis YdaH, revealing a dimeric molecule with an architecture distinct from other families of transporters. YdaH is a bowl-shaped dimer with a solvent-filled basin extending from the cytoplasm to halfway across the membrane bilayer. Each subunit of the transporter contains nine transmembrane helices and two hairpins that suggest a plausible pathway for substrate transport. Further analyses also suggest that YdaH could act as an antibiotic efflux pump and mediate bacterial resistance to sulfonamide antimetabolite drugs.

  18. Structural instability of atmospheric flows under perturbations of the mass balance and effect in transport calculations

    International Nuclear Information System (INIS)

    Núñez, M A; Mendoza, R

    2015-01-01

    Several methods to estimate the velocity field of atmospheric flows, have been proposed to the date for applications such as emergency response systems, transport calculations and for budget studies of all kinds. These applications require a wind field that satisfies the conservation of mass but, in general, estimated wind fields do not satisfy exactly the continuity equation. An approach to reduce the effect of using a divergent wind field as input in the transport-diffusion equations, was proposed in the literature. In this work, a linear local analysis of a wind field, is used to show analytically that the perturbation of a large-scale nondivergent flow can yield a divergent flow with a substantially different structure. The effects of these structural changes in transport calculations are illustrated by means of analytic solutions of the transport equation

  19. Structural Basis for a Ribofuranosyl Binding Protein: Insights into the Furanose Specific Transport

    Energy Technology Data Exchange (ETDEWEB)

    Bagaria, A.; Swaminathan, S.; Kumaran, D.; Burley, S. K.

    2011-04-01

    The ATP-binding cassette transporters (ABC-transporters) are members of one of the largest protein superfamilies, with representatives in all extant phyla. These integral membrane proteins utilize the energy of ATP hydrolysis to carry out certain biological processes, including translocation of various substrates across membranes and non-transport related processes such as translation of RNA and DNA repair. Typically, such transport systems in bacteria consist of an ATP binding component, a transmembrane permease, and a periplasmic receptor or binding protein. Soluble proteins found in the periplasm of gram-negative bacteria serve as the primary receptors for transport of many compounds, such as sugars, small peptides, and some ions. Ligand binding activates these periplasmic components, permitting recognition by the membrane spanning domain, which supports for transport and, in some cases, chemotaxis. Transport and chemotaxis processes appear to be independent of one another, and a few mutants of bifunctional periplasmic components reveal the absence of one or the other function. Previously published high-resolution X-ray structures of various periplasmic ligand binding proteins include Arabinose binding protein (ABP), Allose binding protein (ALBP), Glucose-galactose binding protein (GBP) and Ribose binding protein (RBP). Each of these proteins consists of two structurally similar domains connected by a three-stranded hinge region, with ligand buried between the domains. Upon ligand binding and release, various conformational changes have been observed. For RBP, open (apo) and closed (ligand bound) conformations have been reported and so for MBP. The closed/active form of the protein interacts with the integral membrane component of the system in both transport and chemotaxis. Herein, we report 1.9{angstrom} resolution X-ray structure of the R{sub f}BP periplasmic component of an ABC-type sugar transport system from Hahella chejuensis (UniProt Id Q2S7D2) bound to

  20. Transportation

    International Nuclear Information System (INIS)

    Anon.

    1998-01-01

    Here is the decree of the thirtieth of July 1998 relative to road transportation, to trade and brokerage of wastes. It requires to firms which carry out a road transportation as well as to traders and to brokers of wastes to declare their operations to the prefect. The declaration has to be renewed every five years. (O.M.)

  1. COMPARISON OF SUSTAINABILITY BETWEEN PRIVATE AND PUBLIC TRANSPORT CONSIDERING URBAN STRUCTURE

    OpenAIRE

    Masanobu KII

    2003-01-01

    It is said that the car is convenient but consumes high-energy per passenger, while public transport is an environmentally friendly mode but needs high cost of investment and management. However, this view does not take account of urban structure such as population size and density. For instance, higher population density would cause congestion and consequent inconvenience for car usage. This may shift demand to public transport use. On the other hand, in a lower density of urban area, public...

  2. Flow structure and vorticity transport on a plunging wing

    Science.gov (United States)

    Eslam Panah, Azar

    The structure and dynamics of the flow field created by a plunging flat plate airfoil are investigated at a chord Reynolds number of 10,000 while varying plunge amplitude and Strouhal number. Digital particle image velocimetry measurements are used to characterize the shedding patterns and the interactions between the leading and trailing edge vortex structures (LEV and TEV), resulting in the development of a wake classification system based on the nature and timing of interactions between the leading- and trailing-edge vortices. The convection speed of the LEV and its resulting interaction with the TEV is primarily dependent on reduced frequency; however, at Strouhal numbers above approximately 0.4, a significant influence of Strouhal number (or plunge amplitude) is observed in which LEV convection is retarded, and the contribution of the LEV to the wake is diminished. It is shown that this effect is caused by an enhanced interaction between the LEV and the airfoil surface, due to a significant increase in the strength of the vortices in this Strouhal number range, for all plunge amplitudes investigated. Comparison with low-Reynolds-number studies of plunging airfoil aerodynamics reveals a high degree of consistency and suggests applicability of the classification system beyond the range examined in the present work. Some important differences are also observed. The three-dimensional flow field was characterized for a plunging two-dimensional flat-plate airfoil using three-dimensional reconstructions of planar PIV data. Whereas the phase-averaged description of the flow field shows the secondary vortex penetrating the leading-edge shear layer to terminate LEV formation on the airfoil, time-resolved, instantaneous PIV measurements show a continuous and growing entrainment of secondary vorticity into the shear layer and LEV. A planar control volume analysis on the airfoil indicated that the generation of secondary vorticity produced approximately one half the

  3. Heat Transport as a Probe of Superconducting Gap Structure

    International Nuclear Information System (INIS)

    Petrovic, C.; Shakeripour, H.; Taillefer, L.

    2009-01-01

    The structure of the superconducting gap provides important clues on the symmetry of the order parameter and the pairing mechanism. The presence of nodes in the gap function imposed by symmetry implies an unconventional order parameter, other than s-wave. Here we show how measurements of the thermal conductivity at very low temperature can be used to determine whether such nodes are present in a particular superconductor, and shed light on their nature and location. We focus on the residual linear term at T → 0. A finite value in zero magnetic field is strong evidence for symmetry-imposed nodes, and the dependence on impurity scattering can distinguish between a line of nodes or point nodes. Application of a magnetic field probes the low-energy quasiparticle excitations, whether associated with nodes or with a small value of the gap on some part of the Fermi surface, as in a multi-band superconductor. We frame our discussion around archetypal materials: Nb for s-wave, Tl 2 Ba 2 CuO 6+δ for d-wave, Sr 2 RuO 4 for p-wave, and NbSe 2 for multi-band superconductivity. In that framework, we discuss three heavy-fermion superconductors: CeIrIn 5 , CeCoIn 5 and UPt 3 .

  4. Structure and transport investigations on lithium-iron-phosphate glasses

    International Nuclear Information System (INIS)

    Banday, Azeem; Sharma, Monika; Murugavel, Sevi

    2016-01-01

    Cathode materials for Lithium Ion Batteries (LIB’s) are being constantly studied and reviewed especially in the past few decades. LiFePO_4 (LFP) is one of the most potential candidates in the pedigree of cathode materials and has been under extensive study ever since. In this work, we report the synthesis of amorphous analogs of crystallite LFP by conventional melt quenching method. Thermal study by using differential scanning calorimetry (DSC) was used to determine the glass transition T_g and crystallization T_c temperatures on the obtained glass sample Fourier transform infrared (FTIR) absorption spectroscopy is being used to investigate the structural properties of the glass sample. The intrinsic electrical conductivity measurements were done using broad-band impedance spectroscopy with wide different temperature ranges. The conduction mechanism is described by non-adiabatic small polaron hopping between nearest neighbors. Based on the obtained results, we suggest that the glassy LFP is more suitable cathode material as compared to its crystalline counterpart.

  5. Structure and transport properties of polymer grafted nanoparticles

    KAUST Repository

    Goyal, Sushmit; Escobedo, Fernando A.

    2011-01-01

    We perform molecular dynamics simulations on a bead-spring model of pure polymer grafted nanoparticles (PGNs) and of a blend of PGNs with a polymer melt to investigate the correlation between PGN design parameters (such as particle core concentration, polymer grafting density, and polymer length) and properties, such as microstructure, particle mobility, and viscous response. Constant strain-rate simulations were carried out to calculate viscosities and a constant-stress ensemble was used to calculate yield stresses. The PGN systems are found to have less structural order, lower viscosity, and faster diffusivity with increasing length of the grafted chains for a given core concentration or grafting density. Decreasing grafting density causes depletion effects associated with the chains leading to close contacts between some particle cores. All systems were found to shear thin, with the pure PGN systems shear thinning more than the blend; also, the pure systems exhibited a clear yielding behavior that was absent in the blend. Regarding the mechanism of shear thinning at the high shear rates examined, it was found that the shear-induced decrease of Brownian stresses and increase in chain alignment, both correlate with the reduction of viscosity in the system with the latter being more dominant. A coupling between Brownian stresses and chain alignment was also observed wherein the non-equilibrium particle distribution itself promotes chain alignment in the direction of shear. © 2011 American Institute of Physics.

  6. Electronic structure and transport properties of quasi-one-dimensional carbon nanomaterials

    Directory of Open Access Journals (Sweden)

    Y. N. Wu

    2017-09-01

    Full Text Available Based on the density functional theory combined with the nonequilibrium Green’s function, the influence of the wrinkle on the electronic structures and transport properties of quasi-one-dimensional carbon nanomaterials have been investigated, in which the wrinkled armchair graphene nanoribbons (wAGNRs and the composite of AGNRs and single walled carbon nanotubes (SWCNTs were considered with different connection of ripples. The wrinkle adjusts the electronic structures and transport properties of AGNRs. With the change of the strain, the wAGNRs for three width families reveal different electrical behavior. The band gap of AGNR(6 increases in the presence of the wrinkle, which is opposite to that of AGNR(5 and AGNR(7. The transport of AGNRs with the widths 6 or 7 has been modified by the wrinkle, especially by the number of isolated ripples, but it is insensitive to the strain. The nanojunctions constructed by AGNRs and SWCNTs can form the quantum wells, and some specific states are confined in wAGNRs. Although these nanojunctions exhibit the metallic, they have poor conductance due to the wrinkle. The filling of C20 into SWCNT has less influence on the electronic structure and transport of the junctions. The width and connection type of ripples have greatly influenced on the electronic structures and transport properties of quasi-one-dimensional nanomaterials.

  7. Influence of pore structure on solute transport in degraded and undegraded fen peat soils

    Directory of Open Access Journals (Sweden)

    C. Kleimeier

    2017-10-01

    Full Text Available In peat soils, decomposition and degradation reduce the proportion of large pores by breaking down plant debris into smaller fragments and infilling inter-particle pore spaces. This affects water flow and solute migration which, in turn, influence reactive transport processes and biogeochemical functions. In this study we conducted flow-through reactor experiments to investigate the interplay between pore structure and solute transport in samples of undegraded and degraded peat collected in Canada and Germany, respectively. The pore size distributions and transport parameters were characterised using the breakthrough curve and two-region non-equilibrium transport model analyses for a non-reactive solute. The results of transport characterisation showed a higher fraction of immobile pores in the degraded peat with higher diffusive exchanges of solutes between the mobile and immobile pores associated with the dual-porosity structure. The rates of steady-state potential nitrate reduction were compared with pore fractions and exchange coefficients to investigate the influence of pore structure on the rates of nitrate reduction. The results indicated that the degraded peat has potential to provide the necessary boundary conditions to support nitrate removal and serves as a favourable substrate for denitrification, due to the nature of its pore structure and its lower organic carbon content compared to undegraded peat.

  8. Electronic structure and transport properties of quasi-one-dimensional carbon nanomaterials

    Science.gov (United States)

    Wu, Y. N.; Cheng, P.; Wu, M. J.; Zhu, H.; Xiang, Q.; Ni, J.

    2017-09-01

    Based on the density functional theory combined with the nonequilibrium Green's function, the influence of the wrinkle on the electronic structures and transport properties of quasi-one-dimensional carbon nanomaterials have been investigated, in which the wrinkled armchair graphene nanoribbons (wAGNRs) and the composite of AGNRs and single walled carbon nanotubes (SWCNTs) were considered with different connection of ripples. The wrinkle adjusts the electronic structures and transport properties of AGNRs. With the change of the strain, the wAGNRs for three width families reveal different electrical behavior. The band gap of AGNR(6) increases in the presence of the wrinkle, which is opposite to that of AGNR(5) and AGNR(7). The transport of AGNRs with the widths 6 or 7 has been modified by the wrinkle, especially by the number of isolated ripples, but it is insensitive to the strain. The nanojunctions constructed by AGNRs and SWCNTs can form the quantum wells, and some specific states are confined in wAGNRs. Although these nanojunctions exhibit the metallic, they have poor conductance due to the wrinkle. The filling of C20 into SWCNT has less influence on the electronic structure and transport of the junctions. The width and connection type of ripples have greatly influenced on the electronic structures and transport properties of quasi-one-dimensional nanomaterials.

  9. Multiple trapping on a comb structure as a model of electron transport in disordered nanostructured semiconductors

    International Nuclear Information System (INIS)

    Sibatov, R. T.; Morozova, E. V.

    2015-01-01

    A model of dispersive transport in disordered nanostructured semiconductors has been proposed taking into account the percolation structure of a sample and joint action of several mechanisms. Topological and energy disorders have been simultaneously taken into account within the multiple trapping model on a comb structure modeling the percolation character of trajectories. The joint action of several mechanisms has been described within random walks with a mixture of waiting time distributions. Integral transport equations with fractional derivatives have been obtained for an arbitrary density of localized states. The kinetics of the transient current has been calculated within the proposed new model in order to analyze time-of-flight experiments for nanostructured semiconductors

  10. On the carrier transport in metal-insulator-metal structures for CdTe thin film

    International Nuclear Information System (INIS)

    Choi, K.W.; Choi, C.K.

    1982-01-01

    According to the energy band model for the Al-CdTe-Ag sandwich structure, we have investigate to the mechanism of the current limited transport(CLT). As the bias voltage applied to the Alsup(+) and Agsup(+) electrode, the potential barrier difference for this structure was found 0.2eV. From what this results, we conclude that the mechanism of the current limited transport due to the potential barrier of the contact limited current. Not only this phenomena but also the annealing effect of thin film was shown that the distingushable for virgin film. (Author)

  11. Transportation

    National Research Council Canada - National Science Library

    Allshouse, Michael; Armstrong, Frederick Henry; Burns, Stephen; Courts, Michael; Denn, Douglas; Fortunato, Paul; Gettings, Daniel; Hansen, David; Hoffman, D. W; Jones, Robert

    2007-01-01

    .... The ability of the global transportation industry to rapidly move passengers and products from one corner of the globe to another continues to amaze even those wise to the dynamics of such operations...

  12. Interfacial structures and area transport in upward and downward two-phase flow

    International Nuclear Information System (INIS)

    Paranjape, S. S.; Kim, S.; Ishii, M.; Kelly, J.

    2003-01-01

    An experimental study has been carried out for upward and downward two-phase flow to study local interfacial structures and interfacial area transport. The flow studied, is an adiabatic, air-water, co-current, two-phase flow, in 25.4 mm and 50.8 mm ID test sections. Flow regime map is obtained using the characteristic signals obtained from an impedance void meter, employing neural network based identification methodology. A four sensor conductivity probe is used to measure the local two phase flow parameters, in bubbly flow regime. The local profiles of these parameters as well as their axial development reveal the nature of the interfacial structures and the bubble interaction mechanisms occurring in the flow. Furthermore, this study provides a good database for the development of the interfacial area transport equation, which dynamically models the changes in the interfacial area along a flow field. An interfacial area transport equation is used for downward flow based on that developed for the upward flow, with certain modifications in the bubble interaction terms. The area averaged values of the interfacial area concentration are compared with those predicted by the interfacial area transport model. The differences in the interfacial structures and interfacial area transport in co-current downward and upward two-phase flows are studied

  13. Tailoring atomic structure to control the electronic transport in zigzag graphene nanoribbon

    International Nuclear Information System (INIS)

    Zeng, Hui; Zhao, Jun; Wei, Jianwei; Zeng, Xianliang; Xu, Yang

    2012-01-01

    We have performed ab initio density functional theory calculation to study the electronic transport properties of the tailored zigzag-edged graphene nanoribbon (ZGNR) with particular electronic transport channels. Our results demonstrated that tailoring the atomic structure had significantly influenced the electronic transport of the defective nanostructures, and could lead to the metal-semiconducting transition when sufficient atoms are tailored. The asymmetric I–V characteristics as a result of symmetry breaking have been exhibited, which indicates the route to utilize GNR as a basic component for novel nanoelectronics. -- Highlights: ► M–S transition induced by tailoring nanostructure. ► Asymmetric I–V curve due to symmetry breaking. ► Controllable electron transport by designing nanofiguration.

  14. Tailoring atomic structure to control the electronic transport in zigzag graphene nanoribbon

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Hui [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zhao, Jun, E-mail: zhaojun@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Zeng, Xianliang [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Xu, Yang [Department of Information Science and Electronic Engineering, Zhejiang University, Hangzhou, Zhejiang 310027 (China)

    2012-10-01

    We have performed ab initio density functional theory calculation to study the electronic transport properties of the tailored zigzag-edged graphene nanoribbon (ZGNR) with particular electronic transport channels. Our results demonstrated that tailoring the atomic structure had significantly influenced the electronic transport of the defective nanostructures, and could lead to the metal-semiconducting transition when sufficient atoms are tailored. The asymmetric I–V characteristics as a result of symmetry breaking have been exhibited, which indicates the route to utilize GNR as a basic component for novel nanoelectronics. -- Highlights: ► M–S transition induced by tailoring nanostructure. ► Asymmetric I–V curve due to symmetry breaking. ► Controllable electron transport by designing nanofiguration.

  15. Risk Assessment of Structural Integrity of Transportation Casks after Extended Storage

    Energy Technology Data Exchange (ETDEWEB)

    Ibarra, Luis; Medina, Ricardo; Yang, Haori

    2018-03-23

    This study assessed the risk of loss of structural integrity of transportation casks and fuel cladding after extended storage. Although it is known that fuel rods discharged from NPPs have a small percentage of rod cladding defects, the behavior of fuel cladding and the structural elements of assemblies during transportation after long-term storage is not well understood. If the fuel degrades during extended storage, it could be susceptible to damage from vibration and impact loads during transport operations, releasing fission-product gases into the canister or the cask interior (NWTRB 2010). Degradation of cladding may occur due to mechanisms associated with hydrogen embrittlement, delayed hydride cracking, low temperature creep, and stress corrosion cracking (SCC) that may affect fuel cladding and canister components after extended storage of hundreds of years. Over extended periods at low temperatures, these mechanisms affect the ductility, strength, and fracture toughness of the fuel cladding, which becomes brittle. For transportation purposes, the fuel may be transferred from storage to shipping casks, or dual-purpose casks may be used for storage and transportation. Currently, most of the transportation casks will be the former case. A risk assessment evaluation is conducted based on results from experimental tests and simulations with advanced numerical models. A novel contribution of this study is the evaluation of the combined effect of component aging and vibration/impact loads in transportation scenarios. The expected levels of deterioration will be obtained from previous and current studies on the effect of aging on fuel and cask components. The emphasis of the study is placed on the structural integrity of fuel cladding and canisters.

  16. Electronic properties of mesoscopic graphene structures: Charge confinement and control of spin and charge transport

    Energy Technology Data Exchange (ETDEWEB)

    Rozhkov, A.V., E-mail: arozhkov@gmail.co [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412, Moscow (Russian Federation); Giavaras, G. [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Bliokh, Yury P. [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Freilikher, Valentin [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, Bar-Ilan University, Ramat-Gan 52900 (Israel); Nori, Franco [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, University of Michigan, Ann Arbor, MI 48109-1040 (United States)

    2011-06-15

    This brief review discusses electronic properties of mesoscopic graphene-based structures. These allow controlling the confinement and transport of charge and spin; thus, they are of interest not only for fundamental research, but also for applications. The graphene-related topics covered here are: edges, nanoribbons, quantum dots, pn-junctions, pnp-structures, and quantum barriers and waveguides. This review is partly intended as a short introduction to graphene mesoscopics.

  17. In-service inspection methods for graphite-epoxy structures on commercial transport aircraft

    Science.gov (United States)

    Phelps, M. L.

    1981-01-01

    In-service inspection methods for graphite-epoxy composite structures on commercial transport aircraft are determined. Graphite/epoxy structures, service incurred defects, current inspection practices and concerns of the airline and manufacturers, and other related information were determind by survey. Based on this information, applicable inspection nondestructive inspection methods are evaluated and inspection techniques determined. Technology is developed primarily in eddy current inspection.

  18. Combined Structural and Compositional Evolution of Planetary Rings Due to Micrometeoroid Impacts and Ballistic Transport

    Science.gov (United States)

    Estrada, Paul R.; Durisen, Richard H.; Cuzzi, Jeffrey N.; Morgan, Demitri A.

    2015-01-01

    We introduce improved numerical techniques for simulating the structural and compositional evolution of planetary rings due to micrometeoroid bombardment and subsequent ballistic transport of impact ejecta. Our current, robust code is capable of modeling structural changes and pollution transport simultaneously over long times on both local and global scales. In this paper, we describe the methodology based on the original structural code of Durisen et al. (1989, Icarus 80, 136-166) and on the pollution transport code of Cuzzi and Estrada (1998, Icarus 132, 1-35). We provide demonstrative simulations to compare with, and extend upon previous work, as well as examples of how ballistic transport can maintain the observed structure in Saturn's rings using available Cassini occultation optical depth data. In particular, we explicitly verify the claim that the inner B (and presumably A) ring edge can be maintained over long periods of time due to an ejecta distribution that is heavily biased in the prograde direction through a balance between the sharpening effects of ballistic transport and the broadening effects of viscosity. We also see that a "ramp"-like feature forms over time just inside that edge. However, it does not remain linear for the duration of the runs presented here unless a less steep ejecta velocity distribution is adopted. We also model the C ring plateaus and find that their outer edges can be maintained at their observed sharpness for long periods due to ballistic transport. We hypothesize that the addition of a significant component of a retrograde-biased ejecta distribution may help explain the linearity of the ramp and is probably essential for maintaining the sharpness of C ring plateau inner edges. This component would arise for the subset of micrometeoroid impacts which are destructive rather than merely cratering. Such a distribution will be introduced in future work.

  19. Computer module for scheduling of transportation of composite beam bridge structures

    Directory of Open Access Journals (Sweden)

    Bożejko Wojciech

    2016-01-01

    Full Text Available The paper presents the theoretical basis, an algorithm and a computer module system supporting scheduling of transportation and assembly of structures of the composite beam bridge implemented in a Just In Time system (JIT. Tabu search method has been used in the optimization procedure.

  20. Solution structure and elevator mechanism of the membrane electron transporter CcdA.

    Science.gov (United States)

    Zhou, Yunpeng; Bushweller, John H

    2018-02-01

    Membrane oxidoreductase CcdA plays a central role in supplying reducing equivalents from the bacterial cytoplasm to the envelope. It transports electrons across the membrane using a single pair of cysteines by a mechanism that has not yet been elucidated. Here we report an NMR structure of the Thermus thermophilus CcdA (TtCcdA) in an oxidized and outward-facing state. CcdA consists of two inverted structural repeats of three transmembrane helices (2 × 3-TM). We computationally modeled and experimentally validated an inward-facing state, which suggests that CcdA uses an elevator-type movement to shuttle the reactive cysteines across the membrane. CcdA belongs to the LysE superfamily, and thus its structure may be relevant to other LysE clan transporters. Structure comparisons of CcdA, semiSWEET, Pnu, and major facilitator superfamily (MFS) transporters provide insights into membrane transporter architecture and mechanism.

  1. Electronic structure and transport of a carbon chain between graphene nanoribbon leads

    International Nuclear Information System (INIS)

    Zhang, G P; Fang, X W; Yao, Y X; Wang, C Z; Ho, K M; Ding, Z J

    2011-01-01

    The electronic structure and transport property of a carbon chain between two graphene nanoribbon leads are studied using an ab initio tight-binding (TB) model and Landauer's formalism combined with a non-equilibrium Green's function. The TB Hamiltonian and overlap matrices are extracted from first-principles density functional calculations through the quasi-atomic minimal basis orbital scheme. The accuracy of the TB model is demonstrated by comparing the electronic structure from the TB model with that from first-principles density functional theory. The results of electronic transport on a carbon atomic chain connected to armchair and zigzag graphene ribbon leads, such as different transport characters near the Fermi level and at most one quantized conductance, reveal the effect of the electronic structure of the leads and the scattering from the atomic chain. In addition, bond length alternation and an interesting transmission resonance are observed in the atomic chain connected to zigzag graphene ribbon leads. Our approach provides a promising route to quantitative investigation of both the electronic structure and transport property of large systems.

  2. Nanoscale spin-dependent transport of electrons and holes in Si-ferromagnet structures

    NARCIS (Netherlands)

    Ul Haq, E.

    Given the rapid development of magnetic data storage and spin-electronics into the realm of nanotechnology, the understanding of the spin-dependent electronic transport and switching behavior of magnetic structures at the nanoscale is an important issue. We have developed spin-sensitive techniques

  3. Current structure and volume transport across 12 degrees N in the Bay of Bengal

    Digital Repository Service at National Institute of Oceanography (India)

    Murty, V.S.N.; Suryanarayana, A.; Rao, D.P.

    of India from April to September. Current structure in November is similar to that in September with a shift in the current bands. Transport in the upper 1000 m between the stations exhibits a reversal west of 83 degrees E from April to September and east...

  4. Electronic transport in graphene-based structures: An effective cross-section approach

    DEFF Research Database (Denmark)

    Uppstu, Andreas; Saloriutta, Karri; Harju, Ari

    2012-01-01

    We show that transport in low-dimensional carbon structures with finite concentrations of scatterers can be modeled by utilizing scaling theory and effective cross sections. Our results are based on large-scale numerical simulations of carbon nanotubes and graphene nanoribbons, using a tight...

  5. Structure-Function Relationship of Transporters in the Glutamate–Glutamine Cycle of the Central Nervous System

    Directory of Open Access Journals (Sweden)

    Mariko Kato Hayashi

    2018-04-01

    Full Text Available Many kinds of transporters contribute to glutamatergic excitatory synaptic transmission. Glutamate is loaded into synaptic vesicles by vesicular glutamate transporters to be released from presynaptic terminals. After synaptic vesicle release, glutamate is taken up by neurons or astrocytes to terminate the signal and to prepare for the next signal. Glutamate transporters on the plasma membrane are responsible for transporting glutamate from extracellular fluid to cytoplasm. Glutamate taken up by astrocyte is converted to glutamine by glutamine synthetase and transported back to neurons through glutamine transporters on the plasma membranes of the astrocytes and then on neurons. Glutamine is converted back to glutamate by glutaminase in the neuronal cytoplasm and then loaded into synaptic vesicles again. Here, the structures of glutamate transporters and glutamine transporters, their conformational changes, and how they use electrochemical gradients of various ions for substrate transport are summarized. Pharmacological regulations of these transporters are also discussed.

  6. Development of a structural health monitoring system for the life assessment of critical transportation infrastructure.

    Energy Technology Data Exchange (ETDEWEB)

    Roach, Dennis Patrick; Jauregui, David Villegas (New Mexico State University, Las Cruces, NM); Daumueller, Andrew Nicholas (New Mexico State University, Las Cruces, NM)

    2012-02-01

    Recent structural failures such as the I-35W Mississippi River Bridge in Minnesota have underscored the urgent need for improved methods and procedures for evaluating our aging transportation infrastructure. This research seeks to develop a basis for a Structural Health Monitoring (SHM) system to provide quantitative information related to the structural integrity of metallic structures to make appropriate management decisions and ensuring public safety. This research employs advanced structural analysis and nondestructive testing (NDT) methods for an accurate fatigue analysis. Metal railroad bridges in New Mexico will be the focus since many of these structures are over 100 years old and classified as fracture-critical. The term fracture-critical indicates that failure of a single component may result in complete collapse of the structure such as the one experienced by the I-35W Bridge. Failure may originate from sources such as loss of section due to corrosion or cracking caused by fatigue loading. Because standard inspection practice is primarily visual, these types of defects can go undetected due to oversight, lack of access to critical areas, or, in riveted members, hidden defects that are beneath fasteners or connection angles. Another issue is that it is difficult to determine the fatigue damage that a structure has experienced and the rate at which damage is accumulating due to uncertain history and load distribution in supporting members. A SHM system has several advantages that can overcome these limitations. SHM allows critical areas of the structure to be monitored more quantitatively under actual loading. The research needed to apply SHM to metallic structures was performed and a case study was carried out to show the potential of SHM-driven fatigue evaluation to assess the condition of critical transportation infrastructure and to guide inspectors to potential problem areas. This project combines the expertise in transportation infrastructure at New

  7. Antibiotic Resistance Mediated by the MacB ABC Transporter Family: A Structural and Functional Perspective

    Directory of Open Access Journals (Sweden)

    Nicholas P. Greene

    2018-05-01

    Full Text Available The MacB ABC transporter forms a tripartite efflux pump with the MacA adaptor protein and TolC outer membrane exit duct to expel antibiotics and export virulence factors from Gram-negative bacteria. Here, we review recent structural and functional data on MacB and its homologs. MacB has a fold that is distinct from other structurally characterized ABC transporters and uses a unique molecular mechanism termed mechanotransmission. Unlike other bacterial ABC transporters, MacB does not transport substrates across the inner membrane in which it is based, but instead couples cytoplasmic ATP hydrolysis with transmembrane conformational changes that are used to perform work in the extra-cytoplasmic space. In the MacAB-TolC tripartite pump, mechanotransmission drives efflux of antibiotics and export of a protein toxin from the periplasmic space via the TolC exit duct. Homologous tripartite systems from pathogenic bacteria similarly export protein-like signaling molecules, virulence factors and siderophores. In addition, many MacB-like ABC transporters do not form tripartite pumps, but instead operate in diverse cellular processes including antibiotic sensing, cell division and lipoprotein trafficking.

  8. Antibiotic Resistance Mediated by the MacB ABC Transporter Family: A Structural and Functional Perspective

    Science.gov (United States)

    Greene, Nicholas P.; Kaplan, Elise; Crow, Allister; Koronakis, Vassilis

    2018-01-01

    The MacB ABC transporter forms a tripartite efflux pump with the MacA adaptor protein and TolC outer membrane exit duct to expel antibiotics and export virulence factors from Gram-negative bacteria. Here, we review recent structural and functional data on MacB and its homologs. MacB has a fold that is distinct from other structurally characterized ABC transporters and uses a unique molecular mechanism termed mechanotransmission. Unlike other bacterial ABC transporters, MacB does not transport substrates across the inner membrane in which it is based, but instead couples cytoplasmic ATP hydrolysis with transmembrane conformational changes that are used to perform work in the extra-cytoplasmic space. In the MacAB-TolC tripartite pump, mechanotransmission drives efflux of antibiotics and export of a protein toxin from the periplasmic space via the TolC exit duct. Homologous tripartite systems from pathogenic bacteria similarly export protein-like signaling molecules, virulence factors and siderophores. In addition, many MacB-like ABC transporters do not form tripartite pumps, but instead operate in diverse cellular processes including antibiotic sensing, cell division and lipoprotein trafficking. PMID:29892271

  9. Possible effects of drift wave turbulence on magnetic structure and plasma transport in tokamaks

    International Nuclear Information System (INIS)

    Callen, J.D.

    1977-07-01

    A new mechanism is proposed by which low level, drift wave type fluctuations, such as those observed in the ATC and TFR experiments, can cause anomalous radial electron heat transport in tokamaks. The model is based on the fact that since transport processes parallel to the magnetic field are many orders of magnitude more rapid than perpendicular ones, very small helically resonant magnetic perturbations that cause field lines to move radially allow the parallel transport process to contribute to radial electron heat transport. It is hypothesized that the small magnetic perturbations accompanying drift waves at any nonzero plasma β are large enough to produce significant effects in present tokamak experiments. The helical magnetic component of drift waves produces magnetic island structures whose spatial widths can easily exceed the ion gyroradius. In a drift wave oscillation period, electrons circumnavigate a magnetic island, whereas the slower moving ions see only a tilt of the magnetic field lines. Thus, electrons try to diffuse radially more rapidly than ions; however, a radialpotential builds up on a very short time scale to confine the electrons electrostatically and thereby keep the particle diffusion ambipolar. Nonetheless, this parallel electron diffusion process does cause net radial electron heat conduction through an ensemble of closely packed island structures. The heat conduction coefficient is estimated. Other effects that these magnetic flutters may have on plasma transport and runaway electron processes are also discussed

  10. Influence of transport mechanisms on nucleation and grain structure formation in DC cast aluminium alloy ingots

    Science.gov (United States)

    Bedel, M.; Založnik, M.; Kumar, A.; Combeau, H.; Jarry, P.; Waz, E.

    2012-01-01

    The grain structure formation in direct chill (DC) casting is directly linked to nucleation, which is generally promoted by inoculation. Inoculation prevents defects, but also modifies the physical properties by changing the microstructure. We studied the coupling of the nucleation on inoculant particles and the grain growth in the presence of melt flow induced by thermosolutal convection and of the transport of free-floating equiaxed grains. We used a volume-averaged two-phase multiscale model with a fully coupled description of phenomena on the grain scale (nucleation on grain refiner particles and grain growth) and on the product scale (macroscopic transport). The transport of inoculant particles is also modeled, which accounts for the inhomogeneous distribution of inoculant particles in the melt. The model was applied to an industrial sized (350mm thick) DC cast aluminium alloy ingot. A discretised nuclei size distribution was defined and the impact of different macroscopic phenomena on the grain structure formation was studied: the zone and intensity of nucleation and the resulting grain size distribution. It is shown that nucleation in the presence of macroscopic transport cannot be explained only in terms of cooling rate, but variations of composition, nuclei density and grain density, all affected by transport, must be accounted for.

  11. Spin Transport in Nondegenerate Si with a Spin MOSFET Structure at Room Temperature

    Science.gov (United States)

    Sasaki, Tomoyuki; Ando, Yuichiro; Kameno, Makoto; Tahara, Takayuki; Koike, Hayato; Oikawa, Tohru; Suzuki, Toshio; Shiraishi, Masashi

    2014-09-01

    Spin transport in nondegenerate semiconductors is expected to pave the way to the creation of spin transistors, spin logic devices, and reconfigurable logic circuits, because room-temperature (RT) spin transport in Si has already been achieved. However, RT spin transport has been limited to degenerate Si, which makes it difficult to produce spin-based signals because a gate electric field cannot be used to manipulate such signals. Here, we report the experimental demonstration of spin transport in nondegenerate Si with a spin metal-oxide-semiconductor field-effect transistor (MOSFET) structure. We successfully observe the modulation of the Hanle-type spin-precession signals, which is a characteristic spin dynamics in nondegenerate semiconductors. We obtain long spin transport of more than 20 μm and spin rotation greater than 4π at RT. We also observe gate-induced modulation of spin-transport signals at RT. The modulation of the spin diffusion length as a function of a gate voltage is successfully observed, which we attribute to the Elliott-Yafet spin relaxation mechanism. These achievements are expected to lead to the creation of practical Si-based spin MOSFETs.

  12. Computational Approaches for Revealing the Structure of Membrane Transporters: Case Study on Bilitranslocase

    Directory of Open Access Journals (Sweden)

    Katja Venko

    Full Text Available The structural and functional details of transmembrane proteins are vastly underexplored, mostly due to experimental difficulties regarding their solubility and stability. Currently, the majority of transmembrane protein structures are still unknown and this present a huge experimental and computational challenge. Nowadays, thanks to X-ray crystallography or NMR spectroscopy over 3000 structures of membrane proteins have been solved, among them only a few hundred unique ones. Due to the vast biological and pharmaceutical interest in the elucidation of the structure and the functional mechanisms of transmembrane proteins, several computational methods have been developed to overcome the experimental gap. If combined with experimental data the computational information enables rapid, low cost and successful predictions of the molecular structure of unsolved proteins. The reliability of the predictions depends on the availability and accuracy of experimental data associated with structural information. In this review, the following methods are proposed for in silico structure elucidation: sequence-dependent predictions of transmembrane regions, predictions of transmembrane helix–helix interactions, helix arrangements in membrane models, and testing their stability with molecular dynamics simulations. We also demonstrate the usage of the computational methods listed above by proposing a model for the molecular structure of the transmembrane protein bilitranslocase. Bilitranslocase is bilirubin membrane transporter, which shares similar tissue distribution and functional properties with some of the members of the Organic Anion Transporter family and is the only member classified in the Bilirubin Transporter Family. Regarding its unique properties, bilitranslocase is a potentially interesting drug target. Keywords: Membrane proteins, Bilitranslocase, 3D protein structure, Transmembrane region predictors, Helix–helix interactions

  13. Structure and elevator mechanism of the Na+-citrate transporter CitS.

    Science.gov (United States)

    Lolkema, Juke S; Slotboom, Dirk Jan

    2017-08-01

    The recently determined crystal structure of the bacterial Na + -citrate symporter CitS provides unexpected structural and mechanistic insights. The protein has a fold that has not been seen in other proteins, but the oligomeric state, domain organization and proposed transport mechanism strongly resemble those of the sodium-dicarboxylate symporter vcINDY, and the putative exporters YdaH and MtrF, thus hinting at convergence in structure and function. CitS and the related proteins are predicted to translocate their substrates by an elevator-like mechanism, in which a compact transport domain slides up and down through the membrane while the dimerization domain is stably anchored. Here we review the large body of available biochemical data on CitS in the light of the new crystal structure. We show that the biochemical data are fully consistent with the proposed elevator mechanism, but also demonstrate that the current structural data cannot explain how strict coupling of citrate and Na + transport is achieved. We propose a testable model for the coupling mechanism. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Transport, Structural and Mechanical Properties of Quaternary FeVTiAl Alloy

    Science.gov (United States)

    Bhat, Tahir Mohiuddin; Gupta, Dinesh C.

    2016-11-01

    The electronic, structural, magnetic and transport properties of FeVTiAl quaternary alloy have been investigated within the framework of density functional theory. The material is a completely spin-polarized half-metallic ferromagnet in its ground state with F-43m structure. The structural stability was further confirmed by elastic constants in the cubic phase with high Young's modulus and brittle nature. The present study predicts an energy band gap of 0.72 eV in a localized minority spin channel at equilibrium lattice parameter of 6.00 Å. The transport properties of the material are discussed based on the Seebeck coefficient, and electrical and thermal conductivity coefficients. The alloy presents large values of Seebeck coefficients, ~39 μV K-1 at room temperature (300 K), and has an excellent thermoelectric performance with ZT = ~0.8.

  15. Quantum transport model for zigzag molybdenum disulfide nanoribbon structures : A full quantum framework

    International Nuclear Information System (INIS)

    Chen, Chun-Nan; Shyu, Feng-Lin; Chung, Hsien-Ching; Lin, Chiun-Yan; Wu, Jhao-Ying

    2016-01-01

    Mainly based on non-equilibrium Green’s function technique in combination with the three-band model, a full atomistic-scale and full quantum method for solving quantum transport problems of a zigzag-edge molybdenum disulfide nanoribbon (zMoSNR) structure is proposed here. For transport calculations, the relational expressions of a zMoSNR crystalline solid and its whole device structure are derived in detail and in its integrity. By adopting the complex-band structure method, the boundary treatment of this open boundary system within the non-equilibrium Green’s function framework is so straightforward and quite sophisticated. The transmission function, conductance, and density of states of zMoSNR devices are calculated using the proposed method. The important findings in zMoSNR devices such as conductance quantization, van Hove singularities in the density of states, and contact interaction on channel are presented and explored in detail.

  16. Quantum transport model for zigzag molybdenum disulfide nanoribbon structures : A full quantum framework

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Chun-Nan, E-mail: quantum@mail.tku.edu.tw, E-mail: ccn1114@kimo.com [Quantum Engineering Laboratory, Department of Physics, Tamkang University, Tamsui, New Taipei 25137, Taiwan (China); Shyu, Feng-Lin [Department of Physics, R.O.C. Military Academy, Kaohsiung 830, Taiwan (China); Chung, Hsien-Ching; Lin, Chiun-Yan [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan (China); Wu, Jhao-Ying [Center of General Studies, National Kaohsiung Marine University, Kaohsiung 811, Taiwan (China)

    2016-08-15

    Mainly based on non-equilibrium Green’s function technique in combination with the three-band model, a full atomistic-scale and full quantum method for solving quantum transport problems of a zigzag-edge molybdenum disulfide nanoribbon (zMoSNR) structure is proposed here. For transport calculations, the relational expressions of a zMoSNR crystalline solid and its whole device structure are derived in detail and in its integrity. By adopting the complex-band structure method, the boundary treatment of this open boundary system within the non-equilibrium Green’s function framework is so straightforward and quite sophisticated. The transmission function, conductance, and density of states of zMoSNR devices are calculated using the proposed method. The important findings in zMoSNR devices such as conductance quantization, van Hove singularities in the density of states, and contact interaction on channel are presented and explored in detail.

  17. A structural evaluation of the Shippingport reactor pressure vessel for transport impact conditions

    International Nuclear Information System (INIS)

    Witte, M.C.; Chou, C.K.

    1989-01-01

    The Shippingport Atomic Power Station in Shippingport, Pennsylvania, is being decommissioned and dismantled. This government-leased property will be returned, in a radiologically safe condition, to its owner. All radioactive material is being removed from the Shippingport Station and transported for burial to the DOE Hanford Reservation in Richland, Washington. The reactor pressure vessel (RPV) will be transported by barge to Hanford. This paper describes an evaluation of the structural response of the RPV to the normal and accident impact test conditions as required by the Code of Federal Regulations. 3 refs., 5 figs., 3 tabs

  18. Development of pressure containment and damage tolerance technology for composite fuselage structures in large transport aircraft

    Science.gov (United States)

    Smith, P. J.; Thomson, L. W.; Wilson, R. D.

    1986-01-01

    NASA sponsored composites research and development programs were set in place to develop the critical engineering technologies in large transport aircraft structures. This NASA-Boeing program focused on the critical issues of damage tolerance and pressure containment generic to the fuselage structure of large pressurized aircraft. Skin-stringer and honeycomb sandwich composite fuselage shell designs were evaluated to resolve these issues. Analyses were developed to model the structural response of the fuselage shell designs, and a development test program evaluated the selected design configurations to appropriate load conditions.

  19. IMPROVEMENT OF THE SUPPORTING STRUCTURE OF PLATFORM CAR FOR HIGHER EFFICIENCY OF CONTAINER TRANSPORTATIONS

    Directory of Open Access Journals (Sweden)

    A. O. Lovska

    2017-02-01

    Full Text Available Purpose. The article is aimed to improve supporting structures of the platform car to increase the efficiency of container transportations. Methodology. In order to achieve the objective, the strength investigations of the universal platform car of the model 13-401 were conducted, strength reserves of the supporting elements were defined, and more optimal profiles of basic longitudinal beams of the frame in terms of the minimum material capacity were proposed. Decision correctness was confirmed by the strength calculation of the platform car supporting structure at basic loading operational modes and fatigue taking into account the research database of 107 cycles. It has been proposed to equip a platform car with swing fitting stops for fastening containers on the frame, which allows transportation of 20ft and 40ft containers. In order to improve container transportation efficiency along international transport corridors running through Ukraine, a platform car of articulated type has been designed on the base of the improved platform car structure. The mathematical simulation of dynamic loads of the platform car with containers (two 1CC containers at operational loading modes has been carried out, the maximum accelerations influencing the support structure have been defined, and their multiple values have been considered in computer simulation of the strength of the platform car of articulated type. Findings. The support structure of the platform car of articulated type on the basis of the standard platform car has been developed. Refined values of dynamic loads influencing supporting structure the platform car of articulated type with containers at operational loading modes have been obtained; the maximum equivalent stresses in the platform car support structure have been defined. Originality and practical value. A mathematical model of displacements for a platform car of articulated type with containers at operational loading modes of

  20. Transportation

    Science.gov (United States)

    2007-01-01

    Faculty ii INDUSTRY TRAVEL Domestic Assistant Deputy Under Secretary of Defense (Transportation Policy), Washington, DC Department of...developed between the railroad and trucking industries. Railroads: Today’s seven Class I freight railroad systems move 42% of the nation’s intercity ...has been successfully employed in London to reduce congestion and observed by this industry study during its travels . It is currently being

  1. Structural model of a putrescine-cadaverine permease from Trypanosoma cruzi predicts residues vital for transport and ligand binding

    NARCIS (Netherlands)

    Soysa, R.; Venselaar, H.; Poston, J.; Ullman, B.; Hasne, M.P.

    2013-01-01

    The TcPOT1.1 gene from Trypanosoma cruzi encodes a high affinity putrescine-cadaverine transporter belonging to the APC (amino acid/polyamine/organocation) transporter superfamily. No experimental three-dimensional structure exists for any eukaryotic member of the APC family, and thus the structural

  2. Transport equations, Level Set and Eulerian mechanics. Application to fluid-structure coupling

    International Nuclear Information System (INIS)

    Maitre, E.

    2008-11-01

    My works were devoted to numerical analysis of non-linear elliptic-parabolic equations, to neutron transport equation and to the simulation of fabrics draping. More recently I developed an Eulerian method based on a level set formulation of the immersed boundary method to deal with fluid-structure coupling problems arising in bio-mechanics. Some of the more efficient algorithms to solve the neutron transport equation make use of the splitting of the transport operator taking into account its characteristics. In the present work we introduced a new algorithm based on this splitting and an adaptation of minimal residual methods to infinite dimensional case. We present the case where the velocity space is of dimension 1 (slab geometry) and 2 (plane geometry) because the splitting is simpler in the former

  3. Atomistic simulations of divacancy defects in armchair graphene nanoribbons: Stability, electronic structure, and electron transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Jun [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zeng, Hui, E-mail: zenghui@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Li, Biao; Xu, Dahai [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China)

    2014-01-17

    Using the first principles calculations associated with nonequilibrium Green's function, we have studied the electronic structures and quantum transport properties of defective armchair graphene nanoribbon (AGNR) in the presence of divacancy defects. The triple pentagon–triple heptagon (555–777) defect in the defective AGNR is energetically more favorable than the pentagon–octagon–pentagon (5–8–5) defect. Our calculated results reveal that both 5–8–5-like defect and 555–777-like defect in AGNR could improve the electron transport. It is anticipated that defective AGNRs can exhibit large range variations in transport behaviors, which are strongly dependent on the distributions of the divacancy defect.

  4. Skylab and solar exploration. [chromosphere-corona structure, energy production and heat transport processes

    Science.gov (United States)

    Von Puttkamer, J.

    1973-01-01

    Review of some of the findings concerning solar structure, energy production, and heat transport obtained with the aid of the manned Skylab space station observatory launched on May 14, 1973. Among the topics discussed are the observation of thermonuclear fusion processes which cannot be simulated on earth, the observation of short-wave solar radiation not visible to observers on earth, and the investigation of energy-transport processes occurring in the photosphere, chromosphere, and corona. An apparent paradox is noted in that the cooler chromosphere is heating the hotter corona, seemingly in defiance of the second law of thermodynamics, thus suggesting that a nonthermal mechanism underlies the energy transport. Understanding of this nonthermal mechanism is regarded as an indispensable prerequisite for future development of plasma systems for terrestrial applications.

  5. Controlling heat transport and flow structures in thermal turbulence using ratchet surfaces

    Science.gov (United States)

    Sun, Chao; Jiang, Hechuan; Zhu, Xiaojue; Mathai, Varghese; Verzicco, Roberto; Lohse, Detlef

    2017-11-01

    In this combined experimental and numerical study on thermally driven turbulence in a rectangular cell, the global heat transport and the coherent flow structures are controlled with an asymmetric ratchet-like roughness on the top and bottom plates. We show that, by means of symmetry breaking due to the presence of the ratchet structures on the conducting plates, the orientation of the Large Scale Circulation Roll (LSCR) can be locked to a preferred direction even when the cell is perfectly leveled out. By introducing a small tilt to the system, we show that the LSCR orientation can be tuned and controlled. The two different orientations of LSCR give two quite different heat transport efficiencies, indicating that heat transport is sensitive to the LSCR direction over the asymmetric roughness structure. Through analysis of the dynamics of thermal plume emissions and the orientation of the LSCR over the asymmetric structure, we provide a physical explanation for these findings. This work is financially supported by the Natural Science Foundation of China under Grant No. 11672156, the Dutch Foundation for Fundamental Research on Matter (FOM), the Dutch Technology Foundation (STW) and a VIDI Grant.

  6. Electronic transport on the spatial structure of the protein: Three-dimensional lattice model

    International Nuclear Information System (INIS)

    Sarmento, R.G.; Frazão, N.F.; Macedo-Filho, A.

    2017-01-01

    Highlights: • The electronic transport on the structure of the three-dimensional lattice model of the protein is studied. • The signing of the current–voltage is directly affected by permutations of the weak bonds in the structure. • Semiconductor behave of the proteins suggest a potential application in the development of novel biosensors. - Abstract: We report a numerical analysis of the electronic transport in protein chain consisting of thirty-six standard amino acids. The protein chains studied have three-dimensional structure, which can present itself in three distinct conformations and the difference consist in the presence or absence of thirteen hydrogen-bondings. Our theoretical method uses an electronic tight-binding Hamiltonian model, appropriate to describe the protein segments modeled by the amino acid chain. We note that the presence and the permutations between weak bonds in the structure of proteins are directly related to the signing of the current–voltage. Furthermore, the electronic transport depends on the effect of temperature. In addition, we have found a semiconductor behave in the models investigated and it suggest a potential application in the development of novel biosensors for molecular diagnostics.

  7. Atomic resolution structure of the E. coli YajR transporter YAM domain

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Daohua [National Laboratory of Macromolecules, National Center of Protein Science-Beijing, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Beijing 100101 (China); School of Life Science and Technology, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Zhao, Yan [National Laboratory of Macromolecules, National Center of Protein Science-Beijing, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Beijing 100101 (China); School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230027 (China); Fan, Junping; Liu, Xuehui; Wu, Yan; Feng, Wei [National Laboratory of Macromolecules, National Center of Protein Science-Beijing, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Beijing 100101 (China); Zhang, Xuejun C., E-mail: zhangc@ibp.ac.cn [National Laboratory of Macromolecules, National Center of Protein Science-Beijing, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Beijing 100101 (China)

    2014-07-25

    Highlights: • We report the crystal structure of the YAM domain of YajR transporter at 1.07 Å. • The YAM dimerization is related to the halogen-dependent high thermal stability. • A belt of poly-pentagonal water molecules was observed in the dimer interface. - Abstract: YajR is an Escherichia coli transporter that belongs to the major facilitator superfamily. Unlike most MFS transporters, YajR contains a carboxyl terminal, cytosolic domain of 67 amino acid residues termed YAM domain. Although it is speculated that the function of this small soluble domain is to regulate the conformational change of the 12-helix transmembrane domain, its precise regulatory role remains unclear. Here, we report the crystal structure of the YAM domain at 1.07-Å resolution, along with its structure determined using nuclear magnetic resonance. Detailed analysis of the high resolution structure revealed a symmetrical dimer in which a belt of well-ordered poly-pentagonal water molecules is embedded. A mutagenesis experiment and a thermal stability assay were used to analyze the putative role of this dimerization in response to changes in halogen concentration.

  8. Controlling Heat Transport and Flow Structures in Thermal Turbulence Using Ratchet Surfaces

    Science.gov (United States)

    Jiang, Hechuan; Zhu, Xiaojue; Mathai, Varghese; Verzicco, Roberto; Lohse, Detlef; Sun, Chao

    2018-01-01

    In this combined experimental and numerical study on thermally driven turbulence in a rectangular cell, the global heat transport and the coherent flow structures are controlled with an asymmetric ratchetlike roughness on the top and bottom plates. We show that, by means of symmetry breaking due to the presence of the ratchet structures on the conducting plates, the orientation of the large scale circulation roll (LSCR) can be locked to a preferred direction even when the cell is perfectly leveled out. By introducing a small tilt to the system, we show that the LSCR orientation can be tuned and controlled. The two different orientations of LSCR give two quite different heat transport efficiencies, indicating that heat transport is sensitive to the LSCR direction over the asymmetric roughness structure. Through a quantitative analysis of the dynamics of thermal plume emissions and the orientation of the LSCR over the asymmetric structure, we provide a physical explanation for these findings. The current work has important implications for passive and active flow control in engineering, biofluid dynamics, and geophysical flows.

  9. Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate.

    Science.gov (United States)

    Maruyama, Yukie; Itoh, Takafumi; Kaneko, Ai; Nishitani, Yu; Mikami, Bunzo; Hashimoto, Wataru; Murata, Kousaku

    2015-09-01

    The acidic polysaccharide alginate represents a promising marine biomass for the microbial production of biofuels, although the molecular and structural characteristics of alginate transporters remain to be clarified. In Sphingomonas sp. A1, the ATP-binding cassette transporter AlgM1M2SS is responsible for the import of alginate across the cytoplasmic membrane. Here, we present the substrate-transport characteristics and quaternary structure of AlgM1M2SS. The addition of poly- or oligoalginate enhanced the ATPase activity of reconstituted AlgM1M2SS coupled with one of the periplasmic solute-binding proteins, AlgQ1 or AlgQ2. External fluorescence-labeled oligoalginates were specifically imported into AlgM1M2SS-containing proteoliposomes in the presence of AlgQ2, ATP, and Mg(2+). The crystal structure of AlgQ2-bound AlgM1M2SS adopts an inward-facing conformation. The interaction between AlgQ2 and AlgM1M2SS induces the formation of an alginate-binding tunnel-like structure accessible to the solvent. The translocation route inside the transmembrane domains contains charged residues suitable for the import of acidic saccharides. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Electronic transport on the spatial structure of the protein: Three-dimensional lattice model

    Energy Technology Data Exchange (ETDEWEB)

    Sarmento, R.G. [Departamento de Ciências Biológicas, Universidade Federal do Piauí, 64800-000 Floriano, PI (Brazil); Frazão, N.F. [Centro de Educação e Saúde, Universidade Federal de Campina Grande, 581750-000 Cuité, PB (Brazil); Macedo-Filho, A., E-mail: amfilho@gmail.com [Campus Prof. Antonio Geovanne Alves de Sousa, Universidade Estadual do Piauí, 64260-000 Piripiri, PI (Brazil)

    2017-01-30

    Highlights: • The electronic transport on the structure of the three-dimensional lattice model of the protein is studied. • The signing of the current–voltage is directly affected by permutations of the weak bonds in the structure. • Semiconductor behave of the proteins suggest a potential application in the development of novel biosensors. - Abstract: We report a numerical analysis of the electronic transport in protein chain consisting of thirty-six standard amino acids. The protein chains studied have three-dimensional structure, which can present itself in three distinct conformations and the difference consist in the presence or absence of thirteen hydrogen-bondings. Our theoretical method uses an electronic tight-binding Hamiltonian model, appropriate to describe the protein segments modeled by the amino acid chain. We note that the presence and the permutations between weak bonds in the structure of proteins are directly related to the signing of the current–voltage. Furthermore, the electronic transport depends on the effect of temperature. In addition, we have found a semiconductor behave in the models investigated and it suggest a potential application in the development of novel biosensors for molecular diagnostics.

  11. The Structure and Transport of Water and Hydrated Ions Within Hydrophobic, Nanoscale Channels

    International Nuclear Information System (INIS)

    Holt, J.K.; Herberg, J.L.; Wu, Y.; Schwegler, E.; Mehta, A.

    2009-01-01

    The purpose of this project includes an experimental and modeling investigation into water and hydrated ion structure and transport at nanomaterials interfaces. This is a topic relevant to understanding the function of many biological systems such as aquaporins that efficiently shuttle water and ion channels that permit selective transport of specific ions across cell membranes. Carbon nanotubes (CNT) are model nanoscale, hydrophobic channels that can be functionalized, making them artificial analogs for these biological channels. This project investigates the microscopic properties of water such as water density distributions and dynamics within CNTs using Nuclear Magnetic Resonance (NMR) and the structure of hydrated ions at CNT interfaces via X-ray Absorption Spectroscopy (XAS). Another component of this work is molecular simulation, which can predict experimental measurables such as the proton relaxation times, chemical shifts, and can compute the electronic structure of CNTs. Some of the fundamental questions this work is addressing are: (1) what is the length scale below which nanoscale effects such as molecular ordering become important, (2) is there a relationship between molecular ordering and transport?, and (3) how do ions interact with CNT interfaces? These are questions of interest to the scientific community, but they also impact the future generation of sensors, filters, and other devices that operate on the nanometer length scale. To enable some of the proposed applications of CNTs as ion filtration media and electrolytic supercapacitors, a detailed knowledge of water and ion structure at CNT interfaces is critical.

  12. Multiscale pore structure and its effect on gas transport in organic-rich shale

    Science.gov (United States)

    Wu, Tianhao; Li, Xiang; Zhao, Junliang; Zhang, Dongxiao

    2017-07-01

    A systematic investigation of multiscale pore structure in organic-rich shale by means of the combination of various imaging techniques is presented, including the state-of-the-art Helium-Ion-Microscope (HIM). The study achieves insight into the major features at each scale and suggests the affordable techniques for specific objectives from the aspects of resolution, dimension, and cost. The pores, which appear to be isolated, are connected by smaller pores resolved by higher-resolution imaging. This observation provides valuable information, from the microscopic perspective of pore structure, for understanding how gas accumulates and transports from where it is generated. A comprehensive workflow is proposed based on the characteristics acquired from the multiscale pore structure analysis to simulate the gas transport process. The simulations are completed with three levels: the microscopic mechanisms should be taken into consideration at level I; the spatial distribution features of organic matter, inorganic matter, and macropores constitute the major issue at level II; and the microfracture orientation and topological structure are dominant factors at level III. The results of apparent permeability from simulations agree well with the values acquired from experiments. By means of the workflow, the impact of various gas transport mechanisms at different scales can be investigated more individually and precisely than conventional experiments.

  13. Electric-field effects on electronic tunneling transport in magnetic barrier structures

    International Nuclear Information System (INIS)

    Guo Yong; Wang Hao; Gu Binglin; Kawazoe, Yoshiyuki

    2000-01-01

    Electronic transport properties in magnetic barrier structures under the influence of an electric field have been investigated. The results indicate that the characteristics of transmission resonance are determined not only by the structure and the incident wave vector but also strongly by the electric field. It is shown that the transmission coefficient at resonance in the low-energy range is suppressed by applying the electric field for electron tunneling through the magnetic barrier structure, arranged with identical magnetic barriers and wells. It is also shown that the transmission resonance is first enhanced up to optimal resonance, and then suppressed with further increased electric field for electron tunneling through the magnetic barrier structure, arranged with unidentical building blocks. Strong suppression of the current density is also found in the magnetic barrier structure, arranged with two different building blocks

  14. Mathematical structure of ocean container transport systems; Kaiyo container yuso system no suriteki kozo ni tsuite

    Energy Technology Data Exchange (ETDEWEB)

    Shinkai, A [Kyushu University, Fukuoka (Japan). Faculty of Engineering; Chikushi, Y [Nippon Telegraph and Telephone Corp., Tokyo (Japan)

    1997-10-01

    Mathematical structure of a vessel arrangement program was discussed in order to learn roles of container ships in ocean transport systems among China, NIES/ASEAN countries and Japan. Formulation is possible on a mathematical handling method for sailing route connection diagrams between ports, a transport network to indicate container movements, a service network to indicate sailing routes, and a network generalizing them. This paper describes an analysis made on the container transport system between Japan and China, taken as an example. Four ports were selected each from Japan and China, and the statistical database for fiscals 1996 and 1994 was utilized to set models for: (a) the liner network system with transshipment at the port of Shanghai and (b) the cruising route system going through the ports of Yokohama, Nagoya and Kobe. A hypothesis was set that a consortium (coordinated ship allocation) can be implemented ideally and completely. The transport network (a) is lower by 10% in total cost than the transport network (b), resulting in 1.6 times greater productivity. Actual service network is closer to the network (b), but the system can be utilized for discussing guidelines on vessel arrangement programs with which shipping companies pursue better management efficiency under a condition that the consortium can be formed. 10 refs., 6 figs., 2 tabs.

  15. Turbulent flow structures and aeolian sediment transport over a barchan sand dune

    Science.gov (United States)

    Wiggs, G. F. S.; Weaver, C. M.

    2012-03-01

    The turbulent structure of airflow over a barchan sand dune is determined using quadrant analysis of wind velocity data derived from sonic anemometers. Results indicate an increased frequency of ejection and sweep events in the toe region of the dune, characteristic of the turbulent bursting process. In contrast, at the crest there was a significant increase in the occurrence of outward interactions. Combined with high frequency saltation data our analyses show that turbulent structures characterised by a positive streamwise fluctuating velocity (+u‧ sweeps at the toe and outward interactions at the crest) have a dominant influence on sand transport on the dune, together accounting for up to 83% and 95% of transporting events at the toe and crest respectively.

  16. Overview of magnetic structure induced by the TEXTOR-DED and the related transport

    International Nuclear Information System (INIS)

    Abdullaev, S.S.; Finken, K.H.; Kobayashi, M.; Reiser, D.; Reiter, D.; Jakubowski, M.W.; Runov, A.M.

    2003-01-01

    The Dynamic Ergodic Divertor (DED), a new concept of the ergodic divertor, is presently installed for the TEXTOR tokamak. Beside the conventional ergodic divertor operation the DED also permits the operation with a rotating magnetic field which allows, in particular, to broaden the heat deposition pattern on the divertor plates. Since its first proposal of the DED in 1996 the structure of magnetic field, especially, the onset of ergodic zone of field lines and related transport in the DED operation has been extensively studied using different theoretical and numerical methods. New methods to study the magnetic field, in particular, the field line mapping have been developed. The presentation gives the overview of the studies on the structure of magnetic field in the DED, the formation of the ergodic and laminar zones of field lines at the plasma edge. It also includes studies on the modelling efforts of the transport of heat and particles in the ergodic and laminar zones. (author)

  17. Structural Biology Meets Drug Resistance: An Overview on Multidrug Resistance Transporters

    DEFF Research Database (Denmark)

    Shaheen, Aqsa; Iqbal, Mazhar; Mirza, Osman

    2017-01-01

    . Research on the underlying causes of multidrug resistance in cancerous cells and later on in infectious bacteria revealed the involvement of integral membrane transporters, capable of recognizing a broad range of structurally different molecules as substrates and exporting them from the cell using cellular...... superfamilies, viz., ATP-binding cassette superfamily, major facilitator superfamily and resistance nodulation division superfamily are presented. Further, the future role of structural biology in improving our understanding of drug-transporter interactions and in designing novel inhibitors against MDR pump...... century, mankind has become aware and confronted with the emergence of antibiotic-resistant pathogens. In parallel to the failure of antibiotic therapy against infectious pathogens, there had been continuous reports of cancerous cells not responding to chemotherapy with increase in the duration of therapy...

  18. CAVER 3.0: a tool for the analysis of transport pathways in dynamic protein structures.

    Science.gov (United States)

    Chovancova, Eva; Pavelka, Antonin; Benes, Petr; Strnad, Ondrej; Brezovsky, Jan; Kozlikova, Barbora; Gora, Artur; Sustr, Vilem; Klvana, Martin; Medek, Petr; Biedermannova, Lada; Sochor, Jiri; Damborsky, Jiri

    2012-01-01

    Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a large variety of proteins. Characteristics of individual transport pathways, including their geometry, physico-chemical properties and dynamics are instrumental for understanding of structure-function relationships of these proteins, for the design of new inhibitors and construction of improved biocatalysts. CAVER is a software tool widely used for the identification and characterization of transport pathways in static macromolecular structures. Herein we present a new version of CAVER enabling automatic analysis of tunnels and channels in large ensembles of protein conformations. CAVER 3.0 implements new algorithms for the calculation and clustering of pathways. A trajectory from a molecular dynamics simulation serves as the typical input, while detailed characteristics and summary statistics of the time evolution of individual pathways are provided in the outputs. To illustrate the capabilities of CAVER 3.0, the tool was applied for the analysis of molecular dynamics simulation of the microbial enzyme haloalkane dehalogenase DhaA. CAVER 3.0 safely identified and reliably estimated the importance of all previously published DhaA tunnels, including the tunnels closed in DhaA crystal structures. Obtained results clearly demonstrate that analysis of molecular dynamics simulation is essential for the estimation of pathway characteristics and elucidation of the structural basis of the tunnel gating. CAVER 3.0 paves the way for the study of important biochemical phenomena in the area of molecular transport, molecular recognition and enzymatic catalysis. The software is freely available as a multiplatform command-line application at http://www.caver.cz.

  19. CAVER 3.0: a tool for the analysis of transport pathways in dynamic protein structures.

    Directory of Open Access Journals (Sweden)

    Eva Chovancova

    Full Text Available Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a large variety of proteins. Characteristics of individual transport pathways, including their geometry, physico-chemical properties and dynamics are instrumental for understanding of structure-function relationships of these proteins, for the design of new inhibitors and construction of improved biocatalysts. CAVER is a software tool widely used for the identification and characterization of transport pathways in static macromolecular structures. Herein we present a new version of CAVER enabling automatic analysis of tunnels and channels in large ensembles of protein conformations. CAVER 3.0 implements new algorithms for the calculation and clustering of pathways. A trajectory from a molecular dynamics simulation serves as the typical input, while detailed characteristics and summary statistics of the time evolution of individual pathways are provided in the outputs. To illustrate the capabilities of CAVER 3.0, the tool was applied for the analysis of molecular dynamics simulation of the microbial enzyme haloalkane dehalogenase DhaA. CAVER 3.0 safely identified and reliably estimated the importance of all previously published DhaA tunnels, including the tunnels closed in DhaA crystal structures. Obtained results clearly demonstrate that analysis of molecular dynamics simulation is essential for the estimation of pathway characteristics and elucidation of the structural basis of the tunnel gating. CAVER 3.0 paves the way for the study of important biochemical phenomena in the area of molecular transport, molecular recognition and enzymatic catalysis. The software is freely available as a multiplatform command-line application at http://www.caver.cz.

  20. Study of structural and electronic transport properties of Ce-doped ...

    Indian Academy of Sciences (India)

    Abstract. The structural and electronic transport properties of La1−x Cex MnO3 (x =0.0–1.0) have been studied. All the samples exhibit orthorhombic crystal symmetry and the unit cell volume de- creases with Ce doping. They also make a metal–insulator transition (MIT) and transition temper- ature increases with increase in ...

  1. Signatures of Quantum Transport Through Two-Dimensional Structures With Correlated and Anti-Correlated Interfaces

    OpenAIRE

    Low, Tony; Ansari, Davood

    2008-01-01

    Electronic transport through a 2D deca-nanometer length channel with correlated and anti-correlated surfaces morphologies is studied using the Keldysh non-equilibrium Green function technique. Due to the pseudo-periodicity of these structures, the energy-resolved transmission possesses pseudo-bands and pseudo-gaps. Channels with correlated surfaces exhibit wider pseudo-bands than their anti-correlated counterparts. By surveying channels with various combinations of material parameters, we fou...

  2. CAVER 3.0: A Tool for the Analysis of Transport Pathways in Dynamic Protein Structures

    Science.gov (United States)

    Strnad, Ondrej; Brezovsky, Jan; Kozlikova, Barbora; Gora, Artur; Sustr, Vilem; Klvana, Martin; Medek, Petr; Biedermannova, Lada; Sochor, Jiri; Damborsky, Jiri

    2012-01-01

    Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a large variety of proteins. Characteristics of individual transport pathways, including their geometry, physico-chemical properties and dynamics are instrumental for understanding of structure-function relationships of these proteins, for the design of new inhibitors and construction of improved biocatalysts. CAVER is a software tool widely used for the identification and characterization of transport pathways in static macromolecular structures. Herein we present a new version of CAVER enabling automatic analysis of tunnels and channels in large ensembles of protein conformations. CAVER 3.0 implements new algorithms for the calculation and clustering of pathways. A trajectory from a molecular dynamics simulation serves as the typical input, while detailed characteristics and summary statistics of the time evolution of individual pathways are provided in the outputs. To illustrate the capabilities of CAVER 3.0, the tool was applied for the analysis of molecular dynamics simulation of the microbial enzyme haloalkane dehalogenase DhaA. CAVER 3.0 safely identified and reliably estimated the importance of all previously published DhaA tunnels, including the tunnels closed in DhaA crystal structures. Obtained results clearly demonstrate that analysis of molecular dynamics simulation is essential for the estimation of pathway characteristics and elucidation of the structural basis of the tunnel gating. CAVER 3.0 paves the way for the study of important biochemical phenomena in the area of molecular transport, molecular recognition and enzymatic catalysis. The software is freely available as a multiplatform command-line application at http://www.caver.cz. PMID:23093919

  3. Research Update: Structural and transport properties of (Ca,La)FeAs{sub 2} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Caglieris, F.; Pallecchi, I.; Lamura, G.; Putti, M. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Sala, A. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Fujioka, M. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Hokkaido University, Sapporo, Hokkaido 001-0020 (Japan); Hummel, F.; Johrendt, D. [Ludwig-Maximilians-Universität München, Department Chemie, Butenandtstr. 5-13, 81377 München (Germany); Takano, Y. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Ishida, S.; Iyo, A.; Eisaki, H. [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Ogino, H.; Yakita, H. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Shimoyama, J. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physics and Mathematics, Aoyama Gakuin University, 5-10-1 Fuchinobe, Chuo-ku, Sagamihara 252-5258 (Japan)

    2016-02-01

    Structural and transport properties in the normal and superconducting states are investigated in a Ca{sub 0.8}La{sub 0.2}FeAs{sub 2} single crystal with T{sub c} = 27 K, belonging to the newly discovered 112 family of iron based superconductors. The transport critical current density J{sub c} for both field directions measured in a focused ion beam patterned microbridge reveals a weakly field dependent and low anisotropic behaviour with a low temperature value as high as J{sub c}(B = 0) ∼ 10{sup 5} A/cm{sup 2}. This demonstrates not only bulk superconductivity but also the potential of 112 superconductors towards applications. Interestingly, this superconducting compound undergoes a structural transition below 100 K which is evidenced by temperature-dependent X-ray diffraction measurements. Data analysis of Hall resistance and magnetoresistivity indicate that magnetotransport properties are largely dominated by an electron band, with a change of regime observed in correspondence of the onset of a structural transition. In the low temperature regime, the contribution of a hole band to transport is suggested, possibly playing a role in determining the superconducting state.

  4. Scaling of phloem structure and optimality of photoassimilate transport in conifer needles.

    Science.gov (United States)

    Ronellenfitsch, Henrik; Liesche, Johannes; Jensen, Kaare H; Holbrook, N Michele; Schulz, Alexander; Katifori, Eleni

    2015-02-22

    The phloem vascular system facilitates transport of energy-rich sugar and signalling molecules in plants, thus permitting long-range communication within the organism and growth of non-photosynthesizing organs such as roots and fruits. The flow is driven by osmotic pressure, generated by differences in sugar concentration between distal parts of the plant. The phloem is an intricate distribution system, and many questions about its regulation and structural diversity remain unanswered. Here, we investigate the phloem structure in the simplest possible geometry: a linear leaf, found, for example, in the needles of conifer trees. We measure the phloem structure in four tree species representing a diverse set of habitats and needle sizes, from 1 (Picea omorika) to 35 cm (Pinus palustris). We show that the phloem shares common traits across these four species and find that the size of its conductive elements obeys a power law. We present a minimal model that accounts for these common traits and takes into account the transport strategy and natural constraints. This minimal model predicts a power law phloem distribution consistent with transport energy minimization, suggesting that energetics are more important than translocation speed at the leaf level. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

  5. The local structure, magnetic, and transport properties of Cr-doped In2O3 films

    International Nuclear Information System (INIS)

    Wang Shiqi; An Yukai; Feng Deqiang; Liu Jiwen; Wu Zhonghua

    2013-01-01

    Cr-doped In 2 O 3 films were deposited on Si (100) substrates by RF-magnetron sputtering technique. The local structure, magnetic, and transport properties of films are investigated by X-ray diffraction, X-ray photoelectron spectroscopy, X-ray absorption fine structure, Hall effect, R-T, and magnetic measurements. Structural analysis clearly indicates that Cr ions substitute for In 3+ sites of the In 2 O 3 lattice in the valence of +2 states and Cr-related secondary phases or clusters as the source of ferromagnetism is safely ruled out. The films with low Cr concentration show a crossover from semiconducting to metallic transport behavior, whereas only semiconducting behavior is observed in high Cr concentration films. The transport property of all films is governed by Mott variable range hopping behavior, suggesting that the carriers are strongly localized. Magnetic characterizations show that the saturated magnetization of films increases first, and then decreases with Cr doping, while carrier concentration n c decreases monotonically, implying that the ferromagnetism is not directly induced by the mediated carriers. It can be concluded the ferromagnetism of films is intrinsic and originates from electrons bound in defect states associated with oxygen vacancies.

  6. Structural, magnetic, and electronic transport properties of pyrochlore iridate Pr2Ir2O7

    Science.gov (United States)

    Kumar, Harish; Chaurasia, Rachna; Kumari, Pratibha; Paramanik, A. K.

    2018-04-01

    We have studied the structural, magnetic, and electronic transport properties of pyrochlore iridate Pr2Ir2O7. Structural investigation has been done using x-ray powder diffraction and Rietveld analysis. Pr2Ir2O7 crystallize in cubic crystallographic phase with Fd-3m space group. Temperature dependent magnetization data does not show magnetic bifurcation down to 2 K. Electrical resistivity data of Pr2Ir2O7 exhibits metallic behavior throughout temperature range. Below 50 K, a small rise in resistivity data of Pr2Ir2O7 is observed down to 12 K.

  7. Plasma turbulence. Structure formation, selection rule, dynamic response and dynamics transport

    International Nuclear Information System (INIS)

    Ito, Sanae I.

    2010-01-01

    The five-year project of Grant-in-Aid for Specially Promoted Research entitled general research on the structure formation and selection rule in plasma turbulence had brought many outcomes. Based on these outcomes, the Grant-in-Aid for Scientific Research (S) program entitled general research on dynamic response and dynamic transport in plasma turbulence has started. In the present paper, the state-of-the-art of the research activities on the structure formation, selection rule and dynamics in plasma turbulence are reviewed with reference to outcomes of these projects. (author)

  8. Electron transport in nanometer GaAs structure under radiation exposure

    CERN Document Server

    Demarina, N V

    2002-01-01

    One investigates into effect of neutron and proton irradiation on electron transport in nanometer GaAs structures. Mathematical model takes account of radiation defects via introduction of additional mechanisms od scattering of carriers at point defects and disordered regions. To investigate experimentally into volt-ampere and volt-farad characteristics one used a structure based on a field-effect transistor with the Schottky gate and a built-in channel. Calculation results of electron mobility, drift rate of electrons, time of energy relaxation and electron pulse are compared with the experimental data

  9. An Expanding Role For Purine Uptake Permease (PUP -like Transporters In Plant Secondary Metabolism.

    Directory of Open Access Journals (Sweden)

    John G. Jelesko

    2012-05-01

    Full Text Available For the past decade, our understanding of the plant purine uptake permease (PUP transporter family of was primarily oriented on purine nucleobase substrates and their tissue-specific expression patterns in Arabidopsis. However, a tobacco PUP-like homolog demonstrating nicotine uptake permease (NUP activity was recently shown to affect both nicotine metabolism and root cell growth. These new findings expand the physiological role for PUP-like transporters to include plant secondary metabolism. Molecular evolution analyses of PUP-like transporters indicate they are distinct group within an ancient super family of drug and metabolite transporters (DMTs. The PUP-like family originated during terrestrial plant evolution sometime between the bryophytes and the lycophytes. A phylogenetic analysis indicates that the PUP-like transporters were likely were derived from a pre-existing nucleotide sugar transporter family within the DMT super family. Within the lycophyte Selaginella, there are three paralogous groups of PUP-like transporters. One of the three PUP-like paralogous groups showed an extensive pattern of gene duplication and diversification within the angiosperm lineage, whereas the other two more ancestral PUP-like paralogous groups did not. Biochemical characterization of four closely-related PUP-like paralogs together with model-based phylogenetic analyses indicate both subfunctionalization and neofunctionalization during the molecular evolution of angiosperm PUP-like transporters. These findings suggest that members of the PUP-like family of DMT transporters are likely involved in diverse primary and secondary plant metabolic pathways.

  10. Ion Transport and Structure in Polymer Electrolytes with Applications in Lithium Batteries

    Science.gov (United States)

    Chintapalli, Mahati

    When mixed with lithium salts, polymers that contain more than one chemical group, such as block copolymers and endgroup-functionalized polymers, are promising electrolyte materials for next-generation lithium batteries. One chemical group can provide good ion solvation and transport properties, while the other chemical group can provide secondary properties that improve the performance characteristics of the battery. Secondary properties of interest include non-flammability for safer lithium ion batteries and high mechanical modulus for dendrite resistance in high energy density lithium metal batteries. Block copolymers and other materials with multiple chemical groups tend to exhibit nanoscale heterogeneity and can undergo microphase separation, which impacts the ion transport properties. In block copolymers that microphase separate, ordered self-assembled structures occur on longer length scales. Understanding the interplay between structure at different length scales, salt concentration, and ion transport is important for improving the performance of multifunctional polymer electrolytes. In this dissertation, two electrolyte materials are characterized: mixtures of endgroup-functionalized, short chain perfluoropolyethers (PFPEs) and lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) salt, and mixtures of polystyrene-block-poly(ethylene oxide) (PS- b-PEO; SEO) and LiTFSI. The PFPE/LiTFSI electrolytes are liquids in which the PFPE backbone provides non-flammability, and the endgroups resemble small molecules that solvate ions. In these electrolytes, the ion transport properties and nanoscale heterogeneity (length scale 1 nm) are characterized as a function of endgroup using electrochemical techniques, nuclear magnetic resonance spectroscopy, and wide angle X-ray scattering. Endgroups, especially those containing PEO segments, have a large impact on ionic conductivity, in part because the salt distribution is not homogenous; we find that salt partitions

  11. Crystal structure of a bacterial homologue of glucose transporters GLUT1-4.

    Science.gov (United States)

    Sun, Linfeng; Zeng, Xin; Yan, Chuangye; Sun, Xiuyun; Gong, Xinqi; Rao, Yu; Yan, Nieng

    2012-10-18

    Glucose transporters are essential for metabolism of glucose in cells of diverse organisms from microbes to humans, exemplified by the disease-related human proteins GLUT1, 2, 3 and 4. Despite rigorous efforts, the structural information for GLUT1-4 or their homologues remains largely unknown. Here we report three related crystal structures of XylE, an Escherichia coli homologue of GLUT1-4, in complex with d-xylose, d-glucose and 6-bromo-6-deoxy-D-glucose, at resolutions of 2.8, 2.9 and 2.6 Å, respectively. The structure consists of a typical major facilitator superfamily fold of 12 transmembrane segments and a unique intracellular four-helix domain. XylE was captured in an outward-facing, partly occluded conformation. Most of the important amino acids responsible for recognition of D-xylose or d-glucose are invariant in GLUT1-4, suggesting functional and mechanistic conservations. Structure-based modelling of GLUT1-4 allows mapping and interpretation of disease-related mutations. The structural and biochemical information reported here constitutes an important framework for mechanistic understanding of glucose transporters and sugar porters in general.

  12. Ionic structures and transport properties of hot dense W and U plasmas

    Science.gov (United States)

    Hou, Yong; Yuan, Jianmin

    2016-10-01

    We have combined the average-atom model with the hyper-netted chain approximation (AAHNC) to describe the electronic and ionic structure of uranium and tungsten in the hot dense matter regime. When the electronic structure is described within the average-atom model, the effects of others ions on the electronic structure are considered by the correlation functions. And the ionic structure is calculated though using the hyper-netted chain (HNC) approximation. The ion-ion pair potential is calculated using the modified Gordon-Kim model based on the electronic density distribution in the temperature-depended density functional theory. And electronic and ionic structures are determined self-consistently. On the basis of the ion-ion pair potential, we perform the classical (CMD) and Langevin (LMD) molecular dynamics to simulate the ionic transport properties, such as ionic self-diffusion and shear viscosity coefficients, through the ionic velocity correlation functions. Due that the free electrons become more and more with increasing the plasma temperature, the influence of the electron-ion collisions on the transport properties become more and more important.

  13. Quantum transport in graphene normal-metal superconductor- normal-metal structures

    Directory of Open Access Journals (Sweden)

    H. Mohammadpour

    2008-06-01

    Full Text Available  We study the transport of electrons in a graphene NSN structure in which two normal regions are connected by a superconducting strip of thickness d. Within Dirac-Bogoliubov-de Gennes equations we describe the transmission through the contact in terms of different scattering processes consisting of quasiparticle cotunneling, local and crossed Andreev reflections. Compared to a fully normal structure we show that the angular dependence of the transmission probability is significantly modified by the presence of superconducting correlations. This modifation can be explained in terms of the interplay between Andreev reflection and Klein tunneling of chiral quasiparticles. We further analyze the energy dependence of the resulting differential conductance of the structure. The subgap differential conductance shows features of Andreev reflection and cotunelling processes, which tends to the values of an NS structure for large ds. Above the gap, the differential conductance shows an oscillatory behavior with energy even at very large ds.

  14. Structural determinants of NH3 and NH4+ transport by mouse Rhbg, a renal Rh glycoprotein.

    Science.gov (United States)

    Abdulnour-Nakhoul, Solange; Le, Trang; Rabon, Edd; Hamm, L Lee; Nakhoul, Nazih L

    2016-12-01

    Renal Rhbg is localized to the basolateral membrane of intercalated cells and is involved in NH 3 /NH 4 + transport. The structure of Rhbg is not yet resolved; however, a high-resolution crystal structure of AmtB, a bacterial homolog of Rh, has been determined. We aligned the sequence of Rhbg to that of AmtB and identified important sites of Rhbg that may affect transport. Our analysis positioned three conserved amino acids, histidine 183 (H183), histidine 342 (H342), and tryptophan 230 (W230), within the hydrophobic pore where they presumably serve to control NH 3 transport. A fourth residue, phenylalanine 128 (F128) was positioned at the upper vestibule, presumably contributing to recruitment of NH 4 + We generated three mutations each of H183, H342, W230, and F128 and expressed them in frog oocytes. Immunolabeling showed that W230 and F128 mutants were localized to the cell membrane, whereas H183 and H342 staining was diffuse and mostly intracellular. To determine function, we compared measurements of NH 3 /NH 4 + and methyl amine (MA)/methyl ammonium (MA + )-induced currents, intracellular pH, and surface pH (pHs) among oocytes expressing the mutants, Rhbg, or injected with H 2 O. In H183 and W230 mutants, NH 4 + -induced current and intracellular acidification were inhibited compared with that of Rhbg, and MA-induced intracellular alkalinization was completely absent. Expression of H183A or W230A mutants inhibited NH 3 /NH 4 + - and MA/MA + -induced decrease in pHs to the level observed in H 2 O-injected oocytes. Mutations of F128 did not significantly affect transport of NH 3 or NH 4 + These data demonstrated that mutating H183 or W230 caused loss of function but not F128. H183 and H342 may affect membrane expression of the transporter.

  15. Electron transport in polycyclic aromatic hydrocarbons/boron nitride hybrid structures: density functional theory combined with the nonequilibrium Green's function.

    Science.gov (United States)

    Panahi, S F K S; Namiranian, Afshin; Soleimani, Maryam; Jamaati, Maryam

    2018-02-07

    We investigate the electronic transport properties of two types of junction based on single polyaromatic hydrocarbons (PAHs) and PAHs embedded in boron nitride (h-BN) nanoribbons, using nonequilibrium Green's functions (NEGF) and density functional theory (DFT). In the PAH junctions, a Fano resonance line shape at the Fermi energy in the transport feature can be clearly seen. In hybrid junctions, structural asymmetries enable interactions between the electronic states, leading to observation of interface-based transport. Our findings reveal that the interface of PAH/h-BN strongly affects the transport properties of the structures.

  16. Structural disorder and transport in ternary oxides with the pyrochlore structure. Final report; FINAL

    International Nuclear Information System (INIS)

    Tuller, Harry L.

    2001-01-01

    This research program has focused on the structure-electrical property relations in families of pyrochlore compounds which exhibit, on the one hand, controlled levels of structural disorder and on the other, controlled levels of ionic and electronic conductivities. Models have been developed to evaluate the often complex defect chemistry of these systems. Much progress has been made in extracting key thermodynamic and kinetic data. From a technological standpoint, novel solid electrolytes and compatible mixed conducting electrodes have been identified and the concept of the single phase monolithic fuel cell design has been demonstrated and patented. Related work on lanthanum gallate-based perovskites has shown even more promising results for use of such materials in the monolithic fuel cell structures. Recent work on the Bi(sub 3)Zn(sub 2)Sb(sub 3)O(sub 14) Pyrochlore, a phase found at grain boundaries in varistors, was also completed. This material was found to be a mixed ionic-electronic conductor with interesting implications for grain boundary equilibration kinetics in SnO-base varistor materials. Three of the most recent projects are summarized in this paper. The results of work on the perovskites are reported in recent publications

  17. Fibrin structural and diffusional analysis suggests that fibers are permeable to solute transport.

    Science.gov (United States)

    Leonidakis, Kimon Alexandros; Bhattacharya, Pinaki; Patterson, Jennifer; Vos, Bart E; Koenderink, Gijsje H; Vermant, Jan; Lambrechts, Dennis; Roeffaers, Maarten; Van Oosterwyck, Hans

    2017-01-01

    Fibrin hydrogels are promising carrier materials in tissue engineering. They are biocompatible and easy to prepare, they can bind growth factors and they can be prepared from a patient's own blood. While fibrin structure and mechanics have been extensively studied, not much is known about the relation between structure and diffusivity of solutes within the network. This is particularly relevant for solutes with a size similar to that of growth factors. A novel methodological approach has been used in this study to retrieve quantitative structural characteristics of fibrin hydrogels, by combining two complementary techniques, namely confocal fluorescence microscopy with a fiber extraction algorithm and turbidity measurements. Bulk rheological measurements were conducted to determine the impact of fibrin hydrogel structure on mechanical properties. From these measurements it can be concluded that variations in the fibrin hydrogel structure have a large impact on the rheological response of the hydrogels (up to two orders of magnitude difference in storage modulus) but only a moderate influence on the diffusivity of dextran solutes (up to 25% difference). By analyzing the diffusivity measurements by means of the Ogston diffusion model we further provide evidence that individual fibrin fibers can be semi-permeable to solute transport, depending on the average distance between individual protofibrils. This can be important for reducing mass transport limitations, for modulating fibrinolysis and for growth factor binding, which are all relevant for tissue engineering. Fibrin is a natural biopolymer that has drawn much interest as a biomimetic carrier in tissue engineering applications. We hereby use a novel combined approach for the structural characterization of fibrin networks based on optical microscopy and light scattering methods that can also be applied to other fibrillar hydrogels, like collagen. Furthermore, our findings on the relation between solute transport

  18. A review of model applications for structured soils: b) Pesticide transport.

    Science.gov (United States)

    Köhne, John Maximilian; Köhne, Sigrid; Simůnek, Jirka

    2009-02-16

    The past decade has seen considerable progress in the development of models simulating pesticide transport in structured soils subject to preferential flow (PF). Most PF pesticide transport models are based on the two-region concept and usually assume one (vertical) dimensional flow and transport. Stochastic parameter sets are sometimes used to account for the effects of spatial variability at the field scale. In the past decade, PF pesticide models were also coupled with Geographical Information Systems (GIS) and groundwater flow models for application at the catchment and larger regional scales. A review of PF pesticide model applications reveals that the principal difficulty of their application is still the appropriate parameterization of PF and pesticide processes. Experimental solution strategies involve improving measurement techniques and experimental designs. Model strategies aim at enhancing process descriptions, studying parameter sensitivity, uncertainty, inverse parameter identification, model calibration, and effects of spatial variability, as well as generating model emulators and databases. Model comparison studies demonstrated that, after calibration, PF pesticide models clearly outperform chromatographic models for structured soils. Considering nonlinear and kinetic sorption reactions further enhanced the pesticide transport description. However, inverse techniques combined with typically available experimental data are often limited in their ability to simultaneously identify parameters for describing PF, sorption, degradation and other processes. On the other hand, the predictive capacity of uncalibrated PF pesticide models currently allows at best an approximate (order-of-magnitude) estimation of concentrations. Moreover, models should target the entire soil-plant-atmosphere system, including often neglected above-ground processes such as pesticide volatilization, interception, sorption to plant residues, root uptake, and losses by runoff. The

  19. Structural variations in wheat HKT1;5 underpin differences in Na+ transport capacity

    KAUST Repository

    Xu, Bo

    2017-11-27

    An important trait associated with the salt tolerance of wheat is the exclusion of sodium ions (Na+) from the shoot. We have previously shown that the sodium transporters TmHKT1;5-A and TaHKT1;5-D, from Triticum monoccocum (Tm) and Triticum aestivum (Ta), are encoded by genes underlying the major shoot Na+-exclusion loci Nax1 and Kna1, respectively. Here, using heterologous expression, we show that the affinity (Km) for the Na+ transport of TmHKT1;5-A, at 2.66 mM, is higher than that of TaHKT1;5-D at 7.50 mM. Through 3D structural modelling, we identify residues D471/a gap and D474/G473 that contribute to this property. We identify four additional mutations in amino acid residues that inhibit the transport activity of TmHKT1;5-A, which are predicted to be the result of an occlusion of the pore. We propose that the underlying transport properties of TmHKT1;5-A and TaHKT1;5-D contribute to their unique ability to improve Na+ exclusion in wheat that leads to an improved salinity tolerance in the field.

  20. Structural variations in wheat HKT1;5 underpin differences in Na+ transport capacity

    KAUST Repository

    Xu, Bo; Waters, Shane; Byrt, Caitlin S.; Plett, Darren; Tyerman, Stephen D.; Tester, Mark A.; Munns, Rana; Hrmova, Maria; Gilliham, Mathew

    2017-01-01

    An important trait associated with the salt tolerance of wheat is the exclusion of sodium ions (Na+) from the shoot. We have previously shown that the sodium transporters TmHKT1;5-A and TaHKT1;5-D, from Triticum monoccocum (Tm) and Triticum aestivum (Ta), are encoded by genes underlying the major shoot Na+-exclusion loci Nax1 and Kna1, respectively. Here, using heterologous expression, we show that the affinity (Km) for the Na+ transport of TmHKT1;5-A, at 2.66 mM, is higher than that of TaHKT1;5-D at 7.50 mM. Through 3D structural modelling, we identify residues D471/a gap and D474/G473 that contribute to this property. We identify four additional mutations in amino acid residues that inhibit the transport activity of TmHKT1;5-A, which are predicted to be the result of an occlusion of the pore. We propose that the underlying transport properties of TmHKT1;5-A and TaHKT1;5-D contribute to their unique ability to improve Na+ exclusion in wheat that leads to an improved salinity tolerance in the field.

  1. Transforming growth factor β signaling upregulates the expression of human GDP-fucose transporter by activating transcription factor Sp1.

    Science.gov (United States)

    Xu, Yu-Xin; Ma, Anna; Liu, Li

    2013-01-01

    GDP-fucose transporter plays a crucial role in fucosylation of glycoproteins by providing activated fucose donor, GDP-fucose, for fucosyltransferases in the lumen of the Golgi apparatus. Fucose-containing glycans are involved in many biological processes, which are essential for growth and development. Mutations in the GDP-fucose transporter gene cause leukocyte adhesion deficiency syndrome II, a disease characterized by slow growth, mental retardation and immunodeficiency. However, no information is available regarding its transcriptional regulation. Here, by using human cells, we show that TGF-β1 specifically induces the GDP-fucose transporter expression, but not other transporters tested such as CMP-sialic acid transporter, suggesting a diversity of regulatory pathways for the expression of these transporters. The regulatory elements that are responsive to the TGF-β1 stimulation are present in the region between bp -330 and -268 in the GDP-fucose transporter promoter. We found that this region contains two identical octamer GC-rich motifs (GGGGCGTG) that were demonstrated to be essential for the transporter expression. We also show that the transcription factor Sp1 specifically binds to the GC-rich motifs in vitro and Sp1 coupled with phospho-Smad2 is associated with the promoter region covering the Sp1-binding motifs in vivo using chromatin immunoprecipitation (ChIP) assays. In addition, we further confirmed that Sp1 is essential for the GDP-fucose transporter expression stimulated by TGF-β1 using a luciferase reporter system. These results highlight the role of TGF-β signaling in regulation of the GDP-fucose transporter expression via activating Sp1. This is the first transcriptional study for any nucleotide sugar transporters that have been identified so far. Notably, TGF-β1 receptor itself is known to be modified by fucosylation. Given the essential role of GDP-fucose transporter in fucosylation, the finding that TGF-β1 stimulates the expression of

  2. Urban structure and transport behaviour. Results from the survey of transport habits; Bystruktur og transportadfaerd. Hvad siger transportvaneundersoegelsen?

    Energy Technology Data Exchange (ETDEWEB)

    Christensen, L.

    2001-12-01

    The purpose of this report is to analyse the effects on private transport and environmental impact from urban size and structure, and the localisation. In this analysis, the CO{sub 2}-emission is used as the indicator of the environmental impact of the transport i.e. as a result of the energy consumption. The report is organised in 3 main chapters concerning localisation of residential areas, workplace, and centre functions. One of the important results from the analyses is the environmental benefit of avoiding residential development in smaller towns and villages. It is especially important to avoid urban sprawl around the big cities. Concentration in the big cities or in the neighbouring cities is environmentally much more promising. On the other hand it might be expedient to promote a slow development with workplaces in smaller towns to get a good balance between inhabitants and workplaces but it is important to give priority to non-specialised workplaces. Residential or business development in whichever size of the cities above 10,000 inhabitants makes no difference. On the other hand an expansion of centre activities has substantial effect on the CO{sub 2}-emission especially in cities with more than 22,000 inhabitants. Variation in localization inside the cities influences the CO{sub 2}-emission much more than the variability between cities. Residential areas as well as workplace intensive business ought to be promoted at central places near the stations. Upon deciding whether to give priority to residential areas or business at an actual area, more aspects need to be considered. One problem is that a residence and a workplace generate different person kilometres and the areas they occupy vary. It seems to be best to give priority to residential areas in the central areas and to business development around the stations. But this depends on the actual conditions and more detailed analyses might also be revealed. A planning policy promoting a development with

  3. Introduction of a new structural material for spent nuclear fuel transportation casks

    International Nuclear Information System (INIS)

    Severson, W.J.; Mello, R.M.; Ciez, A.P.

    1991-01-01

    The From-Reactor Transportation Cask Initiative of the DOE Office of Civilian Radioactive Waste Management (OCRWM) has, since 1988, supported the development of cask systems for the shipment of spent nuclear fuel by both legal weight truck (LWT) and rail or barge. The design basis fuel to be transported would be 10 years out-of-reactor with maximum burnups of 35 and 30 GWD/MTU for PWR and BWR assemblies, respectively. Westinghouse's work on the program led to the development of a common use LWT cask design capable of transporting either three PWR or seven BWR assemblies. This payload in a common use cask is achieved by the use of depleted uranium for the gamma shielding material and Grade 9 titanium as the principal structural material. The use of Grade 9 titanium for cask structures has no certification precedent. This paper describes the work performed to characterize the material and the status of steps taken to gain its acceptance by the NRC, which includes ASME approval of its use in the construction of Section 3 Class 1 components. 9 refs., 7 figs., 9 tabs

  4. Electronic structure and transport on the surface of topological insulator attached to an electromagnetic superlattice

    International Nuclear Information System (INIS)

    Wang Haiyan; Chen Xiongwen; Zhou Xiaoying; Zhang Lebo; Zhou Guanghui

    2012-01-01

    We study the electronic structure and transport for Dirac electron on the surface of a three-dimensional (3D) topological insulator attached to an electromagnetic superlattice. It is found that, by means of the transfer-matrix method, the number of electronic tunneling channels for magnetic barriers in antiparallel alignment is larger than that in parallel alignment, which stems to the energy band structures. Interestingly, a remarkable semiconducting transport behavior appears in this system with a strong magnetic barrier due to low energy band nearly paralleling to the Fermi level. Consequently, there is only small incident angle transport in the higher energy region when the system is modulated mainly by the higher electric barriers. We further find that the spatial distribution of the spin polarization oscillates periodically in the incoming region, but it is almost in-plane with a fixed direction in the transmitting region. The results may provide a further understanding of the nature of 3D TI surface states, and may be useful in the design of topological insulator-based electronic devices such as collimating electron beam.

  5. Antidepressant Specificity of Serotonin Transporter Suggested by Three LeuT-SSRI Structures

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Z.; Zhen, J; Karpowich, N; Law, C; Reith, M; Wang, D

    2009-01-01

    Sertraline and fluoxetine are selective serotonin re-uptake inhibitors (SSRIs) that are widely prescribed to treat depression. They exert their effects by inhibiting the presynaptic plasma membrane serotonin transporter (SERT). All SSRIs possess halogen atoms at specific positions, which are key determinants for the drugs' specificity for SERT. For the SERT protein, however, the structural basis of its specificity for SSRIs is poorly understood. Here we report the crystal structures of LeuT, a bacterial SERT homolog, in complex with sertraline, R-fluoxetine or S-fluoxetine. The SSRI halogens all bind to exactly the same pocket within LeuT. Mutation at this halogen-binding pocket (HBP) in SERT markedly reduces the transporter's affinity for SSRIs but not for tricyclic antidepressants. Conversely, when the only nonconserved HBP residue in both norepinephrine and dopamine transporters is mutated into that found in SERT, their affinities for all the three SSRIs increase uniformly. Thus, the specificity of SERT for SSRIs is dependent largely on interaction of the drug halogens with the protein's HBP.

  6. Structural, Bioinformatic, and In Vivo Analyses of Two Treponema pallidum Lipoproteins Reveal a Unique TRAP Transporter

    Energy Technology Data Exchange (ETDEWEB)

    Deka, Ranjit K.; Brautigam, Chad A.; Goldberg, Martin; Schuck, Peter; Tomchick, Diana R.; Norgard, Michael V. (NIH); (UTSMC)

    2012-05-25

    Treponema pallidum, the bacterial agent of syphilis, is predicted to encode one tripartite ATP-independent periplasmic transporter (TRAP-T). TRAP-Ts typically employ a periplasmic substrate-binding protein (SBP) to deliver the cognate ligand to the transmembrane symporter. Herein, we demonstrate that the genes encoding the putative TRAP-T components from T. pallidum, tp0957 (the SBP), and tp0958 (the symporter), are in an operon with an uncharacterized third gene, tp0956. We determined the crystal structure of recombinant Tp0956; the protein is trimeric and perforated by a pore. Part of Tp0956 forms an assembly similar to those of 'tetratricopeptide repeat' (TPR) motifs. The crystal structure of recombinant Tp0957 was also determined; like the SBPs of other TRAP-Ts, there are two lobes separated by a cleft. In these other SBPs, the cleft binds a negatively charged ligand. However, the cleft of Tp0957 has a strikingly hydrophobic chemical composition, indicating that its ligand may be substantially different and likely hydrophobic. Analytical ultracentrifugation of the recombinant versions of Tp0956 and Tp0957 established that these proteins associate avidly. This unprecedented interaction was confirmed for the native molecules using in vivo cross-linking experiments. Finally, bioinformatic analyses suggested that this transporter exemplifies a new subfamily of TPATs (TPR-protein-associated TRAP-Ts) that require the action of a TPR-containing accessory protein for the periplasmic transport of a potentially hydrophobic ligand(s).

  7. Magnetic and transport properties of Co–Cu microwires with granular structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhukova, V., E-mail: valentina.zhukova@ehu.es [Dpto. de Física de Materiales, Fac. Químicas, UPV/EHU, 20018, San Sebastián (Spain); Garcia, C. [Bogazici Univ., Dept Phys, TR-34342 Istanbul (Turkey); Departamento de Fisica, Universidad Técnica Federico Santa María, P.O. Box 110-V, Valparaiso (Chile); Val, J.J. del; Ilyn, M. [Dpto. de Física de Materiales, Fac. Químicas, UPV/EHU, 20018, San Sebastián (Spain); Granovsky, A. [Dpto. de Física de Materiales, Fac. Químicas, UPV/EHU, 20018, San Sebastián (Spain); Moscow State University, Moscow, Phys. Faculty, 119991 (Russian Federation); Zhukov, A. [Dpto. de Física de Materiales, Fac. Químicas, UPV/EHU, 20018, San Sebastián (Spain); IKERBASQUE, Basque Foundation for Science, 48011 Bilbao (Spain)

    2013-09-30

    Magnetic, transport and structural properties of granular Co{sub x}–Cu{sub 100−x} (5 < x < 40 at.%) glass-coated microwires were studied. Co–Cu microwires exhibited giant magnetoresistance (GMR) effect. For x = 5% we observed the resistivity minimum at 40 K associated with the Kondo effect. For x > 10 partial evidences of granular structure have been observed. For x ≥ 30 anisotropic contribution to GMR has been observed giving rise to non-monotonic dependence of GMR on the field. Temperature dependence of magnetization measured during a cooling regime without external magnetic field and in the presence of the field shows considerable difference at low temperatures, being attributed to the presence of small Co grains embedded in the Cu matrix. By X-ray diffraction we found, that the structure of the metallic nucleus is granular consisting of two phases: fcc Cu appearing in all the samples and fcc α-Co presented only in microwires with higher Co content. For low Co content (x ≤ 10%) X-ray diffraction technique indicates that Co atoms are distributed within the Cu crystals. The quantity and the crystallite size of the formed phases strongly depend on the geometry of the microwire. The structure, magnetic and transport properties were affected by the glass coating inducing the internal stresses and affecting the quenching rate. - Highlights: ► Systematic study of magnetic and transport properties of Co-Cu microwires. ► Observation of Giant Magnetoresistance effect in Co{sub x}Cu100{sub −x} microwires. ► Observation of Kondo-like behavior in Co{sub x}Cu100{sub −x} at lower Co content (5%). ► Discussions of the effect of internal stresses on the properties of Co-Cu microwires. ► Discussion of the effect of composition on the properties of Co-Cu microwires.

  8. Effect of anomalous transport coefficients on the thermal structure of the storm time auroral ionosphere

    International Nuclear Information System (INIS)

    Fontheim, E.G.; Ong, R.S.B.; Roble, R.G.; Mayr, H.G.; Hoegy, W.H.; Baron, M.J.; Wickwar, V.B.

    1978-01-01

    By analyzing an observed storm time auroral electron temperature profile it is shown that anomalous transport effects strongly influence the thermal structure of the disturbed auroral ionosphere. Such anomalous transport effects are a consequence of plasma turbulence, the existence of which has been established by a large number of observations in the auroral ionosphere. The electron and composite ion energy equations are solved with anomalous electron thermal conductivity and parallel electrical resistivity coefficients. The solutions are parameterized with respect to a phenomenological altitude-dependent anomaly coefficient A and are compared with an observed storm time electron temperature profile above Chatanika. The calculated temperature profile for the classical case (A=1)disagrees considerably with the measured profile over most of the altitude range up to 450km. It is shown that an anomaly coefficient with a sharp peak of the order of 10 4 centered aroung the F 2 peak is consistent with observations

  9. Structural transition, subgap states, and carrier transport in anion-engineered zinc oxynitride nanocrystalline films

    International Nuclear Information System (INIS)

    Xian, Fenglin; Ye, Jiandong; Gu, Shulin; Tan, Hark Hoe; Jagadish, Chennupati

    2016-01-01

    In this work, anion alloying is engineered in ZnON nanocrystalline films, and the resultant evolution of the structural transition, subgap states, and carrier transport is investigated. A broad distribution of sub-gap states above the valence band maximum is introduced by nitrogen due to the hybridization of N 2p and O 2p orbitals. The phase transition from partially amorphous states to full crystallinity occurs above a characteristic growth temperature of 100 °C, and the localized states are suppressed greatly due to the reduction of nitrogen composition. The electronic properties are dominated by grain boundary scattering and electron transport across boundary barriers through thermal activation at band edge states at high temperatures. The conductivity below 130 K exhibits a weak temperature dependence, which is a signature of variable-range hopping conduction between localized states introduced by nitrogen incorporation.

  10. Hadron Azimuthal Correlations and Mach-like Structures in a Partonic/Hadronic Transport Model

    International Nuclear Information System (INIS)

    Ma, G.L.; Zhang, S.; Ma, Y.G.; Cai, X.Z.; Chen, J.H.; He, Z.J.; Huang, H.Z.; Long, J.L.; Shen, W.Q.; Shi, X.H.; Zhong, C.; Zuo, J.X.

    2007-01-01

    With a multi-phase transport model (AMPT) with both partonic and hadronic interactions, two- and three-particle azimuthal correlations in Au + Au collisions at s NN =200 GeV have been studied by the mixing-event technique. A Mach-like structure has been observed in two- and three-particle correlations in central collisions. It has been found that both partonic and hadronic dynamical mechanisms contribute to the Mach-like structure. However, only hadronic rescattering is unable to reproduce experimental amplitude of Mach-like structure, and parton cascade process is indispensable. The results of three-particle correlation indicate a partonic Mach-like shock wave can be produced by strong parton cascade in central Au+Au collisions

  11. Scaling of phloem structure and optimality of photoassimilate transport in conifer needles

    DEFF Research Database (Denmark)

    Ronellenfitsch, Henrik; Liesche, Johannes; Jensen, Kaare Hartvig

    2015-01-01

    The phloem vascular system facilitates transport of energy-rich sugar and signalling molecules in plants, thus permitting long-range communication within the organism and growth of non-photosynthesizing organs such as roots and fruits. The flow is driven by osmotic pressure, generated...... by differences in sugar concentration between distal parts of the plant. The phloem is an intricate distribution system, and many questions about its regulation and structural diversity remain unanswered. Here, we investigate the phloem structure in the simplest possible geometry: a linear leaf, found......, for example, in the needles of conifer trees. We measure the phloem structure in four tree species representing a diverse set of habitats and needle sizes, from 1 (Picea omorika) to 35 cm (Pinus palustris). We show that the phloem shares common traits across these four species and find that the size of its...

  12. Peptides actively transported across the tympanic membrane: Functional and structural properties.

    Directory of Open Access Journals (Sweden)

    Arwa Kurabi

    Full Text Available Otitis media (OM is the most common infectious disease of children under six, causing more antibiotic prescriptions and surgical procedures than any other pediatric condition. By screening a bacteriophage (phage library genetically engineered to express random peptides on their surfaces, we discovered unique peptides that actively transport phage particles across the intact tympanic membrane (TM and into the middle ear (ME. Herein our goals were to characterize the physiochemical peptide features that may underlie trans-TM phage transport; assess morphological and functional effects of phage peptides on the ME and inner ear (IE; and determine whether peptide-bearing phage transmigrate from the ME into the IE. Incubation of five peptide-bearing phage on the TM for over 4hrs resulted in demonstrably superior transport of one peptide, in level and in exponential increase over time. This suggests a preferred peptide motif for TM active transport. Functional and structural comparisons revealed unique features of this peptide: These include a central lysine residue, isoelectric point of 0.0 at physiological pH and a hydrophobic C-terminus. When the optimal peptide was applied to the TM independent of phage, similar transport was observed, indicating that integration into phage is not required. When 109 particles of the four different trans-TM phage were applied directly into the ME, no morphological effects were detected in the ME or IE when compared to saline or wild-type (WT phage controls. Comparable, reversible hearing loss was observed for saline controls, WT phage and trans-TM peptide phage, suggesting a mild conductive hearing loss due to ME fluid. Perilymph titers after ME incubation established that few copies of trans-TM peptide phage crossed into the IE. The results suggest that, within the parameters tested, trans-TM peptides are safe and could be used as potential agents for noninvasive delivery of drugs, particles and gene therapy

  13. A Monte Carlo method using octree structure in photon and electron transport

    International Nuclear Information System (INIS)

    Ogawa, K.; Maeda, S.

    1995-01-01

    Most of the early Monte Carlo calculations in medical physics were used to calculate absorbed dose distributions, and detector responses and efficiencies. Recently, data acquisition in Single Photon Emission CT (SPECT) has been simulated by a Monte Carlo method to evaluate scatter photons generated in a human body and a collimator. Monte Carlo simulations in SPECT data acquisition are generally based on the transport of photons only because the photons being simulated are low energy, and therefore the bremsstrahlung productions by the electrons generated are negligible. Since the transport calculation of photons without electrons is much simpler than that with electrons, it is possible to accomplish the high-speed simulation in a simple object with one medium. Here, object description is important in performing the photon and/or electron transport using a Monte Carlo method efficiently. The authors propose a new description method using an octree representation of an object. Thus even if the boundaries of each medium are represented accurately, high-speed calculation of photon transport can be accomplished because the number of voxels is much fewer than that of the voxel-based approach which represents an object by a union of the voxels of the same size. This Monte Carlo code using the octree representation of an object first establishes the simulation geometry by reading octree string, which is produced by forming an octree structure from a set of serial sections for the object before the simulation; then it transports photons in the geometry. Using the code, if the user just prepares a set of serial sections for the object in which he or she wants to simulate photon trajectories, he or she can perform the simulation automatically using the suboptimal geometry simplified by the octree representation without forming the optimal geometry by handwriting

  14. Incentives for the use of depleted uranium alloys as transport cask containment structure

    International Nuclear Information System (INIS)

    McConnell, P.; Salzbrenner, R.; Wellman, G.W.; Sorenson, K.B.

    1992-01-01

    Radioactive material transport casks use either lead or depleted uranium (DU) as gamma-ray shielding material. Stainless steel is conventionally used for structural containment. If a DU alloy had sufficient properties to guarantee resistance to failure during both nominal use and accident conditions to serve the dual-role of shielding and containment, the use of other structure materials (i.e., stainless steel) could be reduced. (It is recognized that lead can play no structural role.) Significant reductions in cask weight and dimensions could then be achieved perhaps allowing an increase in payload. The mechanical response of depleted uranium has previously not been included in calculations intended to show that DU-shielded transport casks will maintain their containment function during all conditions. This paper describesa two-part study of depleted uranium alloys: First, the mechanical behavior of DU alloys was determined in order to extend the limited set of mechanical properties reported in the literature. The mechanical properties measured include the tensile behavior the impact energy. Fracture toughness testing was also performed to determine the sensitivity of DU alloys to brittle fracture. Fracture toughness is the inherent material property which quantifies the fracmm resistance of a material. Tensile strength and ductility are significant in terms of other failure modes, however, as win be discussed. These mechanical properties were then input into finite element calculations of cask response to loading conditions to quantify the potential for claiming structural credit for DU. (The term ''structural credit'' describes whether a material has adequate properties to allow it to assume a positive role in withstanding structural loadings.)

  15. Incentives for the use of depleted uranium alloys as transport cask containment structure

    International Nuclear Information System (INIS)

    McConnell, P.; Salzbrenner, R.; Wellman, G.W.; Sorenson, K.B.

    1993-01-01

    Radioactive material transport casks use either lead or depleted uranium (DU) as gamma-ray shielding material. Stainless steel is conventionally used for structural containment. If a DU alloy had sufficient properties to guarantee resistance to failure during both normal use and accident conditions to serve the dual-role of shielding and containment, the use of other structural materials (i.e., stainless steel) could be reduced. (It is recognized that lead can play no structural role.) Significant reductions in cask weight and dimensions could then be achieved perhaps allowing an increase in payload. The mechanical response of depleted uranium has previously not been included in calculations intended to show that DU-shielded transport casks will maintain their containment function during all conditions. This paper describes a two-part study of depleted uranium alloys: First, the mechanical behavior of DU alloys was determined in order to extend the limited set of mechanical properties reported in the literature (Eckelmeyer, 1991). The mechanical properties measured include the tensile behavior the impact energy. Fracture toughness testing was also performed to determine the sensitivity of DU alloys to brittle fracture. Fracture toughness is the inherent material property which quantifies the fracture resistance of a material. Tensile strength and ductility are significant in terms of other failure modes, however, as will be discussed. These mechanical properties were then input into finite element calculations of cask response to loading conditions to quantify the potential for claiming structural credit for DU. (The term 'structural credit' describes whether a material has adequate properties to allow it to assume a positive role in withstanding structural loadings.) (J.P.N.)

  16. Crystal structure of the vitamin B3 transporter PnuC, a full-length SWEET homolog

    NARCIS (Netherlands)

    Jähme, Michael; Guskov, Albert; Slotboom, Dirk Jan

    2014-01-01

    PnuC transporters catalyze cellular uptake of the NAD(+) precursor nicotinamide riboside (NR) and belong to a large superfamily that includes the SWEET sugar transporters. We present a crystal structure of Neisseria mucosa PnuC, which adopts a highly symmetrical fold with 3 + 1 + 3 membrane topology

  17. A structure-based model for the transport of passive scalars in homogeneous turbulent flows

    International Nuclear Information System (INIS)

    Panagiotou, C.F.; Kassinos, S.C.

    2016-01-01

    Highlights: • The Interacting Particle Representation Model (IPRM) is extended for passive scalar transport. • We develop a structure-based set of scale equations for the scalar field and couple them to the IPRM. • The complete model is evaluated for several cases of homogeneous deformation with good results. • We outline steps for coupling the new scalar scales to the Algebraic Structure-Based Model (ASBM). - Abstract: A structure-based model has been constructed, for the first time, for the study of passive scalar transport in turbulent flows. The scalar variance and the large-scale scalar gradient variance are proposed as the two turbulence scales needed for closure of the scalar equations in the framework of the Interacting Particle Representation Model (IPRM). The scalar dissipation rate is modeled in terms of the scalar variance and the large-scale enstrophy of the velocity field. Model parameters are defined by matching the decay rates in freely isotropic turbulence. The model is validated for a large number of cases of deformation in both fixed and rotating frames, showing encouraging results. The model shows good agreement with DNS results for the case of pure shear flow in the presence of either transverse or streamwise mean scalar gradient, while it correctly predicts the presence of direct cascade for the passive scalar variance in two dimensional isotropic turbulence.

  18. Electronic structure and molecular orbital study of hole-transport material triphenylamine derivatives

    International Nuclear Information System (INIS)

    Wang, B.-C.; Liao, H.-R.; Chang, J.-C.; Chen Likey; Yeh, J.-T.

    2007-01-01

    Recently, triphenylamine (TPA), 4,4'-bis(phenyl-m-tolylamino)biphenyl (TPD), 4,4'-bis(1-naphthylphenylamino)biphenyl (NPB) and their derivatives are widely used in the organic light-emitting diode (OLED) devices as a hole-transporting material (HTM) layer. We have optimized twenty different structures of HTM materials by using density functional theory (DFT), B3LYP/6-31G method. All these different structures contain mono-amine and diamine TPA derivatives. The energies of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) along with molecular orbitals for these HTMs are also determined. We have found that the central amine nitrogen atom and the phenyl ring, which is next to the central amine nitrogen atom, show significant contribution to the HOMO and LUMO, respectively. The sum of the calculated bond angles (α+β+γ) of the central amine nitrogen atom has been applied to describe the bonding and the energy difference for HOMO and LUMO in these TPA derivatives. Electronic structure calculations have been performed for these TPA derivatives. Again, the LCAO-MO patterns of HOMO and LUMO levels of these derivatives are used to investigate their electron density. A series of electron-transporting steps are predicted for these compounds employing these calculated results

  19. Pilot study on rugged fiber optic brillouin sensors for large-strain measurements to ensure the safety of transportation structures.

    Science.gov (United States)

    2012-07-01

    Brillouin-scattering Optical Time Domain Reflectometry (BOTDR) is a viable technology for simultaneous, distributed : strain and temperature measurements for miles-long transportation structures. It is a promising tool to ensure the smooth : operatio...

  20. Identification and functional analysis of two Golgi-localized UDP-galactofuranose transporters with overlapping functions in Aspergillus niger.

    Science.gov (United States)

    Park, Joohae; Tefsen, Boris; Heemskerk, Marc J; Lagendijk, Ellen L; van den Hondel, Cees A M J J; van Die, Irma; Ram, Arthur F J

    2015-11-02

    Galactofuranose (Galf)-containing glycoconjugates are present in numerous microbes, including filamentous fungi where they are important for morphology, virulence and maintaining cell wall integrity. The incorporation of Galf-residues into galactomannan, galactomannoproteins and glycolipids is carried out by Golgi-localized Galf transferases. The nucleotide sugar donor used by these transferases (UDP-Galf) is produced in the cytoplasm and has to be transported to the lumen of the Golgi by a dedicated nucleotide sugar transporter. Based on homology with recently identified UDP-Galf-transporters in A. fumigatus and A. nidulans, two putative UDP-Galf-transporters in A. niger were found. Their function and localization was determined by gene deletions and GFP-tagging studies, respectively. The two putative UDP-Galf-transporters in A. niger are homologous to each other and are predicted to contain eleven transmembrane domains (UgtA) or ten transmembrane domains (UgtB) due to a reduced length of the C-terminal part of the UgtB protein. The presence of two putative UDP-Galf-transporters in the genome was not unique for A. niger. From the twenty Aspergillus species analysed, nine species contained two additional putative UDP-Galf-transporters. Three of the nine species were outside the Aspergillus section nigri, indication an early duplication of UDP-Galf-transporters and subsequent loss of the UgtB copy in several aspergilli. Deletion analysis of the single and double mutants in A. niger indicated that the two putative UDP-Galf-transporters (named UgtA and UgtB) have a redundant function in UDP-Galf-transport as only the double mutant displayed a Galf-negative phenotype. The Galf-negative phenotype of the double mutant could be complemented by expressing either CFP-UgtA or CFP-UgtB fusion proteins from their endogenous promoters, indicating that both CFP-tagged proteins are functional. Both Ugt proteins co-localize with each other as well as with the GDP

  1. Thermal transport in layered structure of YBa2Cu3O7-δ superconductors

    Science.gov (United States)

    Sharma, Rakhi; Indu, B. D.

    2017-12-01

    The heat transfer study in YBa2Cu3O7-δ superconductors structures is focused on the influence of the effect of scattering events in cross-plane and in-plane references. Understanding the mechanism of controlling the thermal conductivity of layered superconductors is an area of interest for nano microelectronics and thermo-electronic technological applications. The model of the thermal conduction, and phonon transport perpendicular and parallel to the layers of YBa2Cu3O7-δ are developed. It has been justified via numerical estimation and found substantial diminution in thermal conductivities in both in-plane and cross-plane directions of layered cuprate superconductors.

  2. Analysis of an optimal public transport structure under a carbon emission constraint: a case study in Shanghai, China.

    Science.gov (United States)

    Zhang, Linling; Long, Ruyin; Chen, Hong; Yang, Tong

    2018-02-01

    Along with the rapid development of the transportation industry, the problems of the energy crisis and transport emissions have become increasingly serious. The success of traffic emission reduction is related to the realization of global low-carbon goals. Placing priority on public transport is the internationally recognized traffic development model. This paper takes Shanghai, China, as an example to examine the optimal public transport structure. Five factors were selected from personal and public perspectives, including travel costs, crowding degree, occupied area, traffic emissions, and operating subsidies. The objective functions of these factors were transformed into satisfaction functions, and a multi-objective programming model was used to solve for the optimal proportions of the ground bus and rail transit, and the carbon emission reduction potential was analyzed in different scenarios. The study showed that the actual proportion of rail transit in Shanghai was slightly lower than the optimal value, and accompanied by low satisfaction with each factor relative to the optimal value. It was difficult to achieve the traffic emission reduction targets by only reducing satisfaction with other factors except carbon emissions assuming a fixed proportion of public transport. As the proportion of total travel represented by public transport increased, rail transit became the main mode of public transport and the usage trend was more obvious, but the structure of public transport gradually reached a relatively stable state after a certain level of development. Compared to reducing carbon emissions by changing satisfaction with other factors, it was easier to achieve traffic emission reduction targets by increasing the proportion of public transport. To increase the proportion of public transport travel and achieve the goal of traffic reduction in the future, further improvements are needed in the quality of public transport system services, public transport

  3. Structures and transport dynamics of a Campylobacter jejuni multidrug efflux pump

    Energy Technology Data Exchange (ETDEWEB)

    Su, Chih-Chia; Yin, Linxiang; Kumar, Nitin; Dai, Lei; Radhakrishnan, Abhijith; Bolla, Jani Reddy; Lei, Hsiang-Ting; Chou, Tsung-Han; Delmar, Jared A.; Rajashankar, Kanagalaghatta R.; Zhang, Qijing; Shin, Yeon-Kyun; Yu, Edward W. (Cornell); (Iowa State)

    2017-08-01

    Resistance-nodulation-cell division efflux pumps are integral membrane proteins that catalyze the export of substrates across cell membranes. Within the hydrophobe-amphiphile efflux subfamily, these resistance-nodulation-cell division proteins largely form trimeric efflux pumps. The drug efflux process has been proposed to entail a synchronized motion between subunits of the trimer to advance the transport cycle, leading to the extrusion of drug molecules. Here we use X-ray crystallography and single-molecule fluorescence resonance energy transfer imaging to elucidate the structures and functional dynamics of the Campylobacter jejuni CmeB multidrug efflux pump. We find that the CmeB trimer displays a very unique conformation. A direct observation of transport dynamics in individual CmeB trimers embedded in membrane vesicles indicates that each CmeB subunit undergoes conformational transitions uncoordinated and independent of each other. On the basis of our findings and analyses, we propose a model for transport mechanism where CmeB protomers function independently within the trimer.

  4. New Perspectives on Blowing Snow Transport, Sublimation, and Layer Thermodynamic Structure over Antarctica

    Science.gov (United States)

    Palm, Steve; Kayetha, Vinay; Yang, Yuekui; Pauly, Rebecca M.

    2017-01-01

    Blowing snow over Antarctica is a widespread and frequent event. Satellite remote sensing using lidar has shown that blowing snow occurs over 70% of the time over large areas of Antarctica in winter. The transport and sublimation of blowing snow are important terms in the ice sheet mass balance equation and the latter is also an important part of the hydrological cycle. Until now the only way to estimate the magnitude of these processes was through model parameterization. We present a technique that uses direct satellite observations of blowing snow and model (MERRA-2) temperature and humidity fields to compute both transport and sublimation of blowing snow over Antarctica for the period 2006 to 2016. The results show a larger annual continent-wide integrated sublimation than current published estimates and a significant transport of snow from continent to ocean. The talk will also include the lidar backscatter structure of blowing snow layers that often reach heights of 200 to 300 m as well as the first dropsonde measurements of temperature, moisture and wind through blowing snow layers.

  5. The Structure of a Cyanobacterial Bicarbonate Transport Protein, CmpA

    Energy Technology Data Exchange (ETDEWEB)

    Koropatkin, Nicole M.; Koppenaal, David W.; Pakrasi, Himadri B.; Smith, Thomas J.

    2007-01-26

    Cyanobacteria, blue-green algae, are the most abundant autotrophs in aquatic environments and form the base of the food chain by fixing carbon and nitrogen into cellular biomass. To compensate for the low selectivity of Rubisco for CO₂ over O₂, Cyanobacteria have developed highly efficient CO₂concentrating machinery of which the ABC transport system CmpABCD from Synechocystis PCC 6803 is one component. Here we describe the structure of the bicarbonate binding protein, CmpA, in the absence and presence of bicarbonate and carbonic acid. CmpA is highly homologous to the nitrate transport protein, NrtA. CmpA binds carbonic acid at the entrance to the ligand-binding pocket whereas bicarbonate binds in nearly an identical location compared to nitrate binding to NrtA. Unexpectedly, bicarbonate binding is accompanied by a metal ion, identified as Ca²⁺ via inductively coupled plasma optical emission spectrometry. The binding of bicarbonate and metal is highly cooperative and suggests that CmpA co-transports bicarbonate and calcium.

  6. The Factors Influencing Satisfaction with Public City Transport: A Structural Equation Modelling Approach

    Directory of Open Access Journals (Sweden)

    Pawlasova Pavlina

    2015-12-01

    Full Text Available Satisfaction is one of the key factors which influences customer loyalty. We assume that the satisfied customer will be willing to use the ssame service provider again. The overall passengers´ satisfaction with public city transport may be affected by the overall service quality. Frequency, punctuality, cleanliness in the vehicle, proximity, speed, fare, accessibility and safety of transport, information and other factors can influence passengers´ satisfaction. The aim of this paper is to quantify factors and identify the most important factors influencing customer satisfaction with public city transport within conditions of the Czech Republic. Two methods of analysis are applied in order to fulfil the aim. The method of factor analysis and the method Varimax were used in order to categorize variables according to their mutual relations. The method of structural equation modelling was used to evaluate the factors and validate the model. Then, the optimal model was found. The logistic parameters, including service continuity and frequency, and service, including information rate, station proximity and vehicle cleanliness, are the factors influencing passengers´ satisfaction on a large scale.

  7. Mean-field Theory for Some Bus Transport Networks with Random Overlapping Clique Structure

    International Nuclear Information System (INIS)

    Yang Xuhua; Sun Bao; Wang Bo; Sun Youxian

    2010-01-01

    Transport networks, such as railway networks and airport networks, are a kind of random network with complex topology. Recently, more and more scholars paid attention to various kinds of transport networks and try to explore their inherent characteristics. Here we study the exponential properties of a recently introduced Bus Transport Networks (BTNs) evolution model with random overlapping clique structure, which gives a possible explanation for the observed exponential distribution of the connectivities of some BTNs of three major cities in China. Applying mean-field theory, we analyze the BTNs model and prove that this model has the character of exponential distribution of the connectivities, and develop a method to predict the growth dynamics of the individual vertices, and use this to calculate analytically the connectivity distribution and the exponents. By comparing mean-field based theoretic results with the statistical data of real BTNs, we observe that, as a whole, both of their data show similar character of exponential distribution of the connectivities, and their exponents have same order of magnitude, which show the availability of the analytical result of this paper. (general)

  8. Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes.

    Science.gov (United States)

    Borodin, Oleg; Suo, Liumin; Gobet, Mallory; Ren, Xiaoming; Wang, Fei; Faraone, Antonio; Peng, Jing; Olguin, Marco; Schroeder, Marshall; Ding, Michael S; Gobrogge, Eric; von Wald Cresce, Arthur; Munoz, Stephen; Dura, Joseph A; Greenbaum, Steve; Wang, Chunsheng; Xu, Kang

    2017-10-24

    Using molecular dynamics simulations, small-angle neutron scattering, and a variety of spectroscopic techniques, we evaluated the ion solvation and transport behaviors in aqueous electrolytes containing bis(trifluoromethanesulfonyl)imide. We discovered that, at high salt concentrations (from 10 to 21 mol/kg), a disproportion of cation solvation occurs, leading to a liquid structure of heterogeneous domains with a characteristic length scale of 1 to 2 nm. This unusual nano-heterogeneity effectively decouples cations from the Coulombic traps of anions and provides a 3D percolating lithium-water network, via which 40% of the lithium cations are liberated for fast ion transport even in concentration ranges traditionally considered too viscous. Due to such percolation networks, superconcentrated aqueous electrolytes are characterized by a high lithium-transference number (0.73), which is key to supporting an assortment of battery chemistries at high rate. The in-depth understanding of this transport mechanism establishes guiding principles to the tailored design of future superconcentrated electrolyte systems.

  9. Magneto-transport phenomena in metal/SiO2/n(p)-Si hybrid structures

    Science.gov (United States)

    Volkov, N. V.; Tarasov, A. S.; Rautskii, M. V.; Lukyanenko, A. V.; Bondarev, I. A.; Varnakov, S. N.; Ovchinnikov, S. G.

    2018-04-01

    Present review touches upon a subject of magnetotransport phenomena in hybrid structures which consist of ferromagnetic or nonmagnetic metal layer, layer of silicon oxide and silicon substrate with n- or p-type conductivity. Main attention will be paid to a number gigantic magnetotransport effects discovered in the devices fabricated on the base of the M/SiO2/n(p)-Si (M is ferromagnetic or paramagnetic metal) hybrid structures. These effects include bias induced dc magnetoresistance, gigantic magnetoimpedance, dc magnetoresistance induced by an optical irradiation and lateral magneto-photo-voltaic effect. The magnetoresistance ratio in ac and dc modes for some of our devices can exceed 106% in a magnetic field below 1 T. For lateral magneto-photo-voltaic effect, the relative change of photo-voltage in magnetic field can reach 103% at low temperature. Two types of mechanisms are responsible for sensitivity of the transport properties of the silicon based hybrid structures to magnetic field. One is related to transformation of the energy structure of the (donor) acceptor states including states near SiO2/n(p)-Si interface in magnetic field. Other mechanism is caused by the Lorentz force action. The features in behaviour of magnetotransport effects in concrete device depend on composition of the used structure, device topology and experimental conditions (bias voltage, optical radiation and others). Obtained results can be base for design of some electronic devices driven by a magnetic field. They can also provide an enhancement of the functionality for existing sensors.

  10. Sequence- and Structure-Based Functional Annotation and Assessment of Metabolic Transporters in Aspergillus oryzae: A Representative Case Study

    Directory of Open Access Journals (Sweden)

    Nachon Raethong

    2016-01-01

    Full Text Available Aspergillus oryzae is widely used for the industrial production of enzymes. In A. oryzae metabolism, transporters appear to play crucial roles in controlling the flux of molecules for energy generation, nutrients delivery, and waste elimination in the cell. While the A. oryzae genome sequence is available, transporter annotation remains limited and thus the connectivity of metabolic networks is incomplete. In this study, we developed a metabolic annotation strategy to understand the relationship between the sequence, structure, and function for annotation of A. oryzae metabolic transporters. Sequence-based analysis with manual curation showed that 58 genes of 12,096 total genes in the A. oryzae genome encoded metabolic transporters. Under consensus integrative databases, 55 unambiguous metabolic transporter genes were distributed into channels and pores (7 genes, electrochemical potential-driven transporters (33 genes, and primary active transporters (15 genes. To reveal the transporter functional role, a combination of homology modeling and molecular dynamics simulation was implemented to assess the relationship between sequence to structure and structure to function. As in the energy metabolism of A. oryzae, the H+-ATPase encoded by the AO090005000842 gene was selected as a representative case study of multilevel linkage annotation. Our developed strategy can be used for enhancing metabolic network reconstruction.

  11. Sequence- and Structure-Based Functional Annotation and Assessment of Metabolic Transporters in Aspergillus oryzae: A Representative Case Study.

    Science.gov (United States)

    Raethong, Nachon; Wong-Ekkabut, Jirasak; Laoteng, Kobkul; Vongsangnak, Wanwipa

    2016-01-01

    Aspergillus oryzae is widely used for the industrial production of enzymes. In A. oryzae metabolism, transporters appear to play crucial roles in controlling the flux of molecules for energy generation, nutrients delivery, and waste elimination in the cell. While the A. oryzae genome sequence is available, transporter annotation remains limited and thus the connectivity of metabolic networks is incomplete. In this study, we developed a metabolic annotation strategy to understand the relationship between the sequence, structure, and function for annotation of A. oryzae metabolic transporters. Sequence-based analysis with manual curation showed that 58 genes of 12,096 total genes in the A. oryzae genome encoded metabolic transporters. Under consensus integrative databases, 55 unambiguous metabolic transporter genes were distributed into channels and pores (7 genes), electrochemical potential-driven transporters (33 genes), and primary active transporters (15 genes). To reveal the transporter functional role, a combination of homology modeling and molecular dynamics simulation was implemented to assess the relationship between sequence to structure and structure to function. As in the energy metabolism of A. oryzae, the H(+)-ATPase encoded by the AO090005000842 gene was selected as a representative case study of multilevel linkage annotation. Our developed strategy can be used for enhancing metabolic network reconstruction.

  12. First-principles study on band structures and electrical transports of doped-SnTe

    Directory of Open Access Journals (Sweden)

    Xiao Dong

    2016-06-01

    Full Text Available Tin telluride is a thermoelectric material that enables the conversion of thermal energy to electricity. SnTe demonstrates a great potential for large-scale applications due to its lead-free nature and the similar crystal structure to PbTe. In this paper, the effect of dopants (i.e., Mg, Ca, Sr, Ba, Eu, Yb, Zn, Cd, Hg, and In on the band structures and electrical transport properties of SnTe was investigated based on the first-principles density functional theory including spin–orbit coupling. The results show that Zn and Cd have a dominant effect of band convergence, leading to power factor enhancement. Indium induces obvious resonant states, while Hg-doped SnTe exhibits a different behavior with defect states locating slightly above the Fermi level.

  13. Effect of biochar on soil structural characteristics: water retention and gas transport

    DEFF Research Database (Denmark)

    Sun, Zhencai; Møldrup, Per; Vendelboe, Anders Lindblad

    Biochar addition to agricultural soil has been reported to reduce climate gas emission, as well as improve soil fertility and crop productivity. Little, however, is known about biochar effects on soil structural characteristics. This study investigates if biochar-application changes soil structural...... characteristics, as indicated from water retention and gas transport measurements on intact soil samples. Soil was sampled from a field experiment on a sandy loam with four control plots (C) without biochar and four plots (B) with incorporated biochar at a rate of 20 tons per hectare (plot size, 6 x 8 m). The C......-gas diffusivity on intact 100cm3 soil samples (5 replicates in each plot). We found that biochar application significantly decreased soil bulk density, hereby creating higher porosity. At the same soil-water matric potential, all the soil-gas phase parameters (air-filled porosity, air permeability and gas...

  14. Identifying the Critical Links in Road Transportation Networks: Centrality-based approach utilizing structural properties

    Energy Technology Data Exchange (ETDEWEB)

    Chinthavali, Supriya [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-04-01

    Surface transportation road networks share structural properties similar to other complex networks (e.g., social networks, information networks, biological networks, and so on). This research investigates the structural properties of road networks for any possible correlation with the traffic characteristics such as link flows those determined independently. Additionally, we define a criticality index for the links of the road network that identifies the relative importance in the network. We tested our hypotheses with two sample road networks. Results show that, correlation exists between the link flows and centrality measures of a link of the road (dual graph approach is followed) and the criticality index is found to be effective for one test network to identify the vulnerable nodes.

  15. The Effects of Subsurface Bioremediation on Soil Structure, Colloid Formation, and Contaminant Transport

    Science.gov (United States)

    Wang, Y.; Liang, X.; Zhuang, J.; Radosevich, M.

    2016-12-01

    Anaerobic bioremediation is widely applied to create anaerobic subsurface conditions designed to stimulate microorganisms that degrade organic contaminants and immobilize toxic metals in situ. Anaerobic conditions that accompany such techniques also promotes microbially mediated Fe(III)-oxide mineral reduction. The reduction of Fe(III) could potentially cause soil structure breakdown, formation of clay colloids, and alternation of soil surface chemical properties. These processes could then affect bioremediation and the migration of contaminants. Column experiments were conducted to investigate the impact of anaerobic bioreduction on soil structure, hydraulic properties, colloid formation, and transport of three tracers (bromide, DFBA, and silica shelled silver nanoparticles). Columns packed with inoculated water stable soil aggregates were placed in anaerobic glovebox, and artificial groundwater media was pumped into the columns to simulate anaerobic bioreduction process for four weeks. Decent amount of soluble Fe(II) accompanied by colloids were detected in the effluent from bioreduction columns a week after initiation of bioreduction treatment, which demonstrated bioreduction of Fe(III) and formation of colloids. Transport experiments were performed in the columns before and after bioreduction process to assess the changes of hydraulic and surface chemical properties through bioreduction treatment. Earlier breakthrough of bromide and DFBA after treatment indicated alterations in flow paths (formation of preferential flow paths). Less dispersion of bromide and DFBA, and less tailing of DFBA after treatment implied breakdown of soil aggregates. Dramatically enhanced transport and early breakthrough of silica shelled silver nanoparticles after treatment supported the above conclusion of alterations in flow paths, and indicated changes of soil surface chemical properties.

  16. A novel explicit approach to model bromide and pesticide transport in connected soil structures

    Directory of Open Access Journals (Sweden)

    J. Klaus

    2011-07-01

    Full Text Available The present study tests whether an explicit treatment of worm burrows and tile drains as connected structures is feasible for simulating water flow, bromide and pesticide transport in structured heterogeneous soils at hillslope scale. The essence is to represent worm burrows as morphologically connected paths of low flow resistance in a hillslope model. A recent Monte Carlo study (Klaus and Zehe, 2010, Hydrological Processes, 24, p. 1595–1609 revealed that this approach allowed successful reproduction of tile drain event discharge recorded during an irrigation experiment at a tile drained field site. However, several "hillslope architectures" that were all consistent with the available extensive data base allowed a good reproduction of tile drain flow response. Our second objective was thus to find out whether this "equifinality" in spatial model setups may be reduced when including bromide tracer data in the model falsification process. We thus simulated transport of bromide for the 13 spatial model setups that performed best with respect to reproduce tile drain event discharge, without any further calibration. All model setups allowed a very good prediction of the temporal dynamics of cumulated bromide leaching into the tile drain, while only four of them matched the accumulated water balance and accumulated bromide loss into the tile drain. The number of behavioural model architectures could thus be reduced to four. One of those setups was used for simulating transport of Isoproturon, using different parameter combinations to characterise adsorption according to the Footprint data base. Simulations could, however, only reproduce the observed leaching behaviour, when we allowed for retardation coefficients that were very close to one.

  17. A novel explicit approach to model bromide and pesticide transport in connected soil structures

    Science.gov (United States)

    Klaus, J.; Zehe, E.

    2011-07-01

    The present study tests whether an explicit treatment of worm burrows and tile drains as connected structures is feasible for simulating water flow, bromide and pesticide transport in structured heterogeneous soils at hillslope scale. The essence is to represent worm burrows as morphologically connected paths of low flow resistance in a hillslope model. A recent Monte Carlo study (Klaus and Zehe, 2010, Hydrological Processes, 24, p. 1595-1609) revealed that this approach allowed successful reproduction of tile drain event discharge recorded during an irrigation experiment at a tile drained field site. However, several "hillslope architectures" that were all consistent with the available extensive data base allowed a good reproduction of tile drain flow response. Our second objective was thus to find out whether this "equifinality" in spatial model setups may be reduced when including bromide tracer data in the model falsification process. We thus simulated transport of bromide for the 13 spatial model setups that performed best with respect to reproduce tile drain event discharge, without any further calibration. All model setups allowed a very good prediction of the temporal dynamics of cumulated bromide leaching into the tile drain, while only four of them matched the accumulated water balance and accumulated bromide loss into the tile drain. The number of behavioural model architectures could thus be reduced to four. One of those setups was used for simulating transport of Isoproturon, using different parameter combinations to characterise adsorption according to the Footprint data base. Simulations could, however, only reproduce the observed leaching behaviour, when we allowed for retardation coefficients that were very close to one.

  18. Crystal structural, magnetic and electrical transport properties of CeKFeMoO6 double perovskite

    International Nuclear Information System (INIS)

    Huo Guoyan; Ren Minghui; Wang Xiaoqing; Zhang Hongrui; Shi Pengfei

    2010-01-01

    The crystal structural, magnetic and electrical transport properties of double perovskite CeKFeMoO 6 have been investigated. The crystal structure of the compound is assigned to the monoclinic system with space group P2 1 /n and its lattice parameters are a=0.55345(3) nm, b=0.56068(2) nm, c=0.78390(1) nm, β=89.874(2). The divergence between zero-field-cooling and field-cooling M-T curves demonstrates the anisotropic behavior. The Curie temperature measured from C p -T curve is about 340 K. Isothermal magnetization curve shows that the saturation and spontaneous magnetization are 1.90 and 1.43 μ B /f.u. at 300 K, respectively. The electrical behavior of the sample shows a semiconductor. The electrical transport behavior can be described by variable range hopping model. Large magnetoresistance, -0.88 and -0.18, can be observed under low magnetic field, 0.5 T, at low and room temperature, respectively.

  19. The structure of the human ABC transporter ABCG2 reveals a novel mechanism for drug extrusion.

    Science.gov (United States)

    Khunweeraphong, Narakorn; Stockner, Thomas; Kuchler, Karl

    2017-10-23

    The human ABC transporter ABCG2 (Breast Cancer Resistance Protein, BCRP) is implicated in anticancer resistance, in detoxification across barriers and linked to gout. Here, we generate a novel atomic model of ABCG2 using the crystal structure of ABCG5/G8. Extensive mutagenesis verifies the structure, disclosing hitherto unrecognized essential residues and domains in the homodimeric ABCG2 transporter. The elbow helix, the first intracellular loop (ICL1) and the nucleotide-binding domain (NBD) constitute pivotal elements of the architecture building the transmission interface that borders a central cavity which acts as a drug trap. The transmission interface is stabilized by salt-bridge interactions between the elbow helix and ICL1, as well as within ICL1, which is essential to control the conformational switch of ABCG2 to the outward-open drug-releasing conformation. Importantly, we propose that ICL1 operates like a molecular spring that holds the NBD dimer close to the membrane, thereby enabling efficient coupling of ATP hydrolysis during the catalytic cycle. These novel mechanistic data open new opportunities to therapeutically target ABCG2 in the context of related diseases.

  20. Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

    Energy Technology Data Exchange (ETDEWEB)

    Kocharian, Armen N. [Department of Physics, California State University, Los Angeles, CA 90032 (United States); Fernando, Gayanath W.; Fang, Kun [Department of Physics, University of Connecticut, Storrs, Connecticut 06269 (United States); Palandage, Kalum [Department of Physics, Trinity College, Hartford, Connecticut 06106 (United States); Balatsky, Alexander V. [AlbaNova University Center Nordita, SE-106 91 Stockholm (Sweden)

    2016-05-15

    Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges and opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters) engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.

  1. Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

    Directory of Open Access Journals (Sweden)

    Armen N. Kocharian

    2016-05-01

    Full Text Available Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges and opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.

  2. Structural basis for solute transport, nucleotide regulation, and immunological recognition of Neisseria meningitidis PorB

    Energy Technology Data Exchange (ETDEWEB)

    Tanabe, Mikio; Nimigean, Crina M.; Iverson, T.M. (Weill-Med); (Vanderbilt)

    2010-06-25

    PorB is the second most prevalent outer membrane protein in Neisseria meningitidis. PorB is required for neisserial pathogenesis and can elicit a Toll-like receptor mediated host immune response. Here, the x-ray crystal structure of PorB has been determined to 2.3 {angstrom} resolution. Structural analysis and cocrystallization studies identify three putative solute translocation pathways through the channel pore: One pathway transports anions nonselectively, one transports cations nonselectively, and one facilitates the specific uptake of sugars. During infection, PorB likely binds host mitochondrial ATP, and cocrystallization with the ATP analog AMP-PNP suggests that binding of nucleotides regulates these translocation pathways both by partial occlusion of the pore and by restricting the motion of a putative voltage gating loop. PorB is located on the surface of N. meningitidis and can be recognized by receptors of the host innate immune system. Features of PorB suggest that Toll-like receptor mediated recognition outer membrane proteins may be initiated with a nonspecific electrostatic attraction.

  3. Tourism sector, Travel agencies, and Transport Suppliers: Comparison of Different Estimators in the Structural Equation Modeling

    Directory of Open Access Journals (Sweden)

    Kovačić Nataša

    2015-11-01

    Full Text Available The paper addresses the effect of external integration (EI with transport suppliers on the efficiency of travel agencies in the tourism sector supply chains. The main aim is the comparison of different estimation methods used in the structural equation modeling (SEM, applied to discover possible relationships between EIs and efficiencies. The latter are calculated by the means of data envelopment analysis (DEA. While designing the structural equation model, the exploratory and confirmatory factor analyses are also used as preliminary statistical procedures. For the estimation of parameters of SEM model, three different methods are explained, analyzed and compared: maximum likelihood (ML method, Bayesian Markov Chain Monte Carlo (BMCMC method, and unweighted least squares (ULS method. The study reveals that all estimation methods calculate comparable estimated parameters. The results also give an evidence of good model fit performance. Besides, the research confirms that the amplified external integration with transport providers leads to increased efficiency of travel agencies, which might be a very interesting finding for the operational management.

  4. Numerical studies of unsteady coherent structures and transport in two-dimensional flows

    Energy Technology Data Exchange (ETDEWEB)

    Hesthaven, J.S.

    1995-08-01

    The dynamics of unsteady two-dimensional coherent structures in various physical systems is studied through direct numerical solution of the dynamical equations using spectral methods. The relation between the Eulerian and the Lagrangian auto-correlation functions in two-dimensional homogeneous, isotropic turbulence is studied. A simple analytic expression for the Eulerian and Lagrangian auto-correlation function for the fluctuating velocity field is derived solely on the basis of the one-dimensional power spectrum. The long-time evolution of monopolar and dipolar vortices in anisotropic systems relevant for geophysics and plasma physics is studied by direct numerical solution. Transport properties and spatial reorganization of vortical structures are found to depend strongly on the initial conditions. Special attention is given to the dynamics of strong monopoles and the development of unsteady tripolar structures. The development of coherent structures in fluid flows, incompressible as well as compressible, is studied by novel numerical schemes. The emphasis is on the development of spectral methods sufficiently advanced as to allow for detailed and accurate studies of the self-organizing processes. (au) 1 ill., 94 refs.

  5. Structural, thermal and ion transport properties of radiation grafted lithium conductive polymer electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Nasef, Mohamed Mahmoud [Business and Advanced Technology Centre (BATC), Universiti Teknologi Malaysia, Jalan Semarak, 54100 Kuala Lumpur (Malaysia)]. E-mail: mahmoudeithar@mailcity.com; Saidi, Hamdani [Business and Advanced Technology Centre (BATC), Universiti Teknologi Malaysia, Jalan Semarak, 54100 Kuala Lumpur (Malaysia)

    2006-10-10

    Structural, thermal and ion transport properties of lithium conductive polymer electrolytes prepared by radiation-induced grafting of styrene onto poly(vinylidene fluoride) (PVDF) films and subsequent activation with LiPH{sub 6}/EC/DEC liquid electrolyte were investigated in correlation with the content of the grafted polystyrene (Y%). The changes in the structure were studied using Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD) and differential scanning calorimetry (DSC). Thermal gravimetric analysis (TGA) was used to evaluate the thermal stability. The ionic conductivity was measured by means of ac impedance spectroscopy at various temperatures. The polymer electrolytes were found to undergo considerable structural and morphological changes that resulted in a noticeable increase in their ionic conductivity with the increase in Y% at various temperatures (25-65 deg. C). The ionic conductivity achieved a value of 1.61 x 10{sup -3} S cm{sup -1} when Y of the polymer electrolyte reached 50% and at 25 deg. C. The polymer electrolytes also showed a multi-step degradation behaviour and thermal stability up to 120 deg. C, which suits normal lithium battery operation temperature range. The overall results of this work suggest that the structural changes took place in PVDF matrix during the preparation of these polymer electrolytes have a strong impact on their various properties.

  6. Modelling of radionuclide transport along the underground access structures of deep geological repositories

    Energy Technology Data Exchange (ETDEWEB)

    Poller, A. [National Cooperative for the Disposal of Radioactive Waste (NAGRA), Wettingen (Switzerland); Smith, P. [SAM Switzerland GmbH, Zuerich (Switzerland); Mayer, G.; Hayek, M. [AF-Consult Switzerland AG, Baden (Switzerland)

    2014-08-15

    The arrangement and sealing of the access routes to a deep geological repository for radioactive waste should ensure that any radionuclide release from the emplacement rooms during the post closure phase does not by-pass the geological barriers of the repository system to a significant extent. The base case of the present study, where realistic values for the hydraulic properties of the seals and the associated excavation damage zones were assumed, assesses to what extent this is actually the case for different layout variants (ramp and shaft access and shaft access only). Furthermore, as a test of robustness of system performance against uncertainties related to such seals and the associated excavation damage zones, the present study also considers a broad spectrum of calculation cases including the hypothetical possibility that the seals perform much more poorly than expected and to check whether, consequently, the repository tunnel system and the access structures may provide significant release pathways. The study considers a generic repository system for high-level waste (HLW repository) and for low- and intermediate-level waste (L/ILW repository), both with Opalinus Clay as the host rock. It also considers the alternative possibilities of a ramp or a shaft as the access route for material transport (waste packages, etc.) to the underground facilities. Additional shafts, e.g. for the transport of persons and for ventilation, are included in both cases. The overall modelling approach consists of three broad steps: (a) the network of tunnels and access structures is implemented in a flow model, which serves to calculate water flow rates along the tunnels and through the host rock; (b) all relevant transport paths are implemented in a radionuclide release and transport model, the water flow rates being obtained from the preceding flow model calculations; (c) individual effective dose rates arising from the radionuclides released from the considered repository

  7. Electronic structure and transport in the low-temperature thermoelectric CsBi4Te6: Semiclassical transport equations

    DEFF Research Database (Denmark)

    Lykke, Lars; Iversen, Bo Brummerstedt; Madsen, Georg

    2006-01-01

    The band structure of the low-temperature thermoelectric material, CsBi4Te6, is calculated and analyzed using the semiclassic transport equations. It is shown that to obtain a quantitative agreement with measured transport properties, a band gap of 0.08 eV must be enforced. A gap in reasonable...... agreement with experiment was obtained using the generalized gradient functional of Engel and Vosko [E. Engel and S. H. Vosko, Phys. Rev. B 47, 13164 (1993)]. We found that the experimental p-type sample has a carrier concentration close to optimal. Furthermore, the conduction bands have a form equally well...

  8. A rice plastidial nucleotide sugar epimerase is involved in galactolipid biosynthesis and improves photosynthetic efficiency.

    Directory of Open Access Journals (Sweden)

    Chunlai Li

    2011-07-01

    Full Text Available Photosynthesis is the final determinator for crop yield. To gain insight into genes controlling photosynthetic capacity, we selected from our large T-DNA mutant population a rice stunted growth mutant with decreased carbon assimilate and yield production named photoassimilate defective1 (phd1. Molecular and biochemical analyses revealed that PHD1 encodes a novel chloroplast-localized UDP-glucose epimerase (UGE, which is conserved in the plant kingdom. The chloroplast localization of PHD1 was confirmed by immunoblots, immunocytochemistry, and UGE activity in isolated chloroplasts, which was approximately 50% lower in the phd1-1 mutant than in the wild type. In addition, the amounts of UDP-glucose and UDP-galactose substrates in chloroplasts were significantly higher and lower, respectively, indicating that PHD1 was responsible for a major part of UGE activity in plastids. The relative amount of monogalactosyldiacylglycerol (MGDG, a major chloroplast membrane galactolipid, was decreased in the mutant, while the digalactosyldiacylglycerol (DGDG amount was not significantly altered, suggesting that PHD1 participates mainly in UDP-galactose supply for MGDG biosynthesis in chloroplasts. The phd1 mutant showed decreased chlorophyll content, photosynthetic activity, and altered chloroplast ultrastructure, suggesting that a correct amount of galactoglycerolipids and the ratio of glycolipids versus phospholipids are necessary for proper chloroplast function. Downregulated expression of starch biosynthesis genes and upregulated expression of sucrose cleavage genes might be a result of reduced photosynthetic activity and account for the decreased starch and sucrose levels seen in phd1 leaves. PHD1 overexpression increased photosynthetic efficiency, biomass, and grain production, suggesting that PHD1 plays an important role in supplying sufficient galactolipids to thylakoid membranes for proper chloroplast biogenesis and photosynthetic activity. These findings will be useful for improving crop yields and for bioenergy crop engineering.

  9. Quaternary structure of the lactose transport protein of Streptococcus thermophilus in the detergent-solubilized and membrane-reconstituted state

    NARCIS (Netherlands)

    Friesen, R.H.E.; Poolman, B.; Knol, J.

    2000-01-01

    The quaternary structure of LacS, the lactose transporter of Streptococcus thermophilus, has been determined for the detergent-solubilized and the membrane-reconstituted state of the protein. The quaternary structure of the n-dodecyl-β-D-maltoside-solubilized state was studied using a combination of

  10. Petrophysical and transport parameters evolution during acid percolation through structurally different limestones

    Science.gov (United States)

    Martinez Perez, Laura; Luquot, Linda

    2017-04-01

    Processes affecting geological media often show complex and unpredictable behavior due to the presence of heterogeneities. This remains problematic when facing contaminant transport problems, in the CO2 storage industry or dealing with the mechanisms underneath natural processes where chemical reactions can be observed during the percolation of rock non-equilibrated fluid (e.g. karst formation, seawater intrusion). To understand the mechanisms taking place in a porous medium as a result of this water-rock interaction, we need to know the flow parameters that control them, and how they evolve with time as a result of that concurrence. This is fundamental to ensure realistic predictions of the behavior of natural systems in response of reactive transport processes. We investigate the coupled influence of structural and hydrodynamic heterogeneities in limestone rock samples tracking its variations during chemical reactions. To do so we use laboratory petrophysical techniques such as helium porosimetry, gas permeability, centrifugue, electrical resistivity and sonic waves measurements to obtain the parameters that characterize flow within rock matrix (porosity, permeability, retention curve and pore size distribution, electrical conductivity, formation factor, cementation index and tortuosity) before and after percolation experiments. We built an experimental setup that allows injection of acid brine into core samples under well controlled conditions, monitor changes in hydrodynamic properties and obtain the chemical composition of the injected solution at different stages. 3D rock images were also acquired before and after the experiments using a micro-CT to locate the alteration processes and perform an acurate analysis of the structural changes. Two limestones with distinct textural classification and thus contrasting transport properties have been used in the laboratory experiments: a crinoid limestone and an oolithic limestone. Core samples dimensions were 1 inch

  11. Moisture harvesting and water transport through specialized micro-structures on the integument of lizards.

    Science.gov (United States)

    Comanns, Philipp; Effertz, Christian; Hischen, Florian; Staudt, Konrad; Böhme, Wolfgang; Baumgartner, Werner

    2011-01-01

    Several lizard species that live in arid areas have developed special abilities to collect water with their bodies' surfaces and to ingest the so collected moisture. This is called rain- or moisture-harvesting. The water can originate from air humidity, fog, dew, rain or even from humid soil. The integument (i.e., the skin plus skin derivatives such as scales) has developed features so that the water spreads and is soaked into a capillary system in between the reptiles' scales. Within this capillary system the water is transported to the mouth where it is ingested. We have investigated three different lizard species which have developed the ability for moisture harvesting independently, viz. the Australian thorny devil (Moloch horridus), the Arabian toadhead agama (Phrynocephalus arabicus) and the Texas horned lizard (Phrynosoma cornutum). All three lizards have a honeycomb like micro ornamentation on the outer surface of the scales and a complex capillary system in between the scales. By investigation of individual scales and by producing and characterising polymer replicas of the reptiles' integuments, we found that the honeycomb like structures render the surface superhydrophilic, most likely by holding a water film physically stable. Furthermore, the condensation of air humidity is improved on this surface by about 100% in comparison to unstructured surfaces. This allows the animals to collect moisture with their entire body surface. The collected water is transported into the capillary system. For Phrynosoma cornutum we found the interesting effect that, in contrast to the other two investigated species, the water flow in the capillary system is not uniform but directed to the mouth. Taken together we found that the micro ornamentation yields a superhydrophilic surface, and the semi-tubular capillaries allow for an efficient passive - and for Phrynosoma directed - transport of water.

  12. Moisture harvesting and water transport through specialized micro-structures on the integument of lizards

    Directory of Open Access Journals (Sweden)

    Philipp Comanns

    2011-04-01

    Full Text Available Several lizard species that live in arid areas have developed special abilities to collect water with their bodies' surfaces and to ingest the so collected moisture. This is called rain- or moisture-harvesting. The water can originate from air humidity, fog, dew, rain or even from humid soil. The integument (i.e., the skin plus skin derivatives such as scales has developed features so that the water spreads and is soaked into a capillary system in between the reptiles' scales. Within this capillary system the water is transported to the mouth where it is ingested. We have investigated three different lizard species which have developed the ability for moisture harvesting independently, viz. the Australian thorny devil (Moloch horridus, the Arabian toadhead agama (Phrynocephalus arabicus and the Texas horned lizard (Phrynosoma cornutum. All three lizards have a honeycomb like micro ornamentation on the outer surface of the scales and a complex capillary system in between the scales. By investigation of individual scales and by producing and characterising polymer replicas of the reptiles' integuments, we found that the honeycomb like structures render the surface superhydrophilic, most likely by holding a water film physically stable. Furthermore, the condensation of air humidity is improved on this surface by about 100% in comparison to unstructured surfaces. This allows the animals to collect moisture with their entire body surface. The collected water is transported into the capillary system. For Phrynosoma cornutum we found the interesting effect that, in contrast to the other two investigated species, the water flow in the capillary system is not uniform but directed to the mouth. Taken together we found that the micro ornamentation yields a superhydrophilic surface, and the semi-tubular capillaries allow for an efficient passive – and for Phrynosoma directed – transport of water.

  13. Structure and damping of toroidal drift waves (and their implications for anomalous transport)

    International Nuclear Information System (INIS)

    Taylor, J.B.; Connor, J.; Wilson, H.R.

    1993-05-01

    The conventional theory of high-n toroidal drift waves, based on the ballooning representation, indicates that shear-damping is generally reduced in a torus compared to its plane-slab value. It therefore describes the most unstable class of toroidal drift waves. However, modes of this type occur only i f the diamagnetic frequency ω*(r) has a maximum in r, and they affect only a small fraction, Ο(1/n l/2 ), of the plasma radius around this maximum. Consequently they may produce little anomalous transport. In the present work we show that, within the ballooning description, there is another class of toroidal drift waves with very different properties to the conventional ones. The new modes have greater shear-damping (closer to that in a plane-slab) than the conventional ones and so have a higher instability threshold. However, they occur for any plasma profile and at all radii, and they have larger radial extent. Consequently they may produce much greater anomalous transport than the possibly benign conventional modes. This suggests a picture of anomalous transport in which the plasma profile is determined by marginal stability, but marginal to the new class of modes not to the conventional ones. This might explain why marginally stable profiles calculated for drift waves with plane-slab damping sometimes agree well with the profiles in toroidal experiments. It is also consistent with the fact that experimental profiles may exceed conventional toroidal instability thresholds. The new modes may also be related to the tong radial structures which appear in some plasma simulations and in experiments

  14. Moisture harvesting and water transport through specialized micro-structures on the integument of lizards

    Science.gov (United States)

    Comanns, Philipp; Effertz, Christian; Hischen, Florian; Staudt, Konrad; Böhme, Wolfgang

    2011-01-01

    Summary Several lizard species that live in arid areas have developed special abilities to collect water with their bodies' surfaces and to ingest the so collected moisture. This is called rain- or moisture-harvesting. The water can originate from air humidity, fog, dew, rain or even from humid soil. The integument (i.e., the skin plus skin derivatives such as scales) has developed features so that the water spreads and is soaked into a capillary system in between the reptiles' scales. Within this capillary system the water is transported to the mouth where it is ingested. We have investigated three different lizard species which have developed the ability for moisture harvesting independently, viz. the Australian thorny devil (Moloch horridus), the Arabian toadhead agama (Phrynocephalus arabicus) and the Texas horned lizard (Phrynosoma cornutum). All three lizards have a honeycomb like micro ornamentation on the outer surface of the scales and a complex capillary system in between the scales. By investigation of individual scales and by producing and characterising polymer replicas of the reptiles' integuments, we found that the honeycomb like structures render the surface superhydrophilic, most likely by holding a water film physically stable. Furthermore, the condensation of air humidity is improved on this surface by about 100% in comparison to unstructured surfaces. This allows the animals to collect moisture with their entire body surface. The collected water is transported into the capillary system. For Phrynosoma cornutum we found the interesting effect that, in contrast to the other two investigated species, the water flow in the capillary system is not uniform but directed to the mouth. Taken together we found that the micro ornamentation yields a superhydrophilic surface, and the semi-tubular capillaries allow for an efficient passive – and for Phrynosoma directed – transport of water. PMID:21977432

  15. Investigations of the role of nonlinear couplings in structure formation and transport regulation in plasma turbulence

    Science.gov (United States)

    Holland, Christopher George

    Studies of nonlinear couplings and dynamics in plasma turbulence are presented. Particular areas of focus are analytic studies of coherent structure formation in electron temperature gradient turbulence, measurement of nonlinear energy transfer in simulations of plasma turbulence, and bispectral analysis of experimental and computational data. The motivation for these works has been to develop and expand the existing theories of plasma transport, and verify the nonlinear predictions of those theories in simulation and experiment. In Chapter II, we study electromagnetic secondary instabilities of electron temperature gradient turbulence. The growth rate for zonal flow generation via modulational instability of electromagnetic ETG turbulence is calculated, as well as that for zonal (magnetic) field generation. In Chapter III, the stability and saturation of streamers in ETG turbulence is considered, and shown to depend sensitively upon geometry and the damping rates of the Kelvin-Helmholtz mode. Requirements for a credible theory of streamer transport are presented. In addition, a self-consistent model for interactions between ETG and ITG (ion temperature gradient) turbulence is presented. In Chapter IV, the nonlinear transfer of kinetic and internal energy is measured in simulations of plasma turbulence. The regulation of turbulence by radial decorrelation due to zonal flows and generation of zonal flows via the Reynolds stress are explicitly demonstrated, and shown to be symmetric facets of a single nonlinear process. Novel nonlinear saturation mechanisms for zonal flows are discussed. In Chapter V, measurements of fluctuation bicoherence in the edge of the DIII-D tokamak are presented. It is shown that the bicoherence increases transiently before a L-H transition, and decays to its initial value after the barrier has formed. The increase in bicoherence is localized to the region where the transport barrier forms, and shows strong coupling between well

  16. Structure-activity relationships for serotonin transporter and dopamine receptor selectivity.

    Science.gov (United States)

    Agatonovic-Kustrin, Snezana; Davies, Paul; Turner, Joseph V

    2009-05-01

    Antipsychotic medications have a diverse pharmacology with affinity for serotonergic, dopaminergic, adrenergic, histaminergic and cholinergic receptors. Their clinical use now also includes the treatment of mood disorders, thought to be mediated by serotonergic receptor activity. The aim of our study was to characterise the molecular properties of antipsychotic agents, and to develop a model that would indicate molecular specificity for the dopamine (D(2)) receptor and the serotonin (5-HT) transporter. Back-propagation artificial neural networks (ANNs) were trained on a dataset of 47 ligands categorically assigned antidepressant or antipsychotic utility. The structure of each compound was encoded with 63 calculated molecular descriptors. ANN parameters including hidden neurons and input descriptors were optimised based on sensitivity analyses, with optimum models containing between four and 14 descriptors. Predicted binding preferences were in excellent agreement with clinical antipsychotic or antidepressant utility. Validated models were further tested by use of an external prediction set of five drugs with unknown mechanism of action. The SAR models developed revealed the importance of simple molecular characteristics for differential binding to the D(2) receptor and the 5-HT transporter. These included molecular size and shape, solubility parameters, hydrogen donating potential, electrostatic parameters, stereochemistry and presence of nitrogen. The developed models and techniques employed are expected to be useful in the rational design of future therapeutic agents.

  17. Temperature-tunable wettability on a bioinspired structured graphene surface for fog collection and unidirectional transport.

    Science.gov (United States)

    Song, Yun-Yun; Liu, Yan; Jiang, Hao-Bo; Li, Shu-Yi; Kaya, Cigdem; Stegmaier, Thomas; Han, Zhi-Wu; Ren, Lu-Quan

    2018-02-22

    We designed a type of smart bioinspired wettable surface with tip-shaped patterns by combining polydimethylsiloxane (PDMS) and graphene (PDMS/G). The laser etched porous graphene surface can produce an obvious wettability change between 200 °C and 0 °C due to a change in aperture size and chemical components. We demonstrate that the cooperation of the geometrical structure and the controllable wettability play an important role in water gathering, and surfaces with tip-shaped wettability patterns can quickly drive tiny water droplets toward more wettable regions, so making a great contribution to the improvement of water collection efficiency. In addition, due to the effective cooperation between super hydrophobic and hydrophilic regions of the special tip-shaped pattern, unidirectional water transport on the 200 °C heated PDMS/G surface can be realized. This study offers a novel insight into the design of temperature-tunable materials with interphase wettability that may enhance fog collection efficiency in engineering liquid harvesting equipment, and realize unidirectional liquid transport, which could potentially be applied to the realms of microfluidics, medical devices and condenser design.

  18. Review of current results in computational studies of hydrocarbon phase and transport properties in nanoporous structures

    Science.gov (United States)

    Stroev, N.; Myasnikov, A.

    2017-12-01

    This article provides a general overview of the main simulation results on the behavior of gas/liquids under confinement conditions, namely hydrocarbons in shale formations, and current understanding of such phenomena. In addition to the key effects, which different research groups obtained and which have to be taken into account during the creation of reservoir simulation software, a list of methods is briefly covered. Comprehensive understanding of both fluid phase equilibrium and transport properties in nanoscale structures is of great importance for many scientific and technical disciplines, especially for petroleum engineering considering the hydrocarbon behavior in complex shale formations, the development of which increases with time. Recent estimations show that a significant amount of resources are trapped inside organic matter and clays, which has extremely low permeability and yet great economic potential. The issue is not only of practical importance, as the existing conventional approaches by definition are unable to capture complicated physics phenomena for effective results, but it is also of fundamental value. The research of the processes connected with such deposits is necessary for both evaluations of petroleum reservoir deposits and hydrodynamic simulators. That is why the review is divided into two major parts—equilibrium states of hydrocarbons and their transport properties in highly confined conditions.

  19. Evolution of structural, magnetic and transport behavior by Pr doping in SrRuO3

    Science.gov (United States)

    Gupta, Renu; Pramanik, A. K.

    2018-05-01

    Here we report the evolution of structural, magnetic and transport behavior in perovskite based ruthenates Sr1-xPrxRuO3 (x=0.0 and 0.1). The substitution of Pr on Sr site retains orthorhombic structure while we find the slight change in structural parameters. The SrRuO3 has itinerant ferromagnet (FM) type nature of ordering temperature ˜160 K and below the transition temperature showing large bifurcation between ZFC and FC magnetization. By Pr doping, the magnetic moment decreases with decreasing bifurcation of ZFC and FC. The ZFC data show three distinct peaks (three transition temperature; TM1,TM2 and TM3). The magnetization study of both the samples, at high temperature fitted with modified CWL showing the decreasing value of ordering temperature by Pr doping matches close to TM2. The low-temperature isothermal magnetization M (H) data show that the high field saturation moment has decreased by Pr doping. The Arrott plot gives spontaneous magnetization (Ms) which is also decreased by Pr substitution. Evolution of Rhodes-Wohlfarth ratio value increases, which suggests that FM in this system evolves toward the more itinerant type by Pr doping. The electrical resistivity ρ(T) of both the samples show metallic behavior, in the all temperature range and ρ(T) increases by Pr doping while around below 45 K, the resistivity decreases by Pr doping and this crossing temperature also matches with ZFC data.

  20. Effects of molecular structure on microscopic heat transport in chain polymer liquids

    International Nuclear Information System (INIS)

    Matsubara, Hiroki; Kikugawa, Gota; Ohara, Taku; Bessho, Takeshi; Yamashita, Seiji

    2015-01-01

    In this paper, we discuss the molecular mechanism of the heat conduction in a liquid, based on nonequilibrium molecular dynamics simulations of a systematic series of linear- and branched alkane liquids, as a continuation of our previous study on linear alkane [T. Ohara et al., J. Chem. Phys. 135, 034507 (2011)]. The thermal conductivities for these alkanes in a saturated liquid state at the same reduced temperature (0.7T c ) obtained from the simulations are compared in relation to the structural difference of the liquids. In order to connect the thermal energy transport characteristics with molecular structures, we introduce the new concept of the interatomic path of heat transfer (atomistic heat path, AHP), which is defined for each type of inter- and intramolecular interaction. It is found that the efficiency of intermolecular AHP is sensitive to the structure of the first neighbor shell, whereas that of intramolecular AHP is similar for different alkane species. The dependence of thermal conductivity on different lengths of the main and side chain can be understood from the natures of these inter- and intramolecular AHPs

  1. Effects of molecular structure on microscopic heat transport in chain polymer liquids

    Energy Technology Data Exchange (ETDEWEB)

    Matsubara, Hiroki, E-mail: matsubara@microheat.ifs.tohoku.ac.jp; Kikugawa, Gota; Ohara, Taku [Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Bessho, Takeshi; Yamashita, Seiji [Higashifuji Technical Center, Toyota Motor Corporation, 1200 Mishuku, Susono, Shizuoka 410-1193 (Japan)

    2015-04-28

    In this paper, we discuss the molecular mechanism of the heat conduction in a liquid, based on nonequilibrium molecular dynamics simulations of a systematic series of linear- and branched alkane liquids, as a continuation of our previous study on linear alkane [T. Ohara et al., J. Chem. Phys. 135, 034507 (2011)]. The thermal conductivities for these alkanes in a saturated liquid state at the same reduced temperature (0.7T{sub c}) obtained from the simulations are compared in relation to the structural difference of the liquids. In order to connect the thermal energy transport characteristics with molecular structures, we introduce the new concept of the interatomic path of heat transfer (atomistic heat path, AHP), which is defined for each type of inter- and intramolecular interaction. It is found that the efficiency of intermolecular AHP is sensitive to the structure of the first neighbor shell, whereas that of intramolecular AHP is similar for different alkane species. The dependence of thermal conductivity on different lengths of the main and side chain can be understood from the natures of these inter- and intramolecular AHPs.

  2. Modeling of radiation heat transport in complex ladder-like structures placed in rectangular enclosures

    International Nuclear Information System (INIS)

    Unal, C.; Bohl, W.R.; Pasamehmetoglu, K.O.

    1999-01-01

    Complex ladder-like structures recently have been considered as the target design for accelerator applications. The decay heat, during a postulated beyond design-basis loss-of-coolant accident in the target where all normal and emergency cooling fails, is removed mainly by radiation heat transfer. Modeling of the radiation transport in complex ladder-like structures has several challenges and limitations when the standard net-radiation model is used. This paper proposes a simplified lumped, or 'hot-rung' model, that considers the worst elements and utilizes the standard net-radiation method. The net-radiation model would under-predict structure temperatures if surfaces were subject to non-uniform radiosity. The proposed model was assessed to suggest corrections to account for the non-uniform radiosity. The non-uniform radiosity effect causes the proposed hot-rung model to under-predict the center-rung temperatures by ∼4-74 C when all parametrics, including temperatures up to 1500 C, were considered. These temperatures are small. The proposed model predicted that an important effect of decreasing the emissivity was smoothing of non-isothermal effects. The radiosity effects are more pronounced when there are strong temperature gradients. Uniform rung temperatures tend to decrease the radiosity effects. We concluded that a relatively simple model that is conservative with respect to radiosity effects could be developed. (orig.)

  3. Structural transformations, water incorporation and transport properties of tin-substituted barium indate

    Science.gov (United States)

    Cichy, Kacper; Skubida, Wojciech; Świerczek, Konrad

    2018-06-01

    Incorporation of water into tin-substituted BaIn1-xSnxO3-δ (x = 0.1-0.3) is shown to influence crystal structure at room temperature, structural transformations at high temperatures and ionic transport properties of the materials. Increasing tin content stabilizes oxygen vacancy-disordered perovskite-type phase, which together with large changes of the unit cell volume occurring during hydration and dehydration processes, result in a complex structural behavior, as documented by high-temperature X-ray diffraction and thermogravimetric studies. Impedance spectroscopy measurements at elevated temperatures (350-800 °C) revealed very high proton conductivity in BaIn.8Sn.2O3-δ, exceeding 1.1·10-3 S cm-1 at 500 °C, with high values of the transference number in wet air. At the same time, relaxation kinetics of the electrical conductivity showed a monotonous nature, which indicates negligible component of the electronic hole conductivity in the hydrated material. The oxides are extremely moisture-sensitive, which results in a significant mechanical stability problems, affecting possibility to prepare electrolyte membranes.

  4. An optimized ultra-fine energy group structure for neutron transport calculations

    International Nuclear Information System (INIS)

    Huria, Harish; Ouisloumen, Mohamed

    2008-01-01

    This paper describes an optimized energy group structure that was developed for neutron transport calculations in lattices using the Westinghouse lattice physics code PARAGON. The currently used 70-energy group structure results in significant discrepancies when the predictions are compared with those from the continuous energy Monte Carlo methods. The main source of the differences is the approximations employed in the resonance self-shielding methodology. This, in turn, leads to ambiguous adjustments in the resonance range cross-sections. The main goal of developing this group structure was to bypass the self-shielding methodology altogether thereby reducing the neutronic calculation errors. The proposed optimized energy mesh has 6064 points with 5877 points spanning the resonance range. The group boundaries in the resonance range were selected so that the micro group cross-sections matched reasonably well with those derived from reaction tallies of MCNP for a number of resonance absorbers of interest in reactor lattices. At the same time, however, the fast and thermal energy range boundaries were also adjusted to match the MCNP reaction rates in the relevant ranges. The resulting multi-group library was used to obtain eigenvalues for a wide variety of reactor lattice numerical benchmarks and also the Doppler reactivity defect benchmarks to establish its adequacy. (authors)

  5. Magnetic tunnel structures: Transport properties controlled by bias, magnetic field, and microwave and optical radiation

    International Nuclear Information System (INIS)

    Volkov, N.V.; Eremin, E.V.; Tarasov, A.S.; Rautskii, M.V.; Varnakov, S.N.; Ovchinnikov, S.G.; Patrin, G.S.

    2012-01-01

    Different phenomena that give rise to a spin-polarized current in some systems with magnetic tunnel junctions are considered. In a manganite-based magnetic tunnel structure in CIP geometry, the effect of current-channel switching was observed, which causes bias-driven magnetoresistance, rf rectification, and the photoelectric effect. The second system under study, ferromagnetic/insulator/semiconductor, exhibits the features of the transport properties in CIP geometry that are also related to the current-channel switching effect. The described properties can be controlled by a bias, a magnetic field, and optical radiation. At last, the third system under consideration is a cooperative assembly of magnetic tunnel junctions. This system exhibits tunnel magnetoresistance and the magnetic-field-driven microwave detection effect.

  6. Model of Optimal Cargo Transport Structure by Full Container Ship on Predefined Sailing Route

    Directory of Open Access Journals (Sweden)

    Serđo Kos

    2004-01-01

    Full Text Available This paper presents the mathematical model for solving theproblem of defining optimal cargo transport structure, occurringwhen, on a predefined sailing route, adequate number ofcontainers of various types, masses and sizes, possibly includingRO!RO cargo, is to be selected, i.e., a "container lot" is to beestablished in loading ports with the aim of gaining maximumship profit and, at the same time, of exploiting useful load andtransport capacity of container ship as much as possible. Theimplementation of the proposed model enables considerableincrease in the efficiency of container ship operations. Themodel was tested using a numerical example with real data.The applied post-optimal analysis examines the influence ofchange in some values of the mathematical model on the resultingoptimal program.

  7. Effect of backbone structure on charge transport along isolated conjugated polymer chains

    International Nuclear Information System (INIS)

    Siebbeles, Laurens D.A.; Grozema, Ferdinand C.; Haas, Matthijs P. de; Warman, John M.

    2005-01-01

    Fast charge transport in conjugated polymers is essential for their application in opto-electronic devices. In the present paper, measurements and theoretical modeling of the mobility of excess charges along isolated chains of conjugated polymers in dilute solution are presented. Charge carriers were produced by irradiation of the polymer solution with 3-MeV electrons from a Van de Graaff accelerator. The mobilities of the charges along the polymer chains were obtained from time-resolved microwave conductivity measurements. The mobilities are strongly dependent on the chemical nature of the polymer backbone. Comparison of the experimental data with results from ab initio quantum mechanical calculations shows that the measured mobilities are strongly limited by torsional disorder, chemical defects and chain ends. Improvement of the structure of polymer backbones is therefore expected to significantly enhance the performance of these materials in 'plastic electronics'

  8. Data structures and language elements for automated transport calculations for neutron and gamma radiation

    International Nuclear Information System (INIS)

    Rexer, G.

    1978-12-01

    Computer-aided design of nuclear shielding and irradiation facilities is characterized by studies of different design variants in order to determine which facilities are safe and still economicol. The design engineer has a very complex task including the formulation of calculation models, data linking of programs and data, and the management of large data stores. Integrated modular program systems with centralized module and data management make it possible to treat these problems in a more simplified and automatic manner. The paper describes a system of this type for the field of radiation transport and radiation shielding. The basis is the modular system RSYST II which has a dynamic hierarchical scheme for the structuring of problem data in a central data base. (orig./RW) [de

  9. The Small-Angle Neutron Scattering Data Analysis of the Phospholipid Transport Nanosystem Structure

    Science.gov (United States)

    Zemlyanaya, E. V.; Kiselev, M. A.; Zhabitskaya, E. I.; Aksenov, V. L.; Ipatova, O. M.; Ivankov, O. I.

    2018-05-01

    The small-angle neutron scattering technique (SANS) is employed for investigation of structure of the phospholipid transport nanosystem (PTNS) elaborated in the V.N.Orekhovich Institute of Biomedical Chemistry (Moscow, Russia). The SANS spectra have been measured at the YuMO small-angle spectrometer of IBR-2 reactor (Joint Institute of Nuclear Research, Dubna, Russia). Basic characteristics of polydispersed population of PTNS unilamellar vesicles (average radius of vesicles, polydispersity, thickness of membrane, etc.) have been determined in three cases of the PTNS concentrations in D2O: 5%, 10%, and 25%. Numerical analysis is based on the separated form factors method (SFF). The results are discussed in comparison with the results of analysis of the small-angle X-ray scattering spectra collected at the Kurchatov Synchrotron Radiation Source of the National Research Center “Kurchatov Institute” (Moscow, Russia).

  10. In-Plane Magnetic Field Effect on the Transport Properties in a Quasi-3D Quantum Well Structure

    International Nuclear Information System (INIS)

    Brooks, J.; Clark, R.; Lumpkin, N.; O'Brien, J.; Reno, J.; Simmons, J.; Wang, Z.; Zhang, B.

    1999-01-01

    The transport properties of a quasi-three-dimensional, 200 layer quantum well structure are investigated at integer filling in the quantum Hall state. We find that the transverse magnetoresistance R xx , the Hall resistance R xy , and the vertical resistance R zz all follow a similar behavior with both temperature and in-plane magnetic field. A general feature of the influence of increasing in-plane field B in is that the Hall conductance quantization first improves, but above a characteristic value B C in , the quantization is systematically removed. We consider the interplay of the chid edge state transport and the bulk (quantum Hall) transport properties. This mechanism may arise from the competition of the cyclotron energy with the superlattice band structure energies. A comparison of the resuIts with existing theories of the chiral edge state transport with in-plane field is also discussed

  11. Structured triglyceride vehicles for oral delivery of halofantrine: examination of intestinal lymphatic transport and bioavailability in conscious rats

    DEFF Research Database (Denmark)

    Holm, René; Porter, Christopher J H; Müllertz, Anette

    2002-01-01

    PURPOSE: To compare the influence of triglyceride vehicle intramolecular structure on the intestinal lymphatic transport and systemic absorption of halofantrine in conscious rats. METHODS: Conscious, lymph cannulated and nonlymph cannulated rats were dosed orally with three structurally different...... triglycerides; sunflower oil, and two structured triglycerides containing different proportion and position of medium-(M) and long-chain (L) fatty acids on the glycerol backbone. The two structured triglycerides were abbreviated MLM and LML to reflect the structural position on the glycerol. The concentration...... animals, and this was most pronounced for the animals dosed with the structured triglycerides. CONCLUSIONS: Using MLM as vehicle increases the portal absorption of halofantrine and results in similar lymphatic transport levels when compared to sunflower oil. Total absorption when assessed as absorption...

  12. Theory and computer simulation of structure, transport, and flow of fluid in micropores

    International Nuclear Information System (INIS)

    Davis, H.T.; Bitsanis, I.; Vanderlick, T.K.; Tirrell, M.V.

    1987-01-01

    An overview is given of recent progress made in our laboratory on this topic. The density profiles of fluid in micropores are found by solving numerically an approximate Yvon-Born-Green equation. A related local average density model (LADM) allows prediction of transport and flow in inhomogeneous fluids from density profiles. A rigorous extension of the Enskog theory of transport is also outlined. Simple results of this general approach for the tracer diffusion and Couette flow between planar micropore walls are presented. Equilibrium and flow (molecular dynamics) simulations are compared with the theoretical predictions. Simulated density profiles of the micropore fluid exhibit substantial fluid layering. The number and sharpness of fluid layers depend sensitively on the pore width. The solvation force and the pore average density and diffusivity are oscillating functions of the pore width. The theoretical predictions for these quantities agree qualitatively with the simulation results. The flow simulations indicate that the flow does not affect the fluid structure and diffusivity even at extremely high shear rates (10/sup 10/s/sup -1/). The fluid structure induces large deviations of the shear stress and the effective viscosity from the bulk fluid values. The flow velocity profiles are correlated with the density profiles and differ from those of a bulk fluid. The LADM and extended Enskog theory predictions for the velocity profiles and the pore average diffusivity agree very well with each other and with the simulation results. The LADM predictions for the shear stress and the effective viscosity agrees fairly well with the simulation results

  13. Characterization of dextran-grafted hydrophobic charge-induction resins: Structural properties, protein adsorption and transport.

    Science.gov (United States)

    Liu, Tao; Angelo, James M; Lin, Dong-Qiang; Lenhoff, Abraham M; Yao, Shan-Jing

    2017-09-29

    The structural and functional properties of a series of dextran-grafted and non-grafted hydrophobic charge-induction chromatographic (HCIC) agarose resins were characterized by macroscopic and microscopic techniques. The effects of dextran grafting and mobile phase conditions on the pore dimensions of the resins were investigated with inverse size exclusion chromatography (ISEC). A significantly lower pore radius (17.6nm) was found for dextran-grafted than non-grafted resins (29.5nm), but increased salt concentration would narrow the gap between the respective pore radii. Two proteins, human immunoglobulin G (hIgG) and bovine serum albumin (BSA), were used to examine the effect of protein characteristics. The results of adsorption isotherms showed that the dextran-grafted resin with high ligand density had substantially higher adsorption capacity and enhanced the salt-tolerance property for hIgG, but displayed a significantly smaller benefit for BSA adsorption. Confocal laser scanning microscopy (CLSM) showed that hIgG presented more diffuse and slower moving adsorption front compared to BSA during uptake into the resins because of the selective binding of multiple species from polyclonal IgG; polymer-grafting with high ligand density could enhance the rate of hIgG transport in the dextran-grafted resins without salt addition, but not for the case with high salt and BSA. The results indicate that microscopic analysis using ISEC and CLSM is useful to improve the mechanistic understanding of resin structure and of critical functional parameters involving protein adsorption and transport, which would guide the rational design of new resins and processes. Copyright © 2017. Published by Elsevier B.V.

  14. Evaluation of ternary blended cements for use in transportation concrete structures

    Science.gov (United States)

    Gilliland, Amanda Louise

    This thesis investigates the use of ternary blended cement concrete mixtures for transportation structures. The study documents technical properties of three concrete mixtures used in federally funded transportation projects in Utah, Kansas, and Michigan that used ternary blended cement concrete mixtures. Data were also collected from laboratory trial batches of ternary blended cement concrete mixtures with mixture designs similar to those of the field projects. The study presents the technical, economic, and environmental advantages of ternary blended cement mixtures. Different barriers of implementation for using ternary blended cement concrete mixtures in transportation projects are addressed. It was concluded that there are no technical, economic, or environmental barriers that exist when using most ternary blended cement concrete mixtures. The technical performance of the ternary blended concrete mixtures that were studied was always better than ordinary portland cement concrete mixtures. The ternary blended cements showed increased durability against chloride ion penetration, alkali silica reaction, and reaction to sulfates. These blends also had less linear shrinkage than ordinary portland cement concrete and met all strength requirements. The increased durability would likely reduce life cycle costs associated with concrete pavement and concrete bridge decks. The initial cost of ternary mixtures can be higher or lower than ordinary portland cement, depending on the supplementary cementitious materials used. Ternary blended cement concrete mixtures produce less carbon dioxide emissions than ordinary portland cement mixtures. This reduces the carbon footprint of construction projects. The barriers associated with implementing ternary blended cement concrete for transportation projects are not significant. Supplying fly ash returns any investment costs for the ready mix plant, including silos and other associated equipment. State specifications can make

  15. Interplay between subsurface structural heterogeneity and multi-species reactive transport in human health risk predictions

    Science.gov (United States)

    Henri, C.; Fernandez-Garcia, D.; de Barros, F.

    2013-12-01

    The increasing presence of toxic chemicals released in the subsurface has led to a rapid growth of social concerns and to the need to develop and employ models that can predict the impact of groundwater contamination in human health under uncertainty. Monitored natural attenuation is a common remediation action in many contamination cases and represents an attractive decontamination method. However, natural attenuation can lead to the production of subspecies of distinct toxicity that may pose challenges in pollution management strategies. The actual threat that these contaminants pose to human health and ecosystems greatly depends on the interplay between the complexity of the geological system and the toxicity of the pollutants and their byproducts. In this work, we examine the interplay between multispecies reactive transport and the heterogeneous structure of the contaminated aquifer on human health risk predictions. The structure and organization of hydraulic properties of the aquifer can lead to preferential flow channels and fast contamination pathways. Early travel times, associated to channeling effects, are intuitively perceived as an indicator for high risk. However, in the case of multi-species systems, early travel times may also lead a limited production of daughter species that may contain higher toxicity as in the case of chlorinated compounds. In this work, we model a Perchloroethylene (PCE) contamination problem followed by the sequential first-order production/biodegradation of its daughter species Trichloroethylene (TCE), Dichloroethylene (DCE) and Vinyl Chlorine (VC). For this specific case, VC is known to be a highly toxic contaminant. By performing numerical experiments, we evaluate transport for two distinct three-dimensional aquifer structures. First, a multi-Gaussian hydraulic conductivity field and secondly, a geostatistically equivalent connected field. These two heterogeneity structures will provide two distinct ranges of mean travel

  16. Charge transport properties of metal/metal-phthalocyanine/n-Si structures

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Afzal

    2010-12-16

    In present work the charge transport properties of metal/metal-phthalocyanine/n-Si structures with low (N{sub D} = 4 x 10{sup 14} cm{sup -3}), medium (N{sub D}=1 x 10{sup 16} cm{sup -3}) and high (N{sub D}=2 x 10{sup 19} cm{sup -3}) doped n-Si as injecting electrode and the effect of air exposure of the vacuum evaporated metal-phthalocyanine film in these structures is investigated. The results obtained through temperature dependent electrical characterizations of the structures suggest that in terms of dominant conduction mechanism in the corresponding devices Schottky-type conduction mechanism dominates the charge transport in low-bias region of these devices up to 0.8 V, 0.302 V and 0.15 V in case of low, medium and high doped n-Silicon devices. For higher voltages, in each case of devices, the space-charge-limited conduction, controlled by exponential trap distribution, is found to dominate the charge transport properties of the devices. The interface density of states at the CuPc/n-Si interface of the devices are found to be lower in case of lower work function difference at the CuPc/n-Si interface of the devices. The results also suggest that the work function difference at the CuPc/n-Si interface of these devices causes charge transfer at the interface and these phenomena results in formation of interface dipole. The width of the Schottky depletion region at the CuPc/n-Si interface of these devices is found to be higher with higher work function difference at the interface. The investigation of charge transport properties of Al/ZnPc/medium n-Si and Au/ZnPc/ medium n-Si devices suggest that the Schottky depletion region formed at the ZnPc/n-Si interface of these devices determines the charge transport in the low-bias region of both the devices. Therefore, the Schottky-type (injection limited) and the space-charge-limited (bulk limited) conduction are observed in the low and the high bias regions of these devices, respectively. The determined width of the

  17. Study of structure of HTS coated conductor with ferromagnetic substrate having low AC transport current loss using FEM

    International Nuclear Information System (INIS)

    Miyagi, D.; Amadutsumi, Y.; Takahashi, N.; Tsukamoto, O.

    2007-01-01

    AC transport current losses of coated conductors with ferromagnetic substrates are higher than the loss calculated by the Norris equation. In order to reduce the AC transport current loss we propose in this paper a structure of the coated conductor that has wider substrate than the SC (Superconducting) layer. The current distribution and AC loss of the proposed model are analyzed by means of FEM. The AC transport current loss is reduced due to the change of current density distribution near the edge of SC layer, consequent to the high value of magnetic permeability of the ferromagnetic substrate, that is wider than the SC layer

  18. Spin-polarized transport in manganite-based magnetic nano structures

    International Nuclear Information System (INIS)

    Granada, Mara

    2007-01-01

    Giant magnetoresistance (G M R) and tunnel magnetoresistance are spin polarized transport phenomena which are observed in magnetic multilayers.They consist in a large variation of the electrical resistivity of the system depending on whether the magnetizations of the magnetic layers are aligned parallel or anti-parallel to each other. In order to be able to align the magnetic layers by means of an external magnetic field, they must not be strongly ferromagnetically coupled.The extrinsic magnetoresistance effects in magnetic multilayers, either G M R in the case of a metallic spacer, or T M R in the case of an insulating spacer, are observed at low magnetic fields, which makes these phenomena interesting for technological applications.We studied the possibility of using the ferromagnetic manganite La 0 ,75Sr 0 ,25MnO 3 (L S M O) in magneto resistive devices, with different materials as a spacer layer.As the main result of this work, we report G M R and T M R measurements in L S M O/LaNiO 3 /L S M O and L S M O/CaMnO 3 /L S M O tri layers, respectively, observed for the first time in these systems.This work included the deposition of films and multilayers by sputtering, the structural characterization of the samples and the study of their magnetic and electric transport properties.Our main interest was the study of G M R in L S M O/LaNiO 3 /L S M O tri layers.It was necessary to firstly characterize the magnetic coupling of L S M O layers through the L N O spacer. After that, we performed electric transport measurements with the current in the plane of the samples.We measured a G M R contribution of ∼ 0,55 % at T = 83 K.We designed a procedure for patterning the samples by e-beam lithography for electric transport measurements with the current perpendicular to the plane. We also performed the study of L S M O/CaMnO 3 /L S M O tri layers with an insulating spacer.We studied the magnetic coupling, as in the previous case.Then we fabricated a tunnel junction for

  19. Mesoscale Eddies in the Northwestern Pacific Ocean: Three-Dimensional Eddy Structures and Heat/Salt Transports

    Science.gov (United States)

    Dong, Di; Brandt, Peter; Chang, Ping; Schütte, Florian; Yang, Xiaofeng; Yan, Jinhui; Zeng, Jisheng

    2017-12-01

    The region encompassing the Kuroshio Extension (KE) in the Northwestern Pacific Ocean (25°N-45°N and 130°E-180°E) is one of the most eddy-energetic regions of the global ocean. The three-dimensional structures and transports of mesoscale eddies in this region are comprehensively investigated by combined use of satellite data and Argo profiles. With the allocation of Argo profiles inside detected eddies, the spatial variations of structures of eddy temperature and salinity anomalies are analyzed. The results show that eddies predominantly have subsurface (near-surface) intensified temperature and salinity anomalies south (north) of the KE jet, which is related to different background stratifications between these regions. A new method based on eddy trajectories and the inferred three-dimensional eddy structures is proposed to estimate heat and salt transports by eddy movements in a Lagrangian framework. Spatial distributions of eddy transports are presented over the vicinity of the KE for the first time. The magnitude of eddy-induced meridional heat (freshwater volume) transport is on the order of 0.01 PW (103 m3/s). The eddy heat transport divergence results in an oceanic heat loss south and heat gain north of the KE, thereby reinforcing and counteracting the oceanic heat loss from air-sea fluxes south and north of the KE jet, respectively. It also suggests a poleward heat transport across the KE jet due to eddy propagation.

  20. Mach-Like Structure in a Patronic-Hadronic Transport Model at RHIC Energies

    International Nuclear Information System (INIS)

    Ma, Y.G.; Ma, G.L.; Zhang, S.

    2008-01-01

    Recent RHIC experimental results indicated an exotic partonic matter may be created in central Au + Au collisions at dollars sqrt (s ( NN))dollars =200 GeV. When a parton with high transverse momentum (jet) passes through the new matter, jet will quench. The lost energy will be redistributed into the medium. Experimentally the soft scattered particles which carry the lost energy have been reconstructed via di-hadron angular correlations of charged particles and a hump structure on away side in di-hadron $ Delta phi$ correlation has been observed in central Au + Au collisions [1,2]. Some interpretations, such as Mach-cone shock wave and gluon Cherenkov-like radiation mechanism etc, have been proposed to explain the splitting behavior of the away side peaks. However, quantitative understanding of the experimental observation has yet to be established. In this work, we use a multi-phase transport (AMPT) model to make a detailed simulation for di-hadron or tri-hadron azimuthal correlation for central Au + Au collisions at dollars sqrt(s ( NN)) dollars =200 GeV. The hump structure on away side (we called Mach-like structure later) in the di-hadron and tri-hadron azimuthal correlations has been observed [3,4,5]. Furthermore, the time evolution of Mach-like structure is presented [6]. With the increasing of the lifetime of partonic matter, Mach-like structure develops by strong parton cascade process. Not only the splitting parameter but also the number of associated hadrons (dollarsN ( h) (assoc)dollars) increases with the lifetime of partonic matter and partonic interaction cross section. Both the explosion of dollarsN ( h) (assoc)dollars following the formation of Mach-like structure and the corresponding results of three-particle correlation support that a partonic Mach-like behavior can be produced by a collective coupling of partons because of the strong parton cascade mechanism. Therefore, the studies about Mach-like structure may give us some critical information

  1. Electronic structure and quantum transport properties of metallic and semiconducting nanowires

    Science.gov (United States)

    Simbeck, Adam J.

    The future of the semiconductor industry hinges upon new developments to combat the scaling issues that currently afflict two main chip components: transistors and interconnects. For transistors this means investigating suitable materials to replace silicon for both the insulating gate and the semiconducting channel in order to maintain device performance with decreasing size. For interconnects this equates to overcoming the challenges associated with copper when the wire dimensions approach the confinement limit, as well as continuing to develop low-k dielectric materials that can assure minimal cross-talk between lines. In addition, such challenges make it increasingly clear that device design must move from a top-down to a bottom-up approach in which the desired electronic characteristics are tailored from first-principles. It is with such fundamental hurdles in mind that ab initio calculations on the electronic and quantum transport properties of nanoscale metallic and semiconducting wires have been performed. More specifically, this study seeks to elaborate on the role played by confinement, contacts, dielectric environment, edge decoration, and defects in altering the electronic and transport characteristics of such systems. As experiments continue to achieve better control over the synthesis and design of nanowires, these results are expected to become increasingly more important for not only the interpretation of electronic and transport trends, but also in engineering the electronic structure of nanowires for the needs of the devices of the future. For the metallic atomic wires, the quantum transport properties are first investigated by considering finite, single-atom chains of aluminum, copper, gold, and silver sandwiched between gold contacts. Non-equilibrium Green's function based transport calculations reveal that even in the presence of the contact the conductivity of atomic-scale aluminum is greater than that of the other metals considered. This is

  2. Transport in bilayer and trilayer graphene: band gap engineering and band structure tuning

    Science.gov (United States)

    Zhu, Jun

    2014-03-01

    Controlling the stacking order of atomically thin 2D materials offers a powerful tool to control their properties. Linearly dispersed bands become hyperbolic in Bernal (AB) stacked bilayer graphene (BLG). Both Bernal (ABA) and rhombohedral (ABC) stacking occur in trilayer graphene (TLG), producing distinct band structures and electronic properties. A symmetry-breaking electric field perpendicular to the sample plane can further modify the band structures of BLG and TLG. In this talk, I will describe our experimental effort in these directions using dual-gated devices. Using thin HfO2 film deposited by ALD as gate dielectric, we are able to apply large displacement fields D > 6 V/nm and observe the opening and saturation of the field-induced band gap Eg in bilayer and ABC-stacked trilayer graphene, where the conduction in the mid gap changes by more than six decades. Its field and temperature dependence highlights the crucial role played by Coulomb disorder in facilitating hopping conduction and suppressing the effect of Eg in the tens of meV regime. In contrast, mid-gap conduction decreases with increasing D much more rapidly in clean h-BN dual-gated devices. Our studies also show the evolution of the band structure in ABA-stacked TLG, in particular the splitting of the Dirac-like bands in large D field and the signatures of two-band transport at high carrier densities. Comparison to theory reveals the need for more sophisticated treatment of electronic screening beyond self-consistent Hartree calculations to accurately predict the band structures of trilayer graphene and graphenic materials in general.

  3. Efficient purification and reconstitution of ATP binding cassette transporter B6 (ABCB6) for functional and structural studies.

    Science.gov (United States)

    Chavan, Hemantkumar; Khan, Mohiuddin Md Taimur; Tegos, George; Krishnamurthy, Partha

    2013-08-02

    The mitochondrial ATP binding cassette transporter ABCB6 has been associated with a broad range of physiological functions, including growth and development, therapy-related drug resistance, and the new blood group system Langereis. ABCB6 has been proposed to regulate heme synthesis by shuttling coproporphyrinogen III from the cytoplasm into the mitochondria. However, direct functional information of the transport complex is not known. To understand the role of ABCB6 in mitochondrial transport, we developed an in vitro system with pure and active protein. ABCB6 overexpressed in HEK293 cells was solubilized from mitochondrial membranes and purified to homogeneity. Purified ABCB6 showed a high binding affinity for MgATP (Kd = 0.18 μM) and an ATPase activity with a Km of 0.99 mM. Reconstitution of ABCB6 into liposomes allowed biochemical characterization of the ATPase including (i) substrate-stimulated ATPase activity, (ii) transport kinetics of its proposed endogenous substrate coproporphyrinogen III, and (iii) transport kinetics of substrates identified using a high throughput screening assay. Mutagenesis of the conserved lysine to alanine (K629A) in the Walker A motif abolished ATP hydrolysis and substrate transport. These results suggest a direct interaction between mitochondrial ABCB6 and its transport substrates that is critical for the activity of the transporter. Furthermore, the simple immunoaffinity purification of ABCB6 to near homogeneity and efficient reconstitution of ABCB6 into liposomes might provide the basis for future studies on the structure/function of ABCB6.

  4. Structured triglyceride vehicles for oral delivery of halofantrine: examination of intestinal lymphatic transport and bioavailability in conscious rats.

    Science.gov (United States)

    Holm, René; Porter, Christopher J H; Müllertz, Anette; Kristensen, Henning G; Charman, William N

    2002-09-01

    To compare the influence of triglyceride vehicle intramolecular structure on the intestinal lymphatic transport and systemic absorption of halofantrine in conscious rats. Conscious, lymph cannulated and nonlymph cannulated rats were dosed orally with three structurally different triglycerides; sunflower oil, and two structured triglycerides containing different proportion and position of medium-(M) and long-chain (L) fatty acids on the glycerol backbone. The two structured triglycerides were abbreviated MLM and LML to reflect the structural position on the glycerol. The concentration of halofantrine in blood and lymph samples was analyzed by HPLC. Both the lymphatic transport and the total absorption of halofantrine were enhanced by the use the MLM triglyceride. The estimated total absorption of halofantrine in the lymph cannulated animals was higher than in the nonlymph cannulated animals, and this was most pronounced for the animals dosed with the structured triglycerides. Using MLM as vehicle increases the portal absorption of halofantrine and results in similar lymphatic transport levels when compared to sunflower oil. Total absorption when assessed as absorption in the blood plus lymphatic transport for halofantrine after administration in the MLM triglyceride was higher than after administration in sunflower oil.

  5. Synthesis and structural, magnetic, thermal, and transport properties of several transition metal oxides and aresnides

    Energy Technology Data Exchange (ETDEWEB)

    Das, Supriyo [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    Oxide compounds containing the transition metal vanadium (V) have attracted a lot of attention in the field of condensed matter physics owing to their exhibition of interesting properties including metal-insulator transitons, structural transitions, ferromagnetic and an- tiferromagnetic orderings, and heavy fermion behavior. Binary vanadium oxides VnO2n-1 where 2 ≤ n ≤ 9 have triclinic structures and exhibit metal-insulator and antiferromagnetic transitions.[1–6] The only exception is V7O13 which remains metallic down to 4 K.[7] The ternary vanadium oxide LiV2O4 has the normal spinel structure, is metallic, does not un- dergo magnetic ordering and exhibits heavy fermion behavior below 10 K.[8] CaV2O4 has an orthorhombic structure[9, 10] with the vanadium spins forming zigzag chains and has been suggested to be a model system to study the gapless chiral phase.[11, 12] These provide great motivation for further investigation of some known vanadium compounds as well as to ex- plore new vanadium compounds in search of new physics. This thesis consists, in part, of experimental studies involving sample preparation and magnetic, transport, thermal, and x- ray measurements on some strongly correlated eletron systems containing the transition metal vanadium. The compounds studied are LiV2O4, YV4O8, and YbV4O8. The recent discovery of superconductivity in RFeAsO1-xFx (R = La, Ce, Pr, Gd, Tb, Dy, Sm, and Nd), and AFe2As2 (A = Ba, Sr, Ca, and Eu) doped with K, Na, or Cs at the A site with relatively high Tc has sparked tremendous activities in the condensed matter physics community and a renewed interest in the area of superconductivity as occurred following the discovery of the layered cuprate high Tc superconductors in 1986. To discover more supercon- ductors

  6. Effect of space structures against development of transport infrastructure in Banda Aceh by using the concept of transit oriented development

    Science.gov (United States)

    Noer, Fadhly; Matondang, A. Rahim; Sirojuzilam, Saleh, Sofyan M.

    2017-11-01

    Due to the shifting of city urban development causing the shift of city services center, so there is a change in space pattern and space structure in Banda Aceh, then resulting urban sprawl which can lead to congestion problem occurs on the arterial road in Banda Aceh, it can be seen from the increasing number of vehicles per year by 6%. Another issue occurs by urban sprawl is not well organized of settlement due to the uncontrolled use of space so that caused grouping or the differences in socioeconomic strata that can impact to the complexity of population mobility problem. From this background problem considered to be solved by a concept that is Transit Oriented Development (TOD), that is a concept of transportation development in co-operation with spatial. This research will get the model of transportation infrastructure development with TOD concept that can handle transportation problem in Banda Aceh, due to change of spatial structure, and to find whether TOD concept can use for the area that has a population in medium density range. The result that is obtained equation so the space structure is: Space Structure = 0.520 + 0.206X3 + 0.264X6 + 0.100X7 and Transportation Infrastructure Development = -1.457 + 0.652X1 + 0.388X5 + 0.235X6 + 0.222X7 + 0.327X8, So results obtained with path analysis method obtained variable influences, node ratio, network connectivity, travel frequency, travel destination, travel cost, and travel time, it has a lower value when direct effect with transportation infrastructure development, but if the indirect effect through the structure of space has a greater influence, can be seen from spatial structure path scheme - transportation infrastructure development.

  7. The structure of the COPII transport-vesicle coat assembled on membranes.

    Science.gov (United States)

    Zanetti, Giulia; Prinz, Simone; Daum, Sebastian; Meister, Annette; Schekman, Randy; Bacia, Kirsten; Briggs, John A G

    2013-09-17

    Coat protein complex II (COPII) mediates formation of the membrane vesicles that export newly synthesised proteins from the endoplasmic reticulum. The inner COPII proteins bind to cargo and membrane, linking them to the outer COPII components that form a cage around the vesicle. Regulated flexibility in coat architecture is essential for transport of a variety of differently sized cargoes, but structural data on the assembled coat has not been available. We have used cryo-electron tomography and subtomogram averaging to determine the structure of the complete, membrane-assembled COPII coat. We describe a novel arrangement of the outer coat and find that the inner coat can assemble into regular lattices. The data reveal how coat subunits interact with one another and with the membrane, suggesting how coordinated assembly of inner and outer coats can mediate and regulate packaging of vesicles ranging from small spheres to large tubular carriers. DOI:http://dx.doi.org/10.7554/eLife.00951.001.

  8. Dynamic Structure Factor and Transport Coefficients of a Homogeneously Driven Granular Fluid in Steady State

    Science.gov (United States)

    Vollmayr-Lee, Katharina; Zippelius, Annette; Aspelmeier, Timo

    2011-03-01

    We study the dynamic structure factor of a granular fluid of hard spheres, driven into a stationary nonequilibrium state by balancing the energy loss due to inelastic collisions with the energy input due to driving. The driving is chosen to conserve momentum, so that fluctuating hydrodynamics predicts the existence of sound modes. We present results of computer simulations which are based on an event driven algorithm. The dynamic structure factor F (q , ω) is determined for volume fractions 0.05, 0.1 and 0.2 and coefficients of normal restitution 0.8 and 0.9. We observe sound waves, and compare our results for F (q , ω) with the predictions of generalized fluctuating hydrodynamics which takes into account that temperature fluctuations decay either diffusively or with a finite relaxation rate, depending on wave number and inelasticity. We determine the speed of sound and the transport coefficients and compare them to the results of kinetic theory. K.V.L. thanks the Institute of Theoretical Physics, University of Goettingen, for financial support and hospitality.

  9. Effect of pH and soil structure on transport of sulfonamide antibiotics in agricultural soils.

    Science.gov (United States)

    Park, Jong Yol; Huwe, Bernd

    2016-06-01

    We investigated the effect of solution pH and soil structure on transport of sulfonamide antibiotics (sulfamethoxazole, sulfadimethoxine and sulfamethazine) in combination with batch sorption tests and column experiments. Sorption isotherms properly conformed to Freundlich model, and sorption potential of the antibiotics is as follows; sulfadimethoxine > sulfamethoxazole > sulfamethazine. Decreasing pH values led to increased sorption potential of the antibiotics on soil material in pH range of 4.0-8.0. This likely resulted from abundance of neutral and positive-charged sulfonamides species at low pH, which electrostatically bind to sorption sites on soil surface. Due to destruction of macropore channels, lower hydraulic conductivities of mobile zone were estimated in the disturbed soil columns than in the undisturbed soil columns, and eventually led to lower mobility of the antibiotics in disturbed column. The results suggest that knowledge of soil structure and solution condition is required to predict fate and distribution of sulfonamide antibiotics in environmental matrix. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. Structural, magnetic and transport properties of Co2FeAl Heusler films with varying thickness

    International Nuclear Information System (INIS)

    Wang, Xiaotian; Li, Yueqing; Du, Yin; Dai, Xuefang; Liu, Guodong; Liu, Enke; Liu, Zhongyuan; Wang, Wenhong; Wu, Guangheng

    2014-01-01

    We report on a systematic study of the structural, magnetic properties and the anomalous Hall effect, in the Heusler alloy Co 2 FeAl (CFA) epitaxial films on MgO (001), as a function of film thickness. It was found that the epitaxial CFA films show a highly ordered B2 structure with an in-plane uniaxial magnetic anisotropy. The electrical transport properties reveal that the lattice and magnon scattering contributions to the longitudinal resistivity. Independent on the thickness of films, the anomalous Hall resistivity of CFA films is found to be dominated by skew scattering only. Moreover, the anomalous Hall resistivity shows weakly temperature dependent behavior, and its absolute value increases as the thickness decreases. We attribute this temperature insensitivity in the anomalous Hall resistivity to the weak temperature dependent of tunneling spin-polarization in the CFA films, while the thickness dependence behavior is likely due to the increasing significance of interface or free surface electronic states. - Highlights: ●Highly ordered CFA films with various thicknesses were prepared on MgO substrates. ●The magnon scattering contributions to the longitudinal resistivity in the CFA films. ●The anomalous Hall resistivity of the CFA films shows weakly temperature dependent. ●The CFA films show weak temperature dependent of tunneling spin-polarization

  11. Electronic structure and transport properties of hydrogenated graphene and graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Choe, D H; Bang, Junhyeok; Chang, K J, E-mail: kchang@kaist.ac.kr [Department of Physics, Korea Advanced Institute of Science and Technology, Daejeon 305-701 (Korea, Republic of)

    2010-12-15

    The band gap opening is one of the important issues in applications of graphene and graphene nanoribbons (GNRs) to nanoscale electronic devices. As hydrogen strongly interacts with graphene and creates short-range disorder, the electronic structure is significantly modified by hydrogenation. Based on first-principles and tight-binding calculations, we investigate the electronic and transport properties of hydrogenated graphene and GNRs. In disordered graphene with low doses of H adsorbates, the low-energy states near the neutrality point are localized, and the degree of localization extends to high-energy states with increasing adsorbate density. To characterize the localization of eigenstates, we examine the inverse participation ratio and find that the localization is greatly enhanced for the defect levels, which are accumulated around the neutrality point. Our calculations support the previous result that even with a low dose of H adsorbates, graphene undergoes a metal-insulator transition. In GNRs, relaxations of the edge C atoms play a role in determining the edge structure and the hydrocarbon conformation at low and high H concentrations, respectively. In disordered nanoribbons, we find that the energy states near the neutrality point are localized and conductances through low-energy channels decay exponentially with sample size, similar to disordered graphene. For a given channel energy, the localization length tends to decrease as the adsorbate density increases. Moreover, the energy range of localization exceeds the intrinsic band gap.

  12. Structural, magnetic and magneto-transport properties of thermally evaporated Fe/Cu multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Bouziane, K.; Al-Busaidi, M.; Gismelseed, A.; Al-Rawas, A. [Physics Department, College of Science, Sultan Qabos University, P. O. Box 36, Postal Code 123, Al-Khodh, Muscat (Oman)

    2004-05-01

    Structural, magnetic and magneto-transport properties of thermally evaporated Fe/Cu multilayers (MLs) have been investigated. Although multilayered structure has been successfully obtained, a substantial interfacial roughness ranging from 0.6 nm to 1.2 nm has been determined. All Fe/Cu MLs were polycrystalline with an average grain size of about 10 nm. Fe was bcc and textured (110) whereas Cu was fcc(111). Transmission electron microscopy analysis showed that the fcc Cu layer was rather textured (110) and (100) at least in the first stage of growth of the Fe/Cu MLs. Conversion electron Moessbauer (CEMS) measurements indicated the existence of three phases. Two of them were magnetic with a dominant bcc Fe phase, followed by fcc Fe phase. The third phase was superparamagnetic. The CEMS results were explained in terms of the partial diffusion of Fe into Cu with three different zones. The small magnetoresistance (MR<0.2%) was correlated to Fe clusters located at Fe-Cu interfaces. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  13. Charge Transport in Two-Photon Semiconducting Structures for Solar Fuels.

    Science.gov (United States)

    Liu, Guohua; Du, Kang; Haussener, Sophia; Wang, Kaiying

    2016-10-20

    Semiconducting heterostructures are emerging as promising light absorbers and offer effective electron-hole separation to drive solar chemistry. This technology relies on semiconductor composites or photoelectrodes that work in the presence of a redox mediator and that create cascade junctions to promote surface catalytic reactions. Rational tuning of their structures and compositions is crucial to fully exploit their functionality. In this review, we describe the possibilities of applying the two-photon concept to the field of solar fuels. A wide range of strategies including the indirect combination of two semiconductors by a redox couple, direct coupling of two semiconductors, multicomponent structures with a conductive mediator, related photoelectrodes, as well as two-photon cells are discussed for light energy harvesting and charge transport. Examples of charge extraction models from the literature are summarized to understand the mechanism of interfacial carrier dynamics and to rationalize experimental observations. We focus on a working principle of the constituent components and linking the photosynthetic activity with the proposed models. This work gives a new perspective on artificial photosynthesis by taking simultaneous advantages of photon absorption and charge transfer, outlining an encouraging roadmap towards solar fuels. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Structure and transport at grain boundaries in polycrystalline olivine: An atomic-scale perspective

    Science.gov (United States)

    Mantisi, Boris; Sator, Nicolas; Guillot, Bertrand

    2017-12-01

    Structure and transport properties at grain boundaries in polycrystalline olivine have been investigated at the atomic scale by molecular dynamics simulation (MD) using an empirical ionocovalent interaction potential. On the time scale of the simulation (a few tens of nanoseconds for a system size of ∼650,000 atoms) grain boundaries and grain interior were identified by mapping the atomic displacements along the simulation run. In the investigated temperature range (1300-1700 K) the mean thickness of the grain boundary phase is evaluated between 0.5 and 2 nm, a value which depends on temperature and grain size. The structure of the grain boundary phase is found to be disordered (amorphous-like) and is different from the one exhibited by the supercooled liquid. The self-diffusion coefficients of major elements in the intergranular region range from ∼10-13 to 10-10 m2/s between 1300 and 1700 K (with DSigb Kubo relation expressing the viscosity as function of the stress tensor time correlation function. In spite of a slow convergence of the calculation by MD, the grain boundary viscosity was estimated about ∼105 Pa s at 1500 K, a value in agreement with high-temperature viscoelastic relaxation data. An interesting information gained from MD is that sliding at grain boundaries is essentially controlled by the internal friction between the intergranular phase and the grain edges.

  15. Study of transport properties of bodies with a perovskite structure: application to the MgSiO3 perovskite

    International Nuclear Information System (INIS)

    Kapusta, Benedicte

    1990-01-01

    After some recalls on transport in ionic solids (Nernst-Einstein relationship, variation of ionic conductivity, hybrid conduction, fast ionic conduction), this research thesis presents the physical properties of perovskites and more particularly the structure and stability of the MgSiO 3 perovskite: structure and elastic properties, electric conductivity and transport properties in compounds with a perovskite structure. Then, the author reports the experimental study of the KZnF 3 perovskite (a structural analogous of MgSiO 3 ): measurements of electric conductivity under pressure, measurements under atmospheric pressure, result discussion. The next part addresses the numerical simulation of MgSiO 3 : simulation techniques (generalities on molecular dynamics, model description), investigation of structural, elastic and thermodynamic properties, diffusion properties in quadratic phase [fr

  16. Effects of confinement and external fields on structure and transport in colloidal dispersions in reduced dimensionality

    International Nuclear Information System (INIS)

    Wilms, D; Virnau, P; Binder, K; Deutschländer, S; Siems, U; Franzrahe, K; Henseler, P; Keim, P; Schwierz, N; Maret, G; Nielaba, P

    2012-01-01

    In this work, we focus on low-dimensional colloidal model systems, via simulation studies and also some complementary experiments, in order to elucidate the interplay between phase behavior, geometric structures and transport properties. In particular, we try to investigate the (nonlinear!) response of these very soft colloidal systems to various perturbations: uniform and uniaxial pressure, laser fields, shear due to moving boundaries and randomly quenched disorder. We study ordering phenomena on surfaces or in monolayers by Monte Carlo computer simulations of binary hard-disk mixtures, the influence of a substrate being modeled by an external potential. Weak external fields allow a controlled tuning of the miscibility of the mixture. We discuss the laser induced de-mixing for the three different possible couplings to the external potential. The structural behavior of hard spheres interacting with repulsive screened Coulomb or dipolar interaction in 2D and 3D narrow constrictions is investigated using Brownian dynamics simulations. Due to misfits between multiples of the lattice parameter and the channel widths, a variety of ordered and disordered lattice structures have been observed. The resulting local lattice structures and defect probabilities are studied for various cross sections. The influence of a self-organized order within the system is reflected in the velocity of the particles and their diffusive behavior. Additionally, in an experimental system of dipolar colloidal particles confined by gravity on a solid substrate we investigate the effect of pinning on the dynamics of a two-dimensional colloidal liquid. This work contains sections reviewing previous work by the authors as well as new, unpublished results. Among the latter are detailed studies of the phase boundaries of the de-mixing regime in binary systems in external light fields, configurations for shear induced effects at structured walls, studies on the effect of confinement on the structures

  17. Research and design of the structure of information support of road transport

    Directory of Open Access Journals (Sweden)

    V. G. Kozlov

    2016-01-01

    Full Text Available The main issue is to study the interaction between the system of road transport and security of its information systems. The mechanism of this interaction is studied only on the basis of studies of the learning process. These two interacting systems through training react to each other. Due to the strong correlation between these two systems offer the development of the basics of management information support to carry out complex, without violating the integrity of the systems. As the methods of research used methods of system analysis and probability theory. The criteria for the study of the interaction of systems: full-scale technological and economic indicators. By the technological parameters include: completeness of use of the system (load, and performance of information security; to full-scale - the cost of labor, energy, materials; to the economic - the cost, payback, profit, profit. The stages of the development of the structure of information support: the definition of objectives; study of the problems and the choice of solution to the problem; agreed solutions (thematic plan; approval of decisions; Management and Implementation; verification of the effectiveness of decisions. Established shortcomings in the existing system of information support of decentralization processes interrelated technical planning; territorial, institutional and administrative divisions of organizations taking interdependent solutions; the lack of control most of the organizations operating information support for road transport; incomplete information of the absolute majority of publishing houses in the needs of motorists; duplication of the work of many publishers. There are two mechanisms of control information management system. Control enhances performance management system, improves the output characteristics of the system.

  18. Structural analysis in support of the waterborne transport of radioactive materials

    International Nuclear Information System (INIS)

    Ammerman, D.J.

    1996-01-01

    The safety of the transportation of radioactive materials by road and rail has been well studied and documented. However, the safety of waterborne transportation has received much less attention. Recent highly visible waterborne transportation campaigns have led to DOE and IAEA to focus attention on the safety of this transportation mode. In response, Sandia National Laboratories is conducting a program to establish a method to determine the safety of these shipments. As part of that program the mechanics involved in ship-to-ship collisions are being evaluated to determine the loadings imparted to radioactive material transportation packages during these collisions. This paper will report on the results of these evaluations

  19. Structure and Electrical-Transport Relations in Ba(Zr,Pr)O3-δ Perovskites.

    Science.gov (United States)

    Antunes, Isabel; Amador, Ulises; Alves, Adriana; Correia, Maria Rosário; Ritter, Clemens; Frade, Jorge Ribeiro; Pérez-Coll, Domingo; Mather, Glenn C; Fagg, Duncan Paul

    2017-08-07

    Members of the perovskite solid solution BaZr 1-x Pr x O 3-δ (0.2 ≤ x ≤ 0.8) with potential high-temperature electrochemical applications were synthesized via mechanical activation and high-temperature annealing at 1250 °C. Structural properties were examined by Rietveld analysis of neutron powder diffraction and Raman spectroscopy at room temperature, indicating rhombohedral symmetry (space group R3̅c) for members x = 0.2 and 0.4 and orthorhombic symmetry (Imma) for x = 0.6 and 0.8. The sequence of phase transitions for the complete solid solution from BaZrO 3 to BaPrO 3 is Pm3̅m → R3̅c → Imma → Pnma. The structural data indicate that Pr principally exists as Pr 4+ on the B site and that oxygen content increases with higher Pr content. Electrical-conductivity measurements in the temperature range of 250-900 °C in dry and humidified (pH 2 O ≈ 0.03 atm) N 2 and O 2 atmospheres revealed an increase of total conductivity by over 2 orders of magnitude in dry conditions from x = 0.2 to x = 0.8 (σ ≈ 0.08 S cm -1 at 920 °C in dry O 2 for x = 0.8). The conductivity for Pr contents x > 0.2 is attributable to positively charged electronic carriers, whereas for x = 0.2 transport in dry conditions is n-type. The change in conduction mechanism with composition is proposed to arise from the compensation regime for minor amounts of BaO loss changing from predominantly partitioning of Pr on the A site to vacancy formation with increasing Pr content. Conductivity is lower in wet conditions for x > 0.2 indicating that the positive defects are, to a large extent, charge compensated by less mobile protonic species. In contrast, the transport mechanism of the Zr-rich composition (x = 0.2), with much lower electronic conductivity, is essentially independent of moisture content.

  20. Theoretical investigation of the electronic structure and quantum transport in the graphene–C(111) diamond surface system

    International Nuclear Information System (INIS)

    Selli, Daniele; Baburin, Igor; Leoni, Stefano; Seifert, Gotthard; Zhu, Zhen; Tománek, David

    2013-01-01

    We investigate the interaction of a graphene monolayer with the C(111) diamond surface using ab initio density functional theory. To accommodate the lattice mismatch between graphene and diamond, the overlayer deforms into a wavy structure that binds strongly to the diamond substrate. The detached ridges of the wavy graphene overlayer behave electronically as free-standing polyacetylene chains with delocalized π electrons, separated by regions containing only sp 3 carbon atoms covalently bonded to the (111) diamond surface. We performed quantum transport calculations for different geometries of the system to study how the buckling of the graphene layer and the associated bonding to the diamond substrate affect the transport properties. The system displays high carrier mobility along the ridges and a wide transport gap in the direction normal to the ridges. These intriguing, strongly anisotropic transport properties qualify the hybrid graphene–diamond system as a viable candidate for electronic nanodevices. (paper)

  1. Role of interface states on electron transport in a-Si:H/nc-Si:H multilayer structures

    Science.gov (United States)

    Yadav, Asha; Kumari, Juhi; Agarwal, Pratima

    2018-05-01

    In this paper we report, I-V characteristic of a-Si:H/nc-Si:H multilayer structures in lateral as well as transverse direction. In lateral geometry, where the interfaces are parallel to the direction of electronic transport, residual photo conductivity (persistent photoconductivity) is observed after the light was turned off. On the other hand, in transverse geometry, where interfaces are along the direction of electronic transport, the space charge limited currents are affected and higher density of states is obtained. The PPC was more in the structures where numbers of such interface were more. These results have been understood in terms of the charge carriers trapped at the interface, which influence the electronic transport.

  2. Structural, electronic and transport properties of armorphous/crystalline silicon heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Schulze, Tim Ferdinand

    2011-06-15

    The present dissertation is concerned with the physical aspects of the a-Si:H/c-Si heterojunction in the context of PV research. In a first step, the technological development which took place in the framework of the thesis is summarized. Its main constituent was the development and implementation of ultrathin ({<=}10 nm) undoped a-Si:H[(i)a-Si:H] layers to improve the passivation of the c-Si surface with the goal of increasing the open-circuit voltage of the solar cell. It is shown that the effect of (i)a-Si:H interlayers depends on the c-Si substrate doping type, and that challenges exist particularly on the technologically more relevant (n)c-Si substrate. A precise optimization of (i)a-Si:H thickness and the doping level of the following a-Si:H top layers is required to realize an efficiency gain in the solar cell. In this chapter, the key scientific questions to be tackled in the main part of the thesis are brought up by the technological development. In the next chapter, the charge carrier transport through a-Si:H/c-Si heterojunctions is investigated making use of current-voltage (I/V) characteristics taken at different temperatures. The dominant transport mechanisms in a-Si:H/c-Si heterojunctions are identified, and the relevance for solar cell operation is discussed. It is found that in the bias regime relevant for solar cell operation, the theoretical framework for the description of carrier transport in classical c-Si solar cells applies as well, which enables to use I/V curves for a simple characterization of a-Si:H/c-Si structures. The next chapter deals with the microscopic characterization of ultrathin a-Si:H layers. Employing infrared spectroscopy, spectroscopic ellipsometry, photoelectron spectroscopy and secondary ion mass spectroscopy, the structural, electronic and optical properties of (i)a-Si:H are analyzed. It is found that ultrathin a-Si:H essentially behaves like layers of 10..100 times the thickness. This represents the basis for the

  3. The role of periodically varying discharge on river plume structure and transport

    Science.gov (United States)

    Yuan, Yeping; Horner-Devine, Alexander R.; Avener, Margaret; Bevan, Shaun

    2018-04-01

    We present results from laboratory experiments that simulate the effects of periodically varying discharge on buoyant coastal plumes. Freshwater is discharged into a two meter diameter tank filled with saltwater on a rotating table. The mean inflow rate, tank rotation period and density of the ambient salt water are varied to simulate a range of inflow Froude and Rossby numbers. The amplitude and the period of the inflow modulation are varied across a range that simulates variability due to tides and storms. Using the optical thickness method, we measure the width and depth of the plume, plume volume and freshwater retention rate in the plume. With constant discharge, freshwater is retained in a growing anticyclonic bulge circulation near the river mouth, as observed in previous studies. When the discharge is varied, the bulge geometry oscillates between a circular plume structure that extends mainly in the offshore direction, and a compressed plume structure that extends mainly in the alongshore direction. The oscillations result in periodic variations in the width and depth of the bulge and the incidence angle formed where the bulge flow re-attaches with the coastal wall. The oscillations are more pronounced for longer modulation periods, but are relatively insensitive to the modulation amplitude. A phase difference between the time varying transport within the bulge and bulge geometry determines the fraction of the bulge flow discharged into the coastal current. As a result, the modulation period determines the variations in amount of freshwater that returns to the bulge. Freshwater retention in the bulge is increased in longer modulation periods and more pronounced for larger modulation amplitudes.

  4. Safety factor profile dependence of turbulent structure formation in relevant to internal transport barrier relaxation

    International Nuclear Information System (INIS)

    Tokunaga, S.; Yagi, M.; Itoh, S.-I.; Itoh, K.

    2009-01-01

    Full text: It is widely understood that the improved confinement mode with transport barrier is necessary to achieve the self-ignition condition in ITER. The negative magnetic shear, mean ExB flow shear, and zonal flow are considered to play important roles for ITB formation. In our previous study, it is found that the non-linear interaction between the meso-scale modes produces non-local energy transfer to the off-resonant mode in the vicinity of q min surface and brings global relaxation of the temperature profile involving ITB collapse. Experimental studies indicate that a relationship exists between the ITB formation and safety factor q-profile, with a reversed magnetic shear (RS) configuration. Transitional ITB events occur on the low-order rational resonant surface. The ITB shape and location depend on the q-profile and q min position. These observations indicate that the q-profile might play an essential role in determining the turbulent structure. In this study, the effect of safety factor profile on the ion temperature gradient driven drift wave (ITG) turbulence is investigated using a global non-linear simulation code based on the gyro-fluid model. A heat source and toroidal momentum source are introduced. Dependence of safety factor profiles on ITB formation and its stability is examined to clarify the influence of the radial distribution of the rational surfaces and the q min value. It is found that the nonlinearly excited meso-scale mode in the vicinity of q min depends on the value of q min . A detailed analysis of the structure selection rule is in progress. (author)

  5. Carrier transport and electronic structure in amorphous oxide semiconductor, a-InGaZnO4

    International Nuclear Information System (INIS)

    Takagi, Akihiro; Nomura, Kenji; Ohta, Hiromichi; Yanagi, Hiroshi; Kamiya, Toshio; Hirano, Masahiro; Hosono, Hideo

    2005-01-01

    Carrier transport properties in amorphous oxide semiconductor InGaZnO 4 (a-IGZO) thin films were investigated in detail using temperature dependence of Hall measurements. It was found that Hall mobility increased distinctly as carrier concentration increased. Unlikely conventional amorphous semiconductors such as a-Si/H, definite normal Hall voltage signals were observed on the films with carrier concentrations (N e )>10 16 cm -3 , and Hall mobilities as large as 15 cm 2 (Vs) -1 were attained in the films with N e >10 20 cm -3 . When N e was less than 10 19 cm -3 , the temperature dependence of Hall mobility showed thermally-activated behavior in spite that carrier concentration was independent of temperature. While, it changed to almost degenerate conduction at N e >10 18 cm -3 . These behaviors are similar to those observed in single-crystalline IGZO, and are explained by percolation conduction through distributed potential barriers which are formed in the vicinity of the conduction band bottom due to the randomness of the amorphous structure. The effective mass of a-IGZO was estimated to be ∼0.34 m e (m e is the mass of free electron) from optical data, which is almost the same as that of crystalline IGZO (∼0.32 m e )

  6. Electronic structure calculations of atomic transport properties in uranium dioxide: influence of strong correlations

    International Nuclear Information System (INIS)

    Dorado, B.

    2010-09-01

    Uranium dioxide UO 2 is the standard nuclear fuel used in pressurized water reactors. During in-reactor operation, the fission of uranium atoms yields a wide variety of fission products (FP) which create numerous point defects while slowing down in the material. Point defects and FP govern in turn the evolution of the fuel physical properties under irradiation. In this study, we use electronic structure calculations in order to better understand the fuel behavior under irradiation. In particular, we investigate point defect behavior, as well as the stability of three volatile FP: iodine, krypton and xenon. In order to take into account the strong correlations of uranium 5f electrons in UO 2 , we use the DFT+U approximation, based on the density functional theory. This approximation, however, creates numerous metastable states which trap the system and induce discrepancies in the results reported in the literature. To solve this issue and to ensure the ground state is systematically approached as much as possible, we use a method based on electronic occupancy control of the correlated orbitals. We show that the DFT+U approximation, when used with electronic occupancy control, can describe accurately point defect and fission product behavior in UO 2 and provide quantitative information regarding point defect transport properties in the oxide fuel. (author)

  7. Structural, transport, magnetic, magnetocaloric properties and critical analysis of Ni-Co-Mn-Ga Heusler alloys

    Science.gov (United States)

    Arumugam, S.; Devarajan, U.; Esakki Muthu, S.; Singh, Sanjay; Thiyagarajan, R.; Raja, M. Manivel; Rama Rao, N. V.; Banerjee, Alok

    2017-11-01

    In this work, we have investigated structural, transport, magnetic, magnetocaloric (MC) properties and critical exponents analysis of the (Ni2.1-xCox)Mn0.9 Ga (x = 0, 0.04, 0.12 and 0.2) Heusler alloys. For all compositions, cubic austenite (A) phase with metallic character is observed at room temperature (RT). With increasing of Co content, magnitude of resistivity decreases, whereas residual resistivity (ρ0) and electron scattering factor (A) increases linearly. Magnetic measurements exhibit that ferromagnetic (FM) Curie temperature (TCA) increases towards RT by increasing Co concentration. All samples show conventional MC and maximum magnetic entropy change (ΔSMpeak) of -2.8 Jkg-1 K-1 is observed for x = 0.12 at 147 K under 5 T. Further, hysteresis is observed between cooling and warming cycles around FM-PM (TCA) transition in x = 0, 0.04 samples, which suggests that first order nature of transition. However, there is no hysteresis across TCA for x = 0.12 and 0.2 samples suggesting second-order nature of the transition. The critical exponents are calculated for x = 0.12 sample around TCA using Arrott plot and Kouvel-Fisher method, the estimated critical exponents are found closer to the mean-field model reveals the long range ferromagnetic ordering in this composition.

  8. Composition of the mitochondrial electron transport chain in acanthamoeba castellanii: structural and evolutionary insights.

    Science.gov (United States)

    Gawryluk, Ryan M R; Chisholm, Kenneth A; Pinto, Devanand M; Gray, Michael W

    2012-11-01

    The mitochondrion, derived in evolution from an α-proteobacterial progenitor, plays a key metabolic role in eukaryotes. Mitochondria house the electron transport chain (ETC) that couples oxidation of organic substrates and electron transfer to proton pumping and synthesis of ATP. The ETC comprises several multiprotein enzyme complexes, all of which have counterparts in bacteria. However, mitochondrial ETC assemblies from animals, plants and fungi are generally more complex than their bacterial counterparts, with a number of 'supernumerary' subunits appearing early in eukaryotic evolution. Little is known, however, about the ETC of unicellular eukaryotes (protists), which are key to understanding the evolution of mitochondria and the ETC. We present an analysis of the ETC proteome from Acanthamoeba castellanii, an ecologically, medically and evolutionarily important member of Amoebozoa (sister to Opisthokonta). Data obtained from tandem mass spectrometric (MS/MS) analyses of purified mitochondria as well as ETC complexes isolated via blue native polyacrylamide gel electrophoresis are combined with the results of bioinformatic queries of sequence databases. Our bioinformatic analyses have identified most of the ETC subunits found in other eukaryotes, confirming and extending previous observations. The assignment of proteins as ETC subunits by MS/MS provides important insights into the primary structures of ETC proteins and makes possible, through the use of sensitive profile-based similarity searches, the identification of novel constituents of the ETC along with the annotation of highly divergent but phylogenetically conserved ETC subunits. © 2012 Elsevier B.V. All rights reserved.

  9. Incidence of Trailer Frame Structure on Driver’s Safety during Log Transportation

    Directory of Open Access Journals (Sweden)

    Marco Manzone

    2017-11-01

    Full Text Available The frame structure of the trailer may influence both the traction and the tractor-trailer stability, especially along sloped paths. The aim of this research was to analyze a trailer overturning and the strains on the connected tractors (wheeled, or crawled during log transportation (loose or tied along a hillside. Two two-axle trailers were used: tandem and turntable steering. Three types of measurements were carried out during the field tests: (i the detachment from the ground of the rear upstream wheels (or crawler; (ii the transversal and longitudinal strains occurring when the trailer overturned (and released the hooking system of the tractor; (iii the lateral deviation of the rear wheels (or crawler of the tractor. The study highlighted that the two-axle trailer with turntable steering combined with the crawl tractor gave better results in terms of safety during trailer overturning. In addition, independent of the type of trailer, a tied load was found to be more dangerous than a load restrained only by steel struts, because when overturning, the load forms a single unit with the trailer mass which increases the strains.

  10. Neurotransmitter transporters

    DEFF Research Database (Denmark)

    Gether, Ulrik; Andersen, Peter H; Larsson, Orla M

    2006-01-01

    The concentration of neurotransmitters in the extracellular space is tightly controlled by distinct classes of membrane transport proteins. This review focuses on the molecular function of two major classes of neurotransmitter transporter that are present in the cell membrane of neurons and....... Recent research has provided substantial insight into the structure and function of these transporters. In particular, the recent crystallizations of bacterial homologs are of the utmost importance, enabling the first reliable structural models of the mammalian neurotransmitter transporters...

  11. Structures of the fractional spaces generated by the difference neutron transport operator

    International Nuclear Information System (INIS)

    Ashyralyev, Allaberen; Taskin, Abdulgafur

    2015-01-01

    The initial boundary value problem for the neutron transport equation is considered. The first, second and third order of accuracy difference schemes for the approximate solution of this problem are presented. Highly accurate difference schemes for neutron transport equation based on Padé approximation are constructed. In applications, stability estimates for solutions of difference schemes for the approximate solution of the neutron transport equation are obtained.The positivity of the neutron transport operator in Slobodeckij spaces is proved. Numerical techniques are developed and algorithms are tested on an example in MATLAB

  12. Effects of seasonality, transport pathway, and spatial structure on greenhouse gas fluxes in a restored wetland.

    Science.gov (United States)

    McNicol, Gavin; Sturtevant, Cove S; Knox, Sara H; Dronova, Iryna; Baldocchi, Dennis D; Silver, Whendee L

    2017-07-01

    Wetlands can influence global climate via greenhouse gas (GHG) exchange of carbon dioxide (CO 2 ), methane (CH 4 ), and nitrous oxide (N 2 O). Few studies have quantified the full GHG budget of wetlands due to the high spatial and temporal variability of fluxes. We report annual open-water diffusion and ebullition fluxes of CO 2 , CH 4 , and N 2 O from a restored emergent marsh ecosystem. We combined these data with concurrent eddy-covariance measurements of whole-ecosystem CO 2 and CH 4 exchange to estimate GHG fluxes and associated radiative forcing effects for the whole wetland, and separately for open-water and vegetated cover types. Annual open-water CO 2 , CH 4 , and N 2 O emissions were 915 ± 95 g C-CO 2  m -2  yr -1 , 2.9 ± 0.5 g C-CH 4  m -2  yr -1 , and 62 ± 17 mg N-N 2 O m -2  yr -1 , respectively. Diffusion dominated open-water GHG transport, accounting for >99% of CO 2 and N 2 O emissions, and ~71% of CH 4 emissions. Seasonality was minor for CO 2 emissions, whereas CH 4 and N 2 O fluxes displayed strong and asynchronous seasonal dynamics. Notably, the overall radiative forcing of open-water fluxes (3.5 ± 0.3 kg CO 2 -eq m -2  yr -1 ) exceeded that of vegetated zones (1.4 ± 0.4 kg CO 2 -eq m -2  yr -1 ) due to high ecosystem respiration. After scaling results to the entire wetland using object-based cover classification of remote sensing imagery, net uptake of CO 2 (-1.4 ± 0.6 kt CO 2 -eq yr -1 ) did not offset CH 4 emission (3.7 ± 0.03 kt CO 2 -eq yr -1 ), producing an overall positive radiative forcing effect of 2.4 ± 0.3 kt CO 2 -eq yr -1 . These results demonstrate clear effects of seasonality, spatial structure, and transport pathway on the magnitude and composition of wetland GHG emissions, and the efficacy of multiscale flux measurement to overcome challenges of wetland heterogeneity. © 2017 John Wiley & Sons Ltd.

  13. Permeating disciplines: Overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport.

    Science.gov (United States)

    Howard, Rebecca J; Carnevale, Vincenzo; Delemotte, Lucie; Hellmich, Ute A; Rothberg, Brad S

    2018-04-01

    Ion translocation across biological barriers is a fundamental requirement for life. In many cases, controlling this process-for example with neuroactive drugs-demands an understanding of rapid and reversible structural changes in membrane-embedded proteins, including ion channels and transporters. Classical approaches to electrophysiology and structural biology have provided valuable insights into several such proteins over macroscopic, often discontinuous scales of space and time. Integrating these observations into meaningful mechanistic models now relies increasingly on computational methods, particularly molecular dynamics simulations, while surfacing important challenges in data management and conceptual alignment. Here, we seek to provide contemporary context, concrete examples, and a look to the future for bridging disciplinary gaps in biological ion transport. This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Simulation of current-voltage characteristics of a MOS structure considering the tunnel transport of carriers in semiconductor

    International Nuclear Information System (INIS)

    Vexler, M I

    2006-01-01

    The effect of a tunnel charge transport in the near-surface region of silicon on the electrical characteristics of MOS structures with a 2-3 nm insulator layer is studied theoretically. An equilibrium condition for the substrate is assumed. The cases of an Al and polySi gate are considered. The possibility of a 'double' (in Si and through SiO 2 ) tunnelling expands the energy range of transported particles, which increases one of the components of the total tunnel current. The proposed model allows for the improved simulation of gate current in MOSFETs, which is especially important for highly-doped substrates

  15. SIMULATIONS OF LATERAL TRANSPORT AND DROPOUT STRUCTURE OF ENERGETIC PARTICLES FROM IMPULSIVE SOLAR FLARES

    Energy Technology Data Exchange (ETDEWEB)

    Tooprakai, P. [Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Seripienlert, A.; Ruffolo, D.; Chuychai, P. [Thailand Center of Excellence in Physics, CHE, Ministry of Education, Bangkok 10400 (Thailand); Matthaeus, W. H., E-mail: david.ruf@mahidol.ac.th [Bartol Research Institute and Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States)

    2016-11-10

    We simulate trajectories of energetic particles from impulsive solar flares for 2D+slab models of magnetic turbulence in spherical geometry to study dropout features, i.e., sharp, repeated changes in the particle density. Among random-phase realizations of two-dimensional (2D) turbulence, a spherical harmonic expansion can generate homogeneous turbulence over a sphere, but a 2D fast Fourier transform (FFT) locally mapped onto the lateral coordinates in the region of interest is much faster computationally, and we show that the results are qualitatively similar. We then use the 2D FFT field as input to a 2D MHD simulation, which dynamically generates realistic features of turbulence such as coherent structures. The magnetic field lines and particles spread non-diffusively (ballistically) to a patchy distribution reaching up to 25° from the injection longitude and latitude at r ∼ 1 au. This dropout pattern in field line trajectories has sharper features in the case of the more realistic 2D MHD model, in better qualitative agreement with observations. The initial dropout pattern in particle trajectories is relatively insensitive to particle energy, though the energy affects the pattern’s evolution with time. We make predictions for future observations of solar particles near the Sun (e.g., at 0.25 au), for which we expect a sharp pulse of outgoing particles along the dropout pattern, followed by backscattering that first remains close to the dropout pattern and later exhibits cross-field transport to a distribution that is more diffusive, yet mostly contained within the dropout pattern found at greater distances.

  16. Reflections of the Capitalization on Operational Leasing in Transport Subsector Companie's Structure Indicators Listed on Bovespa

    Directory of Open Access Journals (Sweden)

    Vinícius Gomes Martins

    2013-12-01

    Full Text Available Leasing is an alternative to financing the acquisition of assets for entities, and it has like modalities the operating procedures and financial leasing. This type of operation has caused several theoretical obstacles, among them the issue of off-balance sheet transactions. To reduce these accounting inconsistencies, the IASB and FASB have been working together to standardize the subject, this result was the publication of Exposure Draft 2010/09 (ED, which promises significant changes in the treatment of such transactions. Given this, this study aimed to analyze the impacts of the proposed changes contained in the ED, as the capitalization of operating leases, in the structure indicators at transportation subsector companies listed on the Bovespa. For this, we used the simulation methodology of the proposals in ED, confirming previous research. After the simulation accomplished, we proceeded with the Student's t test for paired samples, in order to check if the expected changes may cause significant differences in the indicators tested. The evidence points in the year of 2011, an amount of $ 3.8 billion, related to operating leases, not moved by the balance sheet (off-balance sheet of their respective companies. It was also observed that, on average, sample firms have operating leases to pay equivalent to 18.46% equity and 16.14% of debt. Finally, by simulating the proposals in the ED, it was found that the indicators of debt, equity and immobilization of the detention of non-current resources show significant variation from the statistical point of view, due to the capitalization of operating lease balances.

  17. SIMULATIONS OF LATERAL TRANSPORT AND DROPOUT STRUCTURE OF ENERGETIC PARTICLES FROM IMPULSIVE SOLAR FLARES

    International Nuclear Information System (INIS)

    Tooprakai, P.; Seripienlert, A.; Ruffolo, D.; Chuychai, P.; Matthaeus, W. H.

    2016-01-01

    We simulate trajectories of energetic particles from impulsive solar flares for 2D+slab models of magnetic turbulence in spherical geometry to study dropout features, i.e., sharp, repeated changes in the particle density. Among random-phase realizations of two-dimensional (2D) turbulence, a spherical harmonic expansion can generate homogeneous turbulence over a sphere, but a 2D fast Fourier transform (FFT) locally mapped onto the lateral coordinates in the region of interest is much faster computationally, and we show that the results are qualitatively similar. We then use the 2D FFT field as input to a 2D MHD simulation, which dynamically generates realistic features of turbulence such as coherent structures. The magnetic field lines and particles spread non-diffusively (ballistically) to a patchy distribution reaching up to 25° from the injection longitude and latitude at r ∼ 1 au. This dropout pattern in field line trajectories has sharper features in the case of the more realistic 2D MHD model, in better qualitative agreement with observations. The initial dropout pattern in particle trajectories is relatively insensitive to particle energy, though the energy affects the pattern’s evolution with time. We make predictions for future observations of solar particles near the Sun (e.g., at 0.25 au), for which we expect a sharp pulse of outgoing particles along the dropout pattern, followed by backscattering that first remains close to the dropout pattern and later exhibits cross-field transport to a distribution that is more diffusive, yet mostly contained within the dropout pattern found at greater distances.

  18. almaBTE : A solver of the space-time dependent Boltzmann transport equation for phonons in structured materials

    Science.gov (United States)

    Carrete, Jesús; Vermeersch, Bjorn; Katre, Ankita; van Roekeghem, Ambroise; Wang, Tao; Madsen, Georg K. H.; Mingo, Natalio

    2017-11-01

    almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals and alloys, thin films, superlattices, and multiscale structures with size features in the nm- μm range. Among many other quantities, the program can output thermal conductances and effective thermal conductivities, space-resolved average temperature profiles, and heat-current distributions resolved in frequency and space. Its first-principles character makes almaBTE especially well suited to investigate novel materials and structures. This article gives an overview of the program structure and presents illustrative examples for some of its uses. PROGRAM SUMMARY Program Title:almaBTE Program Files doi:http://dx.doi.org/10.17632/8tfzwgtp73.1 Licensing provisions: Apache License, version 2.0 Programming language: C++ External routines/libraries: BOOST, MPI, Eigen, HDF5, spglib Nature of problem: Calculation of temperature profiles, thermal flux distributions and effective thermal conductivities in structured systems where heat is carried by phonons Solution method: Solution of linearized phonon Boltzmann transport equation, Variance-reduced Monte Carlo

  19. Structural Characterization of Heme Environmental Mutants of CgHmuT that Shuttles Heme Molecules to Heme Transporters

    Directory of Open Access Journals (Sweden)

    Norifumi Muraki

    2016-05-01

    Full Text Available Corynebacteria contain a heme uptake system encoded in hmuTUV genes, in which HmuT protein acts as a heme binding protein to transport heme to the cognate transporter HmuUV. The crystal structure of HmuT from Corynebacterium glutamicum (CgHmuT reveals that heme is accommodated in the central cleft with His141 and Tyr240 as the axial ligands and that Tyr240 forms a hydrogen bond with Arg242. In this work, the crystal structures of H141A, Y240A, and R242A mutants were determined to understand the role of these residues for the heme binding of CgHmuT. Overall and heme environmental structures of these mutants were similar to those of the wild type, suggesting that there is little conformational change in the heme-binding cleft during heme transport reaction with binding and the dissociation of heme. A loss of one axial ligand or the hydrogen bonding interaction with Tyr240 resulted in an increase in the redox potential of the heme for CgHmuT to be reduced by dithionite, though the wild type was not reduced under physiological conditions. These results suggest that the heme environmental structure stabilizes the ferric heme binding in CgHmuT, which will be responsible for efficient heme uptake under aerobic conditions where Corynebacteria grow.

  20. Solution processable semiconductor thin films: Correlation between morphological, structural, optical and charge transport properties

    Science.gov (United States)

    Isik, Dilek

    This Ph.D. thesis is a result of multidisciplinary research bringing together fundamental concepts in thin film engineering, materials science, materials processing and characterization, electrochemistry, microfabrication, and device physics. Experiments were conducted by tackling scientific problems in the field of thin films and interfaces, with the aim to correlate the morphology, crystalline structure, electronic structure of thin films with the functional properties of the films and the performances of electronic devices based thereon. Furthermore, novel strategies based on interfacial phenomena at electrolyte/thin film interfaces were explored and exploited to control the electrical conductivity of the thin films. Three main chemical systems were the object of the studies performed during this Ph.D., two types of organic semiconductors (azomethine-based oligomers and polymers and soluble pentacene derivatives) and one metal oxide semiconductor (tungsten trioxide, WO3). To explore the morphological properties of the thin films, atomic force microscopy was employed. The morphological properties were further investigated by hyperspectral fluorescence microscopy and tentatively correlated to the charge transport properties of the films. X-ray diffraction (Grazing incidence XRD, GIXRD) was used to investigate the crystallinity of the film and the effect of the heat treatment on such crystallinity, as well as to understand the molecular arrangement of the organic molecules in the thin film. The charge transport properties of the films were evaluated in thin film transistor configuration. For electrolyte gated thin film transistors, time dependent transient measurements were conducted, in parallel to more conventional transistor characterizations, to explore the specific effects played on the gating by the anion and cation constituting the electrolyte. The capacitances of the electrical double layers at the electrolyte/WO3 interface were obtained from

  1. The Role of Shape on Electronic Structure and Charge Transport in Faceted PbSe Nanocrystals

    KAUST Repository

    Kaushik, Ananth P.; Lukose, Binit; Clancy, Paulette

    2014-01-01

    We have determined the effect of shape on the charge transport characteristics of nanocrystals. Our study looked at the explicit determination of the electronic properties of faceted nanocrystals that essentially probe the limit of current

  2. Structural determinants of electric vehicle market growth : a National Center for Sustainable Transportation research report.

    Science.gov (United States)

    2017-02-01

    Zero emission vehicles (ZEV) and plug-in electric vehicles (PEV) are critical technologies to attain deep reductions in greenhouse gases from transportation. PEV markets, however, have grown more slowly than anticipated by many observers. In this stu...

  3. Initial study and verification of a distributed fiber optic corrosion monitoring system for transportation structures.

    Science.gov (United States)

    2012-07-01

    For this study, a novel optical fiber sensing system was developed and tested for the monitoring of corrosion in : transportation systems. The optical fiber sensing system consists of a reference long period fiber gratings (LPFG) sensor : for corrosi...

  4. HKT transporters mediate salt stress resistance in plants: from structure and function to the field.

    Science.gov (United States)

    Hamamoto, Shin; Horie, Tomoaki; Hauser, Felix; Deinlein, Ulrich; Schroeder, Julian I; Uozumi, Nobuyuki

    2015-04-01

    Plant cells are sensitive to salinity stress and do not require sodium as an essential element for their growth and development. Saline soils reduce crop yields and limit available land. Research shows that HKT transporters provide a potent mechanism for mediating salt tolerance in plants. Knowledge of the molecular ion transport and regulation mechanisms and the control of HKT gene expression are crucial for understanding the mechanisms by which HKT transporters enhance crop performance under salinity stress. This review focuses on HKT transporters in monocot plants and in Arabidopsis as a dicot plant, as a guide to efforts toward improving salt tolerance of plants for increasing the production of crops and bioenergy feedstocks. Copyright © 2014 Elsevier Ltd. All rights reserved.

  5. Stream instability countermeasures applied at Kansas Department of Transportation highway structures.

    Science.gov (United States)

    2008-11-01

    This project considered stream instability countermeasures used by the Kansas Department of Transportation (KDOT) to protect the highway infrastructure at stream crossings from changes due to the dynamic nature of streams. Site visits were made to 13...

  6. Radio-metabolite analysis of carbon-11 biochemical partitioning to non-structural carbohydrates for integrated metabolism and transport studies.

    Science.gov (United States)

    Babst, Benjamin A; Karve, Abhijit A; Judt, Tatjana

    2013-06-01

    Metabolism and phloem transport of carbohydrates are interactive processes, yet each is often studied in isolation from the other. Carbon-11 ((11)C) has been successfully used to study transport and allocation processes dynamically over time. There is a need for techniques to determine metabolic partitioning of newly fixed carbon that are compatible with existing non-invasive (11)C-based methodologies for the study of phloem transport. In this report, we present methods using (11)C-labeled CO2 to trace carbon partitioning to the major non-structural carbohydrates in leaves-sucrose, glucose, fructose and starch. High-performance thin-layer chromatography (HPTLC) was adapted to provide multisample throughput, raising the possibility of measuring different tissues of the same individual plant, or for screening multiple plants. An additional advantage of HPTLC was that phosphor plate imaging of radioactivity had a much higher sensitivity and broader range of sensitivity than radio-HPLC detection, allowing measurement of (11)C partitioning to starch, which was previously not possible. Because of the high specific activity of (11)C and high sensitivity of detection, our method may have additional applications in the study of rapid metabolic responses to environmental changes that occur on a time scale of minutes. The use of this method in tandem with other (11)C assays for transport dynamics and whole-plant partitioning makes a powerful combination of tools to study carbohydrate metabolism and whole-plant transport as integrated processes.

  7. CryoEM structure of the human SLC4A4 sodium-coupled acid-base transporter NBCe1.

    Science.gov (United States)

    Huynh, Kevin W; Jiang, Jiansen; Abuladze, Natalia; Tsirulnikov, Kirill; Kao, Liyo; Shao, Xuesi; Newman, Debra; Azimov, Rustam; Pushkin, Alexander; Zhou, Z Hong; Kurtz, Ira

    2018-03-02

    Na + -coupled acid-base transporters play essential roles in human biology. Their dysfunction has been linked to cancer, heart, and brain disease. High-resolution structures of mammalian Na + -coupled acid-base transporters are not available. The sodium-bicarbonate cotransporter NBCe1 functions in multiple organs and its mutations cause blindness, abnormal growth and blood chemistry, migraines, and impaired cognitive function. Here, we have determined the structure of the membrane domain dimer of human NBCe1 at 3.9 Å resolution by cryo electron microscopy. Our atomic model and functional mutagenesis revealed the ion accessibility pathway and the ion coordination site, the latter containing residues involved in human disease-causing mutations. We identified a small number of residues within the ion coordination site whose modification transformed NBCe1 into an anion exchanger. Our data suggest that symporters and exchangers utilize comparable transport machinery and that subtle differences in their substrate-binding regions have very significant effects on their transport mode.

  8. The Factors Influencing Satisfaction with Public City Transport: A Structural Equation Modelling Approach

    OpenAIRE

    Pawlasova Pavlina

    2015-01-01

    Satisfaction is one of the key factors which influences customer loyalty. We assume that the satisfied customer will be willing to use the ssame service provider again. The overall passengers´ satisfaction with public city transport may be affected by the overall service quality. Frequency, punctuality, cleanliness in the vehicle, proximity, speed, fare, accessibility and safety of transport, information and other factors can influence passengers´ satisfaction. The aim of this pap...

  9. Influence of structural properties on ballistic transport in nanoscale epitaxial graphene cross junctions

    International Nuclear Information System (INIS)

    Bock, Claudia; Weingart, Sonja; Karaissaridis, Epaminondas; Kunze, Ulrich; Speck, Florian; Seyller, Thomas

    2012-01-01

    In this paper we investigate the influence of material and device properties on the ballistic transport in epitaxial monolayer graphene and epitaxial quasi-free-standing monolayer graphene. Our studies comprise (a) magneto-transport in two-dimensional (2D) Hall bars, (b) temperature- and magnetic-field-dependent bend resistance of unaligned and step-edge-aligned orthogonal cross junctions, and (c) the influence of the lead width of the cross junctions on ballistic transport. We found that ballistic transport is highly sensitive to scattering at the step edges of the silicon carbide substrate. A suppression of the ballistic transport is observed if the lead width of the cross junction is reduced from 50 nm to 30 nm. In a 50 nm wide device prepared on quasi-free-standing graphene we observe a gradual transition from the ballistic into the diffusive transport regime if the temperature is increased from 4.2 to about 50 K, although 2D Hall bars show a temperature-independent mobility. Thus, in 1D devices additional temperature-dependent scattering mechanisms play a pivotal role. (paper)

  10. The Texas horned lizard as model for robust capillary structures for passive directional transport of cooling lubricants

    Science.gov (United States)

    Comanns, Philipp; Winands, Kai; Pothen, Mario; Bott, Raya A.; Wagner, Hermann; Baumgartner, Werner

    2016-04-01

    Moisture-harvesting lizards, such as the Texas horned lizard Phrynosoma cornutum, have remarkable adaptations for inhabiting arid regions. Special skin structures, in particular capillary channels in between imbricate overlapping scales, enable the lizard to collect water by capillarity and to transport it to the snout for ingestion. This fluid transport is passive and directional towards the lizard's snout. The directionality is based on geometric principles, namely on a periodic pattern of interconnected half-open capillary channels that narrow and widen. Following a biomimetic approach, these principles were transferred to technical prototype design and manufacturing. Capillary structures, 50 μm to 300 μm wide and approx. 70 μm deep, were realized by use of a pulsed picosecond laser in hot working tool steel, hardened to 52 HRC. In order to achieve highest functionality, strategies were developed to minimize potential structural inaccuracies, which can occur at the bottom of the capillary structures caused by the laser process. Such inaccuracies are in the range of 10 μm to 15 μm and form sub-capillary structures with greater capillary forces than the main channels. Hence, an Acceleration Compensation Algorithm was developed for the laser process to minimize or even avoid these inaccuracies. The capillary design was also identified to have substantial influence; by a hexagonal capillary network of non-parallel capillaries potential influences of sub-capillaries on the functionality were reduced to realize a robust passive directional capillary transport. Such smart surface structures can lead to improvements of technical systems by decreasing energy consumption and increasing the resource efficiency.

  11. A Systematic Transport and Thermodynamic Study of Heavy Transition Metal Oxides with Hexagonal Structure

    Science.gov (United States)

    Butrouna, Kamal

    There is no apparent, dominant interaction in heavy transition metal oxides (TMO), especially in 5d-TMO, where all relevant interactions are of comparable energy scales, and therefore strongly compete. In particular, the spin-orbit interaction (SOI) strongly competes with the electron-lattice and on-site Coulomb interaction (U). Therefore, any tool that allows one to tune the relative strengths of SOI and U is expected to offer an opportunity for the discovery and study of novel materials. BaIrO3 is a magnetic insulator driven by SOI, whereas the isostructural BaRuO3 is a paramagnetic metal. The contrasting ground states have been shown to result from the critical role of SOI in the iridate. This dissertation thoroughly examines a wide array of newly observed novel phenomena induced by adjusting the relative strengths of SOI and U via a systematic chemical substitution of the Ru4+(4d 4) ions for Ir4+(5d5) ions in BaIrO3, i.e., in high quality single crystals of BaIr1--x RuxO3(0.0 ≤ x ≤ 1.0). Our investigation of structural, magnetic, transport and thermal properties reveals that Ru substitution directly rebalances the competing energies so profoundly that it generates a rich phase diagram for BaIr 1--xRuxO 3 featuring two major effects: (1) Light Ru doping (0 ≤ x ≤ 0.15) prompts a simultaneous and precipitous drop in both the magnetic ordering temperature TC and the electrical resistivity, which exhibits metal-insulator transition at around TC. (2) Heavier Ru doping (0.41 ≤ x ≤ 0.82) induces a robust metallic and spin frustration state. For comparison and contrast, we also substituted Rh4+(4d 5) ions for Ir4+(5d5) ions in BaIrO3, i.e. in BaIr1--xRhxO 3(0.0 ≤ x ≤ 0.1), where Rh only reduces the SOI, but without altering the band filling. Hence, this system remains tuned at the Mott instability and is very susceptible to disorder scattering which gives rise to Anderson localization. KEYWORDS: spin-orbit interaction, heavy transition metal oxides

  12. Experimental evidence of high pressure decoupling between charge transport and structural dynamics in a protic ionic glass-former.

    Science.gov (United States)

    Wojnarowska, Z; Rams-Baron, M; Knapik-Kowalczuk, J; Połatyńska, A; Pochylski, M; Gapinski, J; Patkowski, A; Wlodarczyk, P; Paluch, M

    2017-08-01

    In this paper the relaxation dynamics of ionic glass-former acebutolol hydrochloride (ACB-HCl) is studied as a function of temperature and pressure by using dynamic light scattering and broadband dielectric spectroscopy. These unique experimental data provide the first direct evidence that the decoupling between the charge transport and structural relaxation exists in proton conductors over a wide T-P thermodynamic space, with the time scale of structural relaxation being constant at the liquid-glass transition (τ α  = 1000 s). We demonstrate that the enhanced proton transport, being a combination of intermolecular H + hopping between cation and anion as well as tautomerization process within amide moiety of ACB molecule, results in a breakdown of the Stokes-Einstein relation at ambient and elevated pressure with the fractional exponent k being pressure dependent. The dT g /dP coefficient, stretching exponent β KWW and dynamic modulus E a /ΔV # were found to be the same regardless of the relaxation processes studied. This is in contrast to the apparent activation volume parameter that is different when charge transport and structural dynamics are considered. These experimental results together with theoretical considerations create new ideas to design efficient proton conductors for potential electrochemical applications.

  13. Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors.

    Science.gov (United States)

    Schmaltz, Thomas; Gothe, Bastian; Krause, Andreas; Leitherer, Susanne; Steinrück, Hans-Georg; Thoss, Michael; Clark, Timothy; Halik, Marcus

    2017-09-26

    Self-assembled monolayer field-effect transistors (SAMFETs) are not only a promising type of organic electronic device but also allow detailed analyses of structure-property correlations. The influence of the morphology on the charge transport is particularly pronounced, due to the confined monolayer of 2D-π-stacked organic semiconductor molecules. The morphology, in turn, is governed by relatively weak van-der-Waals interactions and is thus prone to dynamic structural fluctuations. Accordingly, combining electronic and physical characterization and time-averaged X-ray analyses with the dynamic information available at atomic resolution from simulations allows us to characterize self-assembled monolayer (SAM) based devices in great detail. For this purpose, we have constructed transistors based on SAMs of two molecules that consist of the organic p-type semiconductor benzothieno[3,2-b][1]benzothiophene (BTBT), linked to a C 11 or C 12 alkylphosphonic acid. Both molecules form ordered SAMs; however, our experiments show that the size of the crystalline domains and the charge-transport properties vary considerably in the two systems. These findings were confirmed by molecular dynamics (MD) simulations and semiempirical molecular-orbital electronic-structure calculations, performed on snapshots from the MD simulations at different times, revealing, in atomistic detail, how the charge transport in organic semiconductors is influenced and limited by dynamic disorder.

  14. Structure-affinity relationship in the interactions of human organic anion transporter 1 with caffeine, theophylline, theobromine and their metabolites.

    Science.gov (United States)

    Sugawara, Mitsuru; Mochizuki, Takahiro; Takekuma, Yoh; Miyazaki, Katsumi

    2005-08-15

    It is well known that human organic anion transporter 1 (hOAT1) transports many kinds of drugs, endogenous compounds, and toxins. However, little is known about the structure-affinity relationship. The aim of this study was to elucidate the structure-affinity relationship using a series of structurally related compounds that interact with hOAT1. Inhibitory effects of xanthine- and uric acid-related compounds on the transport of p-aminohippuric acid were examined using CHO-K1 cells stably expressing hOAT1. The order of potency for the inhibitory effects of xanthine-related compounds on PAH uptake was 1-methyl derivative>7-methyl derivative>3-methyl derivative falling dotsxanthine>1,3,7-trimethyl derivative (caffeine). The order of potency of the inhibition was 1,3,7-trimethyluric acid>1,3-dimethyluric acid>1,7-dimethyluric acid>1-methyluric acid>uric acid. A significant correlation between inhibitory potency and lipophilicity of the tested uric acid-related compounds was observed. The main determinant of the affinity of xanthine-related compounds is the position of the methyl group. On the other hand, lipophilicity is the main determinant of the affinity of uric acid-related compounds.

  15. Probing Carrier Transport and Structure-Property Relationship of Highly Ordered Organic Semiconductors at the Two-Dimensional Limit.

    Science.gov (United States)

    Zhang, Yuhan; Qiao, Jingsi; Gao, Si; Hu, Fengrui; He, Daowei; Wu, Bing; Yang, Ziyi; Xu, Bingchen; Li, Yun; Shi, Yi; Ji, Wei; Wang, Peng; Wang, Xiaoyong; Xiao, Min; Xu, Hangxun; Xu, Jian-Bin; Wang, Xinran

    2016-01-08

    One of the basic assumptions in organic field-effect transistors, the most fundamental device unit in organic electronics, is that charge transport occurs two dimensionally in the first few molecular layers near the dielectric interface. Although the mobility of bulk organic semiconductors has increased dramatically, direct probing of intrinsic charge transport in the two-dimensional limit has not been possible due to excessive disorders and traps in ultrathin organic thin films. Here, highly ordered single-crystalline mono- to tetralayer pentacene crystals are realized by van der Waals (vdW) epitaxy on hexagonal BN. We find that the charge transport is dominated by hopping in the first conductive layer, but transforms to bandlike in subsequent layers. Such an abrupt phase transition is attributed to strong modulation of the molecular packing by interfacial vdW interactions, as corroborated by quantitative structural characterization and density functional theory calculations. The structural modulation becomes negligible beyond the second conductive layer, leading to a mobility saturation thickness of only ∼3  nm. Highly ordered organic ultrathin films provide a platform for new physics and device structures (such as heterostructures and quantum wells) that are not possible in conventional bulk crystals.

  16. Sucrose-Metabolizing Enzymes in Transport Tissues and Adjacent Sink Structures in Developing Citrus Fruit 1

    Science.gov (United States)

    Lowell, Cadance A.; Tomlinson, Patricia T.; Koch, Karen E.

    1989-01-01

    Juice tissues of citrus lack phloem; therefore, photosynthates enroute to juice sacs exit the vascular system on the surface of each segment. Areas of extensive phloem unloading and transport (vascular bundles + segment epidermis) can thus be separated from those of assimilate storage (juice sacs) and adjacent tissues where both processes occur (peel). Sugar composition, dry weight accumulation, and activities of four sucrose-metabolizing enzymes (soluble and cell-wall-bound acid invertase, alkaline invertase, sucrose synthase, and sucrose phosphate synthase) were measured in these transport and sink tissues of grapefruit (Citrus paradisi Macf.) to determine more clearly whether a given enzyme appeared to be more directly associated with assimilate transport versus deposition or utilization. Results were compared at three developmental stages. Activity of sucrose (per gram fresh weight and per milligram protein) extracted from zones of extensive phloem unloading and transport was significantly greater than from adjacent sink tissues during the stages (II and III) when juice sacs grow most rapidly. In stage II fruit, activity of sucrose synthase also significantly surpassed that of all other sucrose-metabolizing enzymes in extracts from the transport tissues (vascular bundles + segment epidermis). In contrast, sucrose phosphate synthase and alkaline invertase at this stage of growth were the most active enzymes from adjacent, rapidly growing, phloem-free sink tissues (juice sacs). Activity of these two enzymes in extracts from juice sacs was significantly greater than that form the transport tissues (vascular bundles + segment epidermis). Soluble acid invertase was the most active enzyme in extracts from all tissues of very young fruit (stage I), including nonvascular regions, but nearly disappeared prior to the onset of juice sac sugar accumulation. The physiological function of high sucrose synthase activity in the transport tissues during rapid sucrose import

  17. Transport phenomena

    International Nuclear Information System (INIS)

    Kirczenow, G.; Marro, J.

    1974-01-01

    Some simple remarks on the basis of transport theory. - Entropy, dynamics and scattering theory. - Response, relaxation and fluctuation. - Fluctuating hydrodynamics and renormalization of susceptibilities and transport coefficients. - Irreversibility of the transport equations. - Ergodic theory and statistical mechanics. - Correlation functions in Heisenberg magnets. - On the Enskog hard-sphere kinetic eqquation and the transport phenomena of dense simple gases. - What can one learn from Lorentz models. - Conductivity in a magnetic field. - Transport properties in gases in presence of external fields. - Transport properties of dilute gases with internal structure. (orig.) [de

  18. STRUCTURE AND FUNCTION OF SUBSURFACE MICROBIAL COMMUNITIES AFFECTING RADIONUCLIDE TRANSPORT AND BIOIMMOBILIZATION

    Energy Technology Data Exchange (ETDEWEB)

    Joel E. Kostka; Lee Kerkhof; Kuk-Jeong Chin; Martin Keller; Joseph W. Stucki

    2011-06-15

    The objectives of this project were to: (1) isolate and characterize novel anaerobic prokaryotes from subsurface environments exposed to high levels of mixed contaminants (U(VI), nitrate, sulfate), (2) elucidate the diversity and distribution of metabolically active metal- and nitrate-reducing prokaryotes in subsurface sediments, and (3) determine the biotic and abiotic mechanisms linking electron transport processes (nitrate, Fe(III), and sulfate reduction) to radionuclide reduction and immobilization. Mechanisms of electron transport and U(VI) transformation were examined under near in situ conditions in sediment microcosms and in field investigations at the Oak Ridge Field Research Center (ORFRC), in Oak Ridge, Tennessee, where the subsurface is exposed to mixed contamination predominated by uranium and nitrate. A total of 20 publications (16 published or 'in press' and 4 in review), 10 invited talks, and 43 contributed seminars/ meeting presentations were completed during the past four years of the project. PI Kostka served on one proposal review panel each year for the U.S. DOE Office of Science during the four year project period. The PI leveraged funds from the state of Florida to purchase new instrumentation that aided the project. Support was also leveraged by the PI from the Joint Genome Institute in the form of two successful proposals for genome sequencing. Draft genomes are now available for two novel species isolated during our studies and 5 more genomes are in the pipeline. We effectively addressed each of the three project objectives and research highlights are provided. Task I - Isolation and characterization of novel anaerobes: (1) A wide range of pure cultures of metal-reducing bacteria, sulfate-reducing bacteria, and denitrifying bacteria (32 strains) were isolated from subsurface sediments of the Oak Ridge Field Research Center (ORFRC), where the subsurface is exposed to mixed contamination of uranium and nitrate. These isolates which

  19. Soil-gas phase transport and structure parameters for soils under different management regimes and at two moisture levels

    DEFF Research Database (Denmark)

    Eden, Marie; Møldrup, Per; Schjønning, Per

    2012-01-01

    Measurements of diffusive and convective gas transport parameters can be used to describe soil functional architecture and reveal key factors for soil structure development. Undisturbed 100-cm(3) soil samples were sampled at the Long-term Research on Agricultural Systems experiment located...... displayed markedly lower D-P/D-0 values at similar air-filled porosity, illustrating soil structure effects on D-P/D-0. The Currie tortuosity-connectivity parameter, X=Log(D-P/D-0)/Log(epsilon), decreased with increasing bulk density in the intact samples at both moisture conditions, suggesting less...

  20. Effects of Electrode Distances on Geometric Structure and Electronic Transport Properties of Molecular 4,4'-Bipyridine Junction

    International Nuclear Information System (INIS)

    Li Zongliang; Zou Bin; Wang Chuankui; Luo Yi

    2006-01-01

    Influences of electrode distances on geometric structure of molecule and on electronic transport properties of molecular junctions have been investigated by means of a generalized quantum chemical approach based on the elastic scattering Green's function method. Numerical results show that, for organic molecule 4,4'-bipyridine, the geometric structure of the molecule especially the dihedral angle between the two pyridine rings is sensitive to the distances between the two electrodes. The currents of the molecular junction are taken nonlinearly increase with the increase of the bias. Shortening the distance of the metallic electrodes will result in stronger coupling and larger conductance

  1. Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1

    Directory of Open Access Journals (Sweden)

    Natesh Singh

    2018-04-01

    Full Text Available The large neutral amino acid transporter 1 (LAT1, or SLC7A5 is a sodium- and pH-independent transporter, which supplies essential amino acids (e.g., leucine, phenylalanine to cells. It plays an important role at the Blood–Brain Barrier (BBB where it facilitates the transport of thyroid hormones, pharmaceuticals (e.g., l-DOPA, gabapentin, and metabolites into the brain. Moreover, its expression is highly upregulated in various types of human cancer that are characterized by an intense demand for amino acids for growth and proliferation. Therefore, LAT1 is believed to be an important drug target for cancer treatment. With the crystallization of the arginine/agmatine antiporter (AdiC from Escherichia Coli, numerous homology models of LAT1 have been built to elucidate the substrate binding site, ligand–transporter interaction, and structure–function relationship. The use of these models in combination with molecular docking and experimental testing has identified novel chemotypes of ligands of LAT1. Here, we highlight the structure, function, transport mechanism, and homology modeling of LAT1. Additionally, results from structure–function studies performed on LAT1 are addressed, which have enhanced our knowledge of the mechanism of substrate binding and translocation. This is followed by a discussion on ligand- and structure-based approaches, with an emphasis on elucidating the molecular basis of LAT1 inhibition. Finally, we provide an exhaustive summary of different LAT1 inhibitors that have been identified so far, including the recently discovered irreversible covalent inhibitors.

  2. Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.

    Directory of Open Access Journals (Sweden)

    Justina C Wolters

    2010-04-01

    Full Text Available The ABC transporter OpuA from Lactococcus lactis transports glycine betaine upon activation by threshold values of ionic strength. In this study, the ligand binding characteristics of purified OpuA in a detergent-solubilized state and of its substrate-binding domain produced as soluble protein (OpuAC was characterized.The binding of glycine betaine to purified OpuA and OpuAC (K(D = 4-6 microM did not show any salt dependence or cooperative effects, in contrast to the transport activity. OpuAC is highly specific for glycine betaine and the related proline betaine. Other compatible solutes like proline and carnitine bound with affinities that were 3 to 4 orders of magnitude lower. The low affinity substrates were not noticeably transported by membrane-reconstituted OpuA. OpuAC was crystallized in an open (1.9 A and closed-liganded (2.3 A conformation. The binding pocket is formed by three tryptophans (Trp-prism coordinating the quaternary ammonium group of glycine betaine in the closed-liganded structure. Even though the binding site of OpuAC is identical to that of its B. subtilis homolog, the affinity for glycine betaine is 4-fold higher.Ionic strength did not affect substrate binding to OpuA, indicating that regulation of transport is not at the level of substrate binding, but rather at the level of translocation. The overlap between the crystal structures of OpuAC from L.lactis and B.subtilis, comprising the classical Trp-prism, show that the differences observed in the binding affinities originate from outside of the ligand binding site.

  3. The vertical structure of airflow turbulence characteristics within a boundary layer during wind blown sand transport over a beach

    Science.gov (United States)

    Lee, Z. S.; Baas, A. C.; Jackson, D.; Cooper, J. A.; Lynch, K.; Delgado-Fernandez, I.; Beyers, M.

    2010-12-01

    Recent studies have suggested the significant role of boundary layer turbulence and coherent flow structures on sand transport by wind over beaches and desert dunes. Widespread use of sonic anemometry and high-frequency sand transport sensors and traps have facilitated a move beyond the basic monitoring of shear velocities and bulk sediment transport to more detailed measurements at much higher spatio-temporal resolutions. In this paper we present results of a small-scale point-location field study of boundary layer turbulence and shear stresses conducted under obliquely onshore winds over a beach at Magilligan Strand, Northern Ireland. High-frequency (25 Hz) 3D wind vector measurements were collected at five different heights between 0.13 and 1.67 metres above the bed using sonic anemometry for durations of several hours, and the associated sand transport response was measured using an array of Safires. The wind data are used to investigate the vertical structure of Reynolds shear stresses and burst-sweep event characteristics, as well as a comparison with the standard logarithmic (law-of-the-wall) wind profile. The study explores the identification and selection of a characteristic event duration based on integral time-scales as well as spectral analysis, and includes an assessment of the issues involved with data rotations for yaw, pitch, and roll corrections relative to flow streamlines, and the subsequently derived turbulence parameters based on fluctuating vector components (u’, v’, w’). Results show how the contributions to shear stress and the average pitch of bursts and sweeps changes as a function of height above the bed, indicating the transformation of top-down turbulent eddies as they travel toward the surface. A comparison between the turbulence data and the synchronous sand transport events, meanwhile, reveals the potential effects of enhanced saltation layer roughness feedback on eddies close to the bed.

  4. Direct structural mapping of organic field-effect transistors reveals bottlenecks to carrier transport

    KAUST Repository

    Li, Ruipeng

    2012-08-10

    X-ray microbeam scattering is used to map the microstructure of the organic semiconductor along the channel length of solution-processed bottom-contact OFET devices. Contact-induced nucleation is known to influence the crystallization behavior within the channel. We find that microstructural inhomogeneities in the center of the channel act as a bottleneck to charge transport. This problem can be overcome by controlling crystallization of the preferable texture, thus favoring more efficient charge transport throughout the channel. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Direct structural mapping of organic field-effect transistors reveals bottlenecks to carrier transport

    KAUST Repository

    Li, Ruipeng; Ward, Jeremy W.; Smilgies, Detlef Matthias; Payne, Marcia M.; Anthony, John Edward; Jurchescu, Oana D.; Amassian, Aram

    2012-01-01

    X-ray microbeam scattering is used to map the microstructure of the organic semiconductor along the channel length of solution-processed bottom-contact OFET devices. Contact-induced nucleation is known to influence the crystallization behavior within the channel. We find that microstructural inhomogeneities in the center of the channel act as a bottleneck to charge transport. This problem can be overcome by controlling crystallization of the preferable texture, thus favoring more efficient charge transport throughout the channel. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Detecting the transport barriers in the Pearl River estuary, Southern China with the aid of Lagrangian coherent structures

    Science.gov (United States)

    Wei, Xing; Zhan, Haigang; Cai, Shuqun; Zhan, Weikang; Ni, Peitong

    2018-05-01

    Knowledge of horizontal transport pathways is important for the protection of the marine ecosystem in coastal areas. In this paper, we develop a 3D model to simulate hydrodynamics and particle transport in the Pearl River Estuary (PRE), Southern China, to study the barriers to transport in the PRE. Specifically, we use the flow velocity produced by the model to locate Lagrangian coherent structures (LCSs) hidden in ocean surface currents. Our findings show that a remarkable LCS begins upstream near the Humen inlet, extends to the Wanshan Islands via Neilingding Island, and can act as a transport barrier in the estuary. This LCS appeared 1-2 h after high tide and was persistent for 6-7 h during every ebb tide. Particles released on the west side of the LCS moved downstream, exited the estuary by Daxi Channel, and seldom spread to the east side, especially the Hong Kong Sea area. An analysis of several scenarios suggested that the formation of this LCS was due to topography restrictions and tidal forces.

  7. The use of the natural-gas pipeline infrastructure for hydrogen transport in a changing market structure

    International Nuclear Information System (INIS)

    Haeseldonckx, Dries; D'haeseleer, William

    2007-01-01

    In this paper, the transport and distribution aspects of hydrogen during the transition period towards a possible full-blown hydrogen economy are carefully looked at. Firstly, the energetic and material aspects of hydrogen transport through the existing natural-gas (NG) pipeline infrastructure is discussed. Hereby, only the use of centrifugal compressors and the short-term security of supply seem to constitute a problem for the NG to hydrogen transition. Subsequently, the possibility of percentwise mixing of hydrogen into the NG bulk is dealt with. Mixtures containing up to 17 vol% of hydrogen should not cause difficulties. As soon as more hydrogen is injected, replacement of end-use applications and some pipelines will be necessary. Finally, the transition towards full-blown hydrogen transport in (previously carrying) NG pipelines is treated. Some policy guidelines are offered, both in a regulated and a liberalised energy (gas) market. As a conclusion, it can be stated that the use of hydrogen-natural gas mixtures seems well suited for the transition from natural gas to hydrogen on a distribution (low pressure) level. However, getting the hydrogen gas to the distribution grid, by means of the transport grid, remains a major issue. In the end, the structure of the market, regulated or liberalised, turns out not to be important. (author)

  8. Transport of radionuclides by concentrated brine in a porous medium with micropore-macropore structure

    International Nuclear Information System (INIS)

    Hassanizadeh, S.M.

    1987-01-01

    This work concerns itself with the study of effects of soil aggregation and high salt concentrations on the transport of radionuclides by concentrated brine flowing through an aggregated porous medium. The medium is considered to be composed of porous rock aggregates separated by macropores through which the brine flows and transport of salt and radionuclides takes place. The aggregates contain dead-end pores, cracks, and stationary pockets collectively called micropores. The micropore space does not contribute to the flow, but it serves as a storage for salt and radionuclides. Adsorption of radionuclides takes place at internal surfaces of aggregates where they assume that a linear equilibrium isotherm describes the process. A one-dimensional numerical model is developed which is based on two sets of equations: one set for the flow and transport of salt and another set for transport of radionuclides. Results of numerical experiments clearly indicate that the existence of high salt concentrations markedly reduces the peak of nuclides concentration and slows down their movement. Also, it is found that diffusive mass exchange between macropores and aggregates results in a pronounced lowering of the radionuclides concentration peaks. 9 references, 7 figures

  9. Comprehensive training structure for the safe transport of radioactive materials in Switzerland

    International Nuclear Information System (INIS)

    Pfeiffer, H.J.; Smith, L.

    1993-01-01

    The introduction of the 1985 IAEA Regulations for the Safe Transport of Radioactive Materials into Swiss national dangerous goods transport regulations has induced significant changes to the national radiation protection regulations. The combination of these two sets of regulatory requirements has in turn given rise to a major expansion in the national training infrastructure for the safe transport of RAM material. The established nationally recognized courses for vehicle drivers in accordance with national and regional regulations is now supplemented by an IAEA level 2 course for managers and responsible persons with consignors and shippers. A new IAEA level 3 course specifically for inspectors carrying out inspections during shipment is planned to commence in 1993. National one day general information seminars on RAM transportation are now an established part of the training scenario in Switzerland. Commencing in 1992, annual two day seminars for supervising authority inspectors involved in organizational compliance assurance are planned. Experience to date for this significantly increased activity in training has been that of enthusiastic cooperation between all parties concerned. (J.P.N.)

  10. Structure-function analysis of peroxisomal ATP-binding cassette transporters using chimeric dimers

    NARCIS (Netherlands)

    Geillon, Flore; Gondcaille, Catherine; Charbonnier, Soëli; van Roermund, Carlo W.; Lopez, Tatiana E.; Dias, Alexandre M. M.; Pais de Barros, Jean-Paul; Arnould, Christine; Wanders, Ronald J.; Trompier, Doriane; Savary, Stéphane

    2014-01-01

    ABCD1 and ABCD2 are two closely related ATP-binding cassette half-transporters predicted to homodimerize and form peroxisomal importers for fatty acyl-CoAs. Available evidence has shown that ABCD1 and ABCD2 display a distinct but overlapping substrate specificity, although much remains to be learned

  11. Impact of urban structure on personal transportation in the context of a large Danish provincial city

    DEFF Research Database (Denmark)

    Nielsen, Thomas Alexander Sick

    2004-01-01

    This paper presents the results from a detailed study of the land use ? transport connection, with special emphasis on the location of residences, in the context of a larger Danish provincial city (the city of Aalborg with approx. 120.000 inhabitants, situated in North Jutland). The study was car...

  12. How historical copper contamination affects soil structure and mobilization and transport of colloids

    DEFF Research Database (Denmark)

    Paradelo, Marcos; Møldrup, Per; Holmstrup, Martin

    between 0.01 to 0.43 pore volumes, with longer times for the most contaminated point, likely related with its higher soil density and lower air permeability. The copper pollution affected colloid and tracer transport in the soil columns. The release of colloids especially in the most contaminated points...

  13. Study of heat transport in structured soil under grass cover. Dual-continuum approach

    Czech Academy of Sciences Publication Activity Database

    Votrubová, J.; Dohnal, M.; Tesař, Miroslav; Vogel, T.

    2011-01-01

    Roč. 13, - (2011), s. 7414 ISSN 1607-7962. [European Geosciences Union General Assembly 2011. 03.04.2011-08.04.2011, Vienna] R&D Projects: GA ČR GA205/08/1174 Institutional research plan: CEZ:AV0Z20600510 Keywords : water and heat transport * model S1D * Sumava Mts. Subject RIV: DA - Hydrology ; Limnology

  14. Structure and mechanism of Zn2+-transporting P-type ATPases

    DEFF Research Database (Denmark)

    Wang, Kaituo; Sitsel, Oleg; Meloni, Gabriele

    2014-01-01

    Zinc is an essential micronutrient for all living organisms. It is required for signalling and proper functioning of a range of proteins involved in, for example, DNA binding and enzymatic catalysis1. In prokaryotes and photosynthetic eukaryotes, Zn2+-transporting P-type ATPases of class IB (Znt...

  15. Tuning transport properties of graphene three-terminal structures by mechanical deformation

    Science.gov (United States)

    Torres, V.; Faria, D.; Latgé, A.

    2018-04-01

    Straintronic devices made of carbon-based materials have been pushed up due to the graphene high mechanical flexibility and the possibility of interesting changes in transport properties. Properly designed strained systems have been proposed to allow optimized transport responses that can be explored in experimental realizations. In multiterminal systems, comparisons between schemes with different geometries are important to characterize the modifications introduced by mechanical deformations, especially if the deformations are localized at a central part of the system or extended in a large region. Then, in the present analysis, we study the strain effects on the transport properties of triangular and hexagonal graphene flakes, with zigzag and armchair edges, connected to three electronic terminals, formed by semi-infinite graphene nanoribbons. Using the Green's function formalism with circular renormalization schemes, and a single band tight-binding approximation, we find that resonant tunneling transport becomes relevant and is more affected by localized deformations in the hexagonal graphene flakes. Moreover, triangular systems with deformation extended to the leads, like longitudinal three-folded type, are shown as an interesting scenario for building nanoscale waveguides for electronic current.

  16. Structure of the nucleotide-binding domain of a dipeptide ABC transporter reveals a novel iron-sulfur cluster-binding domain.

    Science.gov (United States)

    Li, Xiaolu; Zhuo, Wei; Yu, Jie; Ge, Jingpeng; Gu, Jinke; Feng, Yue; Yang, Maojun; Wang, Linfang; Wang, Na

    2013-02-01

    Dipeptide permease (Dpp), which belongs to an ABC transport system, imports peptides consisting of two or three L-amino acids from the matrix to the cytoplasm in microbes. Previous studies have indicated that haem competes with dipeptides to bind DppA in vitro and in vivo and that the Dpp system can also translocate haem. Here, the crystal structure of DppD, the nucleotide-binding domain (NBD) of the ABC-type dipeptide/oligopeptide/nickel-transport system from Thermoanaerobacter tengcongensis, bound with ATP, Mg(2+) and a [4Fe-4S] iron-sulfur cluster is reported. The N-terminal domain of DppD shares a similar structural fold with the NBDs of other ABC transporters. Interestingly, the C-terminal domain of DppD contains a [4Fe-4S] cluster. The UV-visible absorbance spectrum of DppD was consistent with the presence of a [4Fe-4S] cluster. A search with DALI revealed that the [4Fe-4S] cluster-binding domain is a novel structural fold. Structural analysis and comparisons with other ABC transporters revealed that this iron-sulfur cluster may act as a mediator in substrate (dipeptide or haem) binding by electron transfer and may regulate the transport process in Dpp ABC transport systems. The crystal structure provides a basis for understanding the properties of ABC transporters and will be helpful in investigating the functions of NBDs in the regulation of ABC transporter activity.

  17. Effects of interfacial Fe electronic structures on magnetic and electronic transport properties in oxide/NiFe/oxide heterostructures

    International Nuclear Information System (INIS)

    Liu, Qianqian; Chen, Xi; Zhang, Jing-Yan; Yang, Meiyin; Li, Xu-Jing; Jiang, Shao-Long; Liu, Yi-Wei; Cao, Yi; Wu, Zheng-Long; Feng, Chun; Ding, Lei; Yu, Guang-Hua

    2015-01-01

    Highlights: • The magnetic and transport properties of oxide/NiFe/oxide films were studied. • The oxide (SiO 2 , MgO and HfO 2 ) has different elemental electronegativity. • Redox reaction at different NiFe/oxide interface is dependent on the oxide layer. • Different interfacial electronic structures shown by XPS influence the properties. - Abstract: We report that the magnetic and electronic transport properties in oxide/NiFe(2 nm)/oxide film (oxide = SiO 2 , MgO or HfO 2 ) are strongly influenced by the electronic structure of NiFe/oxide interface. Magnetic measurements show that there exist magnetic dead layers in the SiO 2 sandwiched film and MgO sandwiched film, whereas there is no magnetic dead layer in the HfO 2 sandwiched film. Furthermore, in the ultrathin SiO 2 sandwiched film no magnetoresistance (MR) is detected, while in the ultrathin MgO sandwiched film and HfO 2 sandwiched film the MR ratios reach 0.35% and 0.88%, respectively. The investigation by X-ray photoelectron spectroscopy reveals that the distinct interfacial redox reactions, which are dependent on the oxide layers, lead to the variation of magnetic and transport properties in different oxide/NiFe/oxide heterostructures

  18. Resonant electronic transport through a triple quantum-dot with Λ-type level structure under dual radiation fields

    International Nuclear Information System (INIS)

    Guan, Chun; Xing, Yunhui; Zhang, Chao; Ma, Zhongshui

    2014-01-01

    Due to quantum interference, light can transmit through dense atomic media, a phenomenon known as electromagnetically induced transparency (EIT). We propose that EIT is not limited to light transmission and there is an electronic analog where resonant transparency in charge transport in an opaque structure can be induced by electromagnetic radiation. A triple-quantum-dots system with Λ-type level structure is generally opaque due to the level in the center dot being significantly higher and therefore hopping from the left dot to the center dot is almost forbidden. We demonstrate that an electromagnetically induced electron transparency (EIET) in charge of transport can indeed occur in the Λ-type system. The direct evidence of EIET is that an electron can travel from the left dot to the right dot, while the center dot apparently becomes invisible. We analyze EIET and the related shot noise in both the zero and strong Coulomb blockade regimes. It is found that the EIET (position, height, and symmetry) can be tuned by several controllable parameters of the radiation fields, such as the Rabi frequencies and detuning frequencies. The result offers a transparency/opaque tuning technique in charge transport using interfering radiation fields

  19. Label-free nanoscale characterization of red blood cell structure and dynamics using single-shot transport of intensity equation

    Science.gov (United States)

    Poola, Praveen Kumar; John, Renu

    2017-10-01

    We report the results of characterization of red blood cell (RBC) structure and its dynamics with nanometric sensitivity using transport of intensity equation microscopy (TIEM). Conventional transport of intensity technique requires three intensity images and hence is not suitable for studying real-time dynamics of live biological samples. However, assuming the sample to be homogeneous, phase retrieval using transport of intensity equation has been demonstrated with single defocused measurement with x-rays. We adopt this technique for quantitative phase light microscopy of homogenous cells like RBCs. The main merits of this technique are its simplicity, cost-effectiveness, and ease of implementation on a conventional microscope. The phase information can be easily merged with regular bright-field and fluorescence images to provide multidimensional (three-dimensional spatial and temporal) information without any extra complexity in the setup. The phase measurement from the TIEM has been characterized using polymeric microbeads and the noise stability of the system has been analyzed. We explore the structure and real-time dynamics of RBCs and the subdomain membrane fluctuations using this technique.

  20. Structure and magnetic transport properties of GdIn{sub 3−x}Mn{sub x} intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    He, Qiang; Guo, Yongquan, E-mail: yqguo@ncepu.edu.cn; Liu, Hanyuan

    2016-03-01

    The crystal structures and magneto-transport properties of GdIn{sub 3−x}Mn{sub x} have been investigated using X-ray diffraction and magnetic and electric measurements. GdIn{sub 3−x}Mn{sub x} crystallize in cubic structure, and their lattice parameters tend to decrease with increasing Mn content due to the size effect at In site by Mn substitution for In. Mn doped GdIn{sub 3−x}Mn{sub x} order antiferromagnetically at low temperature. However, Mn doping into GdIn{sub 3} causes the decrease of Néel temperature due to the distortion of Gd(In,Mn){sub 3} tetrahedron formed by Gd at corners and (In,Mn) at face centers in unit cell. The resistivities of GdIn{sub 3−x}Mn{sub x} are going up with increasing Mn content. The electric phase transition is associated with the magnetic transition, and the magneto-transport follows electron–magnon scattering model in low temperature region and the Stoner spin fluctuation model in high temperature region, respectively. - Highlights: • Novel GdIn{sub 3−x}Mn{sub x} intermetallic compounds have been successfully prepared. • The lattice parameters tend to decrease with increasing Mn content. • GdIn{sub 3−x}Mn{sub x} orders antiferromagnetically at low temperature. • The strong correlation between the electric transport and magnetic state is observed.

  1. Literature Review and Assessment of Nanotechnology for Sensing of Timber Transportation Structures Final Report

    Science.gov (United States)

    Terry Wipf; Brent M. Phares; Micheal Ritter

    2012-01-01

    Recently efforts have been put toward the development of civil structures that have embedded sensors and on-board data processing capabilities, typically termed “smart structures.” The fusion of these smart technologies into infrastructures is intended to give bridge owners/managers better and more timely information on how structures are behaving and when they need...

  2. Fibonacci quasiregular graphene-based superlattices: Quasiperiodicity and its effects on the transmission, transport and electronic structure properties

    Energy Technology Data Exchange (ETDEWEB)

    García-Cervantes, H.; Madrigal-Melchor, J.; Martínez-Orozco, J.C.; Rodríguez-Vargas, I., E-mail: isaac@fisica.uaz.edu.mx

    2015-12-01

    We study the transmission, transport and electronic structure properties of aperiodic Fibonacci monolayer graphene-based structures (AFGBSs). The transfer matrix method has been implemented to obtain the transmittance, linear-regime conductance and electronic structure. In particular, we have studied two types of aperiodic graphene-based structures: (1) electrostatic AFGBSs (EAFGBSs), structures formed with electrostatic potentials, and (2) substrate AFGBSs (SAFGBSs), obtained alternating substrates that can open and non-open, such as SiC and SiO{sub 2}, an energy bandgap on graphene. We have found that the transmission properties can be modulated readily by changing the main parameters of the systems: well and barrier widths, energy and angle of incident electrons and the degree of aperiodicity. In the case of the linear-regime conductance turns out that it diminishes various orders of magnitude increasing the barrier width for SAFGBSs. On the contrary, Klein tunneling sustains the conductance in EAFGBSs. Calculating the electronic structure or miniband-structure formation and its fragmentation we establish a direct connection between the conductance peaks and the opening, closure and degeneration of energy minibands for both EAFGSLs and SAFGSLs.

  3. Structural, magnetic and transport studies of Mn0.8Cr0.2CoGe alloy

    Science.gov (United States)

    Das, S. C.; Dutta, P.; Pramanick, S.; Chatterjee, S.

    2018-04-01

    Different physical and functional properties of Mn0.8Cr0.2CoGe alloy has been investigated through structural, magnetic and electrical transport measurements. Substitution of Cr for Mn results significant decrease in both structural and magnetic transition temperature and brings them well below the room temperature. A reasonable amount of conventional magnetocaloric effect (ΔS˜ - 2.22 J/kg-K for magnetic field (H) changing from 0 to 50 kOe) with large relative cooling power (251.7 J/kg for H changing from 0 to 50 kOe) has also been observed around the region of transition. On thermal cycling through the structural transition, noticeable training effect is found to be associated with the resistivity of the alloy.

  4. Circumpolar Deep Water transport and current structure at the Amundsen Sea shelf break

    Science.gov (United States)

    Assmann, Karen M.; Wåhlin, Anna K.; Heywood, Karen J.; Jenkins, Adrian; Kim, Tae Wan; Lee, Sang Hoon

    2017-04-01

    The West Antarctic Ice Sheet has been losing mass at an increasing rate over the past decades. Ocean heat transport to the ice-ocean interface has been identified as an important contributor to this mass loss and the role it plays in ice sheet stability makes it crucial to understand its drivers in order to make accurate future projections of global sea level. While processes closer to the ice-ocean interface modulate this heat transport, its ultimate source is located in the deep basin off the continental shelf as a core of relatively warm, salty water underlying a colder, fresher shallow surface layer. To reach the marine terminating glaciers and the base of floating ice shelves, this warm, salty water mass must cross the bathymetric obstacle of the shelf break. Glacial troughs that intersect the Amundsen shelf break and deepen southwards towards the ice shelf fronts have been shown to play an important role in transporting warm, salty Circumpolar Deep Water (CDW) towards the ice shelves. North of the shelf break, circulation in the Amundsen Sea occupies an intermediate regime between the eastward Antarctic Circumpolar Current that impinges on the shelf break in the Bellingshausen Sea and the westward southern limb of the Ross Gyre that follows the shelf break in the Ross Sea. Hydrographic and mooring observations and numerical model results at the mouth of the central shelf break trough leading to Pine Island and Thwaites Glaciers show a westward wind-driven shelf break current overlying an eastward undercurrent that turns onto the shelf in the trough. It is thought that the existence of the latter feature facilitates the on-shelf transport of CDW. A less clearly defined shelf break depression further west acts as the main pathway for CDW to Dotson and eastern Getz Ice shelves. Model results indicate that a similar eastward undercurrent exists here driving the on-shelf transport of CDW. Two moorings on the upper slope east of the trough entrance show a

  5. The Integration of a Structural Water Gas Shift Catalyst with a Vanadium Alloy Hydrogen Transport Device

    Energy Technology Data Exchange (ETDEWEB)

    Barton, Thomas; Argyle, Morris; Popa, Tiberiu

    2009-06-30

    This project is in response to a requirement for a system that combines water gas shift technology with separation technology for coal derived synthesis gas. The justification of such a system would be improved efficiency for the overall hydrogen production. By removing hydrogen from the synthesis gas stream, the water gas shift equilibrium would force more carbon monoxide to carbon dioxide and maximize the total hydrogen produced. Additional benefit would derive from the reduction in capital cost of plant by the removal of one step in the process by integrating water gas shift with the membrane separation device. The answer turns out to be that the integration of hydrogen separation and water gas shift catalysis is possible and desirable. There are no significant roadblocks to that combination of technologies. The problem becomes one of design and selection of materials to optimize, or at least maximize performance of the two integrated steps. A goal of the project was to investigate the effects of alloying elements on the performance of vanadium membranes with respect to hydrogen flux and fabricability. Vanadium was chosen as a compromise between performance and cost. It is clear that the vanadium alloys for this application can be produced, but the approach is not simple and the results inconsistent. For any future contracts, large single batches of alloy would be obtained and rolled with larger facilities to produce the most consistent thin foils possible. Brazing was identified as a very likely choice for sealing the membranes to structural components. As alloying was beneficial to hydrogen transport, it became important to identify where those alloying elements might be detrimental to brazing. Cataloging positive and negative alloying effects was a significant portion of the initial project work on vanadium alloying. A water gas shift catalyst with ceramic like structural characteristics was the second large goal of the project. Alumina was added as a

  6. Capillary transport of water through textile-reinforced concrete applied in repairing and/or strengthening cracked RC structures

    International Nuclear Information System (INIS)

    Lieboldt, M.; Mechtcherine, V.

    2013-01-01

    The use of textile-reinforced concrete (TRC) has great potential for innovative solutions in repairing, protecting, and strengthening concrete and RC structures. The article at hand reports on an investigation on composite concrete specimens made of cracked ordinary concrete as substrate and textile-reinforced concrete (TRC) as a cover layer for its strengthening and repair. The TRC cover layer was assessed with regard to its effectiveness as a protective layer against the ingress of water through capillary action. Since in real applications such TRC layers may be cracked or presumed to be so, thereby activating the load-carrying function of the textile reinforcement, the TRC layer was cracked for purposes of this study. The water transport in the cracked ordinary concrete specimens without the TRC layer was used as a reference. Gravimetric measurements and neutron radiography served as the testing techniques. In ordinary concrete quick and deep ingress of water through relatively wide macro-cracks of approximately 100 μm width, followed by transport through the capillary pore system, caused saturation of large areas in a rather short time. TRC applied to the RC surface reduced the ingress of water to a large extent. Its small crack widths of 15 to 20 μm changed suction behaviour fundamentally. In the cracked substrate of ordinary concrete, capillary suction was prevented, and transport through the pore system of the matrix became the prevailing transport mechanism of capillary action. Not only was the mechanism altered, but the transport of water deep into inner regions was markedly retarded as well

  7. Observations of Scour and Transport at Coastal Structures from the 2011 Tohoku Tsunami - Implications for Flow in Natural Terrain

    Science.gov (United States)

    Petroff, C. M.

    2011-12-01

    Before the March 11, 2011 Tohoku tsunami, many communities along the Japan coast had shore protection barriers, some designed specifically to provide protection from tsunamis and others for typhoon and storm surge protection. A vast number of these structures were overtopped, damaged or destroyed by the high inundation and currents generated in the tsunami. Observations are presented about scour features at man-made coastal structures in the Tohoku region as well as the hydraulic transport of debris from these structures. Along with providing lessons for structure design and maintenance, these observations have implications for hydraulic transport in natural terrain, not only at hard points such as rock outcrops but also at other features such as river mouths, barrier islands and coastal dunes. As an example, Photo 1 shows the overtopping flow at the seawall at Noda, in the Iwate prefecture. From the point of view of hydraulics the type of flow seen in the photo is more like that at an in-line weir or spillway than the wave conditions for which the structure was designed. On the lee or downstream side of such structures, the flow is supercritical resulting in a supercritical to subcritical transition near the landward toe of the seawall. High flow velocities along with increased pore pressure and overturning flow create very deep scour in these locations Such as the zone clearly seen in Photo 2 behind the seawall at the Sendai airport. It is anticipated that similar hydraulic conditions would occur for flow over a high coastal dune ridge where the ridge would act as a flow control point and locally high velocities on the landward side of the ridge would result in high erosion and scour. Other examples are given.

  8. High temperature structural design and R and Ds for heat transport system components of FBR 'Monju'

    International Nuclear Information System (INIS)

    Sumikawa, Masaharu; Nakagawa, Yukio; Fukuda, Yoshio; Sukegawa, Masayuki; Ishizaki, Tairo.

    1980-01-01

    The machines and equipments of cooling system for the fast breeder prototype reactor ''Monju'' are operated in creep temperature region, and the upper limit temperature to apply the domestic structural design standard for nuclear machines and equipment is exceeded, therefore the guideline for high temperature structural design is being drawn up, reflecting the results of recent research and development, by the Power Reactor and Nuclear Fuel Development Corp. and others. In order to obtain the basic data for the purpose, the tests on the high temperature characteristics of main structural members and structural elements were carried out, and eight kinds of the inelastic structural analysis program ''HI-EPIC'' series were developed, thus the fundamental technologies of structural desigh in non-linear region were established. Also in the non-linear region, enormous physical quantities must be evaluated, and in the design method based on real elastic analysis, many design diagrams must be employed, therefore for the purpose of improving the reliability of evaluation, the automatic evaluation program ''HI-TEP'' was developed, and preparation has been made for the design of actual machines. The high temperature structural design in ''Monju'', the development of inelastic structural analysis program and high temperature structural analysis evaluation program, and the development of high temperature structures and materials are described. (Kako, I.)

  9. Transport velocity transformation - A convenient method for performance analysis of multilayer solar cell structure

    Science.gov (United States)

    Wolf, M.

    1981-01-01

    It is noted that in the case of low-level injection, space-charge quasi-neutrality, and spatially constant material parameters (including an electrostatic field), the individual layer can be treated analytically and the basic solar cell performance parameters can be evaluated from three equations. The first equation represents the transformation of the transport velocity across the layer from the other layer boundary. The second establishes the light-generated current output from the layer interface, under the influence of the transport velocities and minority-carrier density at both layer boundaries and of bulk recombination. The third equation describes the flow of these carriers across other layers. The power of the approach is considered to lie in its facility for analysis of the solar cell's performance layer by layer, giving a clear picture of the individual layer's influence on cell efficiency.

  10. Edge transport and mode structure of a QCM-like fluctuation driven by the Shoelace antenna

    Science.gov (United States)

    Golfinopoulos, T.; LaBombard, B.; Brunner, D.; Terry, J. L.; Baek, S. G.; Ennever, P.; Edlund, E.; Han, W.; Burke, W. M.; Wolfe, S. M.; Irby, J. H.; Hughes, J. W.; Fitzgerald, E. W.; Granetz, R. S.; Greenwald, M. J.; Leccacorvi, R.; Marmar, E. S.; Pierson, S. Z.; Porkolab, M.; Vieira, R. F.; Wukitch, S. J.; The Alcator C-Mod Team

    2018-05-01

    The Shoelace antenna was built to drive edge fluctuations in the Alcator C-Mod tokamak, matching the wavenumber (k\\perp≈1.5 cm‑1) and frequency (30≲ f ≲ 200 kHz) of the quasi-coherent mode (QCM), which is responsible for regulating transport across the plasma boundary in the steady-state, ELM-free Enhanced D α (EDA) H-mode. Initial experiments in 2012 demonstrated that the antenna drove a resonant response in the edge plasma in steady-state EDA and transient, non-ELMy H-modes, but transport measurements were unavailable. In 2016, the Shoelace antenna was relocated to enable direct measurements of driven transport by a reciprocating Mirror Langmuir Probe, while also making available gas puff imaging and reflectometer data to provide additional radial localization of the driven fluctuation. This new data suggests a  ∼4 mm-wide mode layer centered on or just outside the separatrix. Fluctuations coherent with the antenna produced a radial electron flux with {Γ_e}/{n_e}∼4 m s‑1 in EDA H-mode, smaller than but comparable to the QCM level. But in transient ELM-free H-mode, {Γ_e}/{n_e} was an order of magnitude smaller, and driven fluctuations reduced by a factor of ≳ 3. The driven mode is quantitatively similar to the intrinsic QCM across measured spectral quantities, except that it is more coherent and weaker. This work informs the prospect of achieving control of edge transport by direct coupling to edge modes, as well as the use of such active coupling for diagnostic purposes.

  11. Raising Climate Finance from International Transport Sectors. Identification and Analysis of Governance Structures

    Energy Technology Data Exchange (ETDEWEB)

    Faber, J. [CE Delft, Delft (Netherlands); Pahuja, N.; Garg, A. [The Energy and Resources Institute TERI, New Delhi (India)

    2012-03-15

    Market based instruments (MBIs) for maritime transport have the potential to reduce emissions while at the same time raising funds for climate policies in developing countries. GHG emissions from international aviation and maritime transport accounted for approximately 5% of global anthropogenic emissions in 2005 and are rising rapidly. There is a clear need to address these emissions in order not to undermine policies for mitigating land based emissions. Developing countries need financial support to carry out climate policies, both adaptation and mitigation. The UN Framework Convention on Climate Change (UNFCCC) makes policies by developing countries conditional on climate finance. In the current economic and financial circumstances, there is a need for new sources of finance. The governance of such MBIs should ensure that they are neither an international tax nor require hypothecation of fiscal revenues, while they should provide new and additional finance. MBIs which are in fact an international tax would not be politically feasible, and likewise hypothecation would be opposed by many states. This report finds that an emissions trading scheme (ETS) can satisfy these criteria, provided that: (1) it transfers a share of allowances directly to developing countries in order to ensure there is no net incidence on them; developing countries could auction these allowances in order to raise revenue; (2) it transfers allowances to the Green Climate Fund to support climate policies; auctioning these allowances would provide revenues for the Fund; (3) it transfers allowances to IMO or another organisation in order to finance fuel-efficiency improvements in international transport.

  12. A fully resolved fluid-structure-muscle-activation model for esophageal transport

    Science.gov (United States)

    Kou, Wenjun; Bhalla, Amneet P. S.; Griffith, Boyce E.; Johnson, Mark; Patankar, Neelesh A.

    2013-11-01

    Esophageal transport is a mechanical and physiological process that transfers the ingested food bolus from the pharynx to the stomach through a multi-layered esophageal tube. The process involves interactions between the bolus, esophageal wall composed of mucosal, circular muscle (CM) and longitudinal muscle (LM) layers, and neurally coordinated muscle activation including CM contraction and LM shortening. In this work, we present a 3D fully-resolved model of esophageal transport based on the immersed boundary method. The model describes the bolus as a Newtonian fluid, the esophageal wall as a multi-layered elastic tube represented by springs and beams, and the muscle activation as a traveling wave of sequential actuation/relaxation of muscle fibers, represented by springs with dynamic rest lengths. Results on intraluminal pressure profile and bolus shape will be shown, which are qualitatively consistent with experimental observations. Effects of activating CM contraction only, LM shortening only or both, for the bolus transport, are studied. A comparison among them can help to identify the role of each type of muscle activation. The support of grant R01 DK56033 and R01 DK079902 from NIH is gratefully acknowledged.

  13. Influence of root-water-uptake parameterization on simulated heat transport in a structured forest soil

    Science.gov (United States)

    Votrubova, Jana; Vogel, Tomas; Dohnal, Michal; Dusek, Jaromir

    2015-04-01

    Coupled simulations of soil water flow and associated transport of substances have become a useful and increasingly popular tool of subsurface hydrology. Quality of such simulations is directly affected by correctness of its hydraulic part. When near-surface processes under vegetation cover are of interest, appropriate representation of the root water uptake becomes essential. Simulation study of coupled water and heat transport in soil profile under natural conditions was conducted. One-dimensional dual-continuum model (S1D code) with semi-separate flow domains representing the soil matrix and the network of preferential pathways was used. A simple root water uptake model based on water-potential-gradient (WPG) formulation was applied. As demonstrated before [1], the WPG formulation - capable of simulating both the compensatory root water uptake (in situations when reduced uptake from dry layers is compensated by increased uptake from wetter layers), and the root-mediated hydraulic redistribution of soil water - enables simulation of more natural soil moisture distribution throughout the root zone. The potential effect on heat transport in a soil profile is the subject of the present study. [1] Vogel T., M. Dohnal, J. Dusek, J. Votrubova, and M. Tesar. 2013. Macroscopic modeling of plant water uptake in a forest stand involving root-mediated soil-water redistribution. Vadose Zone Journal, 12, 10.2136/vzj2012.0154. The research was supported by the Czech Science Foundation Project No. 14-15201J.

  14. Development of a Monte Carlo software to photon transportation in voxel structures using graphic processing units

    International Nuclear Information System (INIS)

    Bellezzo, Murillo

    2014-01-01

    As the most accurate method to estimate absorbed dose in radiotherapy, Monte Carlo Method (MCM) has been widely used in radiotherapy treatment planning. Nevertheless, its efficiency can be improved for clinical routine applications. In this thesis, the CUBMC code is presented, a GPU-based MC photon transport algorithm for dose calculation under the Compute Unified Device Architecture (CUDA) platform. The simulation of physical events is based on the algorithm used in PENELOPE, and the cross section table used is the one generated by the MATERIAL routine, also present in PENELOPE code. Photons are transported in voxel-based geometries with different compositions. There are two distinct approaches used for transport simulation. The rst of them forces the photon to stop at every voxel frontier, the second one is the Woodcock method, where the photon ignores the existence of borders and travels in homogeneous fictitious media. The CUBMC code aims to be an alternative of Monte Carlo simulator code that, by using the capability of parallel processing of graphics processing units (GPU), provide high performance simulations in low cost compact machines, and thus can be applied in clinical cases and incorporated in treatment planning systems for radiotherapy. (author)

  15. Effect of spin-orbit interactions on the structural stability, thermodynamic properties, and transport properties of lead under pressure

    Science.gov (United States)

    Smirnov, N. A.

    2018-03-01

    The paper investigates the role of spin-orbit interaction in the prediction of structural stability, lattice dynamics, elasticity, thermodynamic and transport properties (electrical resistivity and thermal conductivity) of lead under pressure with the FP-LMTO (full-potential linear-muffin-tin orbital) method for the first-principles band structure calculations. Our calculations were carried out for three polymorphous lead modifications (fcc, hcp, and bcc) in generalized gradient approximation with the exchange-correlation functional PBEsol. They suggest that compared to the scalar-relativistic calculation, the account for the SO effects insignificantly influences the compressibility of Pb. At the same time, in the calculation of phonon spectra and transport properties, the role of SO interaction is important, at least, for P ≲150 GPa. At higher pressures, the contribution from SO interaction reduces but not vanishes. As for the relative structural stability, our studies show that SO effects influence weakly the pressure of the fcc →hcp transition and much higher the pressure of the hcp →bcc transition.

  16. Structure and transport properties of the electronically correlated thiospinel CuV2S4

    International Nuclear Information System (INIS)

    Horny, R.

    2005-01-01

    This work deals with the single crystal growth and the characterization of crystallographic, magnetic and mainly electronic transport properties of the metallic thiospinel CuV 2 S 4 , which is isostructural and isoelectronic to the heavy fermion system LiV 2 O 4 . Former reports of an enhanced Sommerfeld-coefficient of the specific heat indicated that electronic correlations are present in CuV 2 S 4 as well. Additionally CuV 2 S 4 shows a phase transition at 90 K, which has been associated with the formation of a charge density wave (CDW), whose propagation vector changes its length at two additional phase transitions close to 75 K and 55 K. The formation of a CDW is a typical low dimensional order phenomenon and very unusual for a three dimensional system with a cubic crystal symmetry in the high temperature phase. An additional motivation for the efforts to grow single crystals of this compound was a sample dependency which seemed to correlate with the type of transport agent (iodine or chlorine) used in the chemical transport reaction as the preferred preparation procedure for the single crystal growth. Due to the direct comparison of single crystals grown by both types of transport agents it could be shown that a very low concentration of chlorine is the origin for the almost complete suppression of the phase transitions in the corresponding type of single crystals. The strong sensitivity of the CDW-formation to disorder is also reflected by the huge increase of the residual resistivity ratio of more than one order of magnitude which could only be achieved by annealing procedures in the case of single crystals grown with iodine as transport agent. The high quality of the samples allowed for the first time to detect all three phase transition signatures in resistivity measurements. Their almost identical temperature dependence as a function of external hydrostatic pressure emphasizes their common physical origin. The coefficient of the T 2 behavior of the

  17. Quantitative Analysis of Major Factors Affecting Black Carbon Transport and Concentrations in the Unique Atmospheric Structures of Urban Environment

    Science.gov (United States)

    Liang, Marissa Shuang

    Black carbon (BC) from vehicular emission in transportation is a principal component of particulate matters ≤ 2.5 mum (PM2.5). PM2.5 and other diesel emission pollutants (e.g., NOx) are regulated by the Clean Air Act (CAA) according to the National Ambient Air Quality standards (NAAQS). This doctoral dissertation details a study on transport behaviors of black carbon and PM2.5 from transportation routes, their relations with the atmospheric structure of an urban formation, and their relations with the use of biodiesel fuels. The results have implications to near-road risk assessment and to the development of sustainable transportation solutions in urban centers. The first part of study quantified near-roadside black carbon transport as a function of particulate matter (PM) size and composition, as well as microclimatic variables (temperature and wind fields) at the interstate highway I-75 in northern Cincinnati, Ohio. Among variables examined, wind speed and direction significantly affect the roadside transport of black carbon and hence its effective emission factor. Observed non-Gaussian dispersion occurred during low wind and for wind directions at acute angles or upwind to the receptors, mostly occurring in the morning hours. Meandering of air pollutant mass under thermal inversion is likely the driving force. In contrary, Gaussian distribution predominated in daytime of strong downwinds. The roles of urban atmospheric structure, wind fields, and the urban heat island (UHI) effects were further examined on pollutant dispersion and transport. Spatiotemporal variations of traffic flow, atmospheric structure, ambient temperature and PM2.5 concentration data from 14 EPA-certified NAAQS monitoring stations, were analyzed in relation to land-use in the Cincinnati metropolitan area. The results show a decade-long UHI effects with higher interior temperature than that in exurban, and a prominent nocturnal thermal inversion frequent in urban boundary layer. The

  18. Electronic band structure, magnetic, transport and thermodynamic properties of In-filled skutterudites InxCo4Sb12

    International Nuclear Information System (INIS)

    Leszczynski, J; Da Ros, V; Lenoir, B; Dauscher, A; Candolfi, C; Masschelein, P; Hejtmanek, J; Kutorasinski, K; Tobola, J; Smith, R I; Stiewe, C; Müller, E

    2013-01-01

    The thermoelectric and thermodynamic properties of polycrystalline In x Co 4 Sb 12 (0.0 ⩽ x ⩽ 0.26) skutterudites were investigated and analysed between 2 and 800 K by means of electrical resistivity, thermopower, thermal conductivity and specific heat measurements. Hall effect, sound velocity and thermal expansion measurements were also made in order to gain insights into the transport and elastic properties of these compounds. The impact of the In filling on the crystal structure as well as the thermal dynamics of the In atoms were tracked down to 4 K using powder neutron diffraction experiments. Analyses of the transport data were compared with the evolution of the electronic band structure with x determined theoretically within the Korringa–Kohn–Rostoker method with the coherent potential approximation. These calculations indicate that In gives rise to a remarkably large p-like density of states located at the conduction band edge. The electrical properties show typical trends of heavily doped semiconductors regardless of the In content. The thermal transport in CoSb 3 is strongly influenced by the presence of In in the voids of the crystal structure resulting in a drop in the lattice thermal conductivity values in the whole temperature range. The low value of the Grüneisen parameter suggests that this decrease mainly originates from enhanced mass-fluctuations and point-defect scattering mechanisms. The highest thermoelectric figure of merit ZT ∼ 1.0 at 750 K was achieved at the maximum In filling fraction, i.e. for x = 0.26. (paper)

  19. Electron transport in unipolar InGaN/GaN multiple quantum well structures grown by NH3 molecular beam epitaxy

    KAUST Repository

    Browne, David A.; Mazumder, Baishakhi; Wu, Yuh-Renn; Speck, James S.

    2015-01-01

    on electron transport through quantum well active regions. These unipolar structures served as a test vehicle to test our 2D model of the effect of compositional fluctuations on polarization-induced barriers. Variables that were systematically studied included

  20. Interrelationship between structural, optical and transport properties of InP.sub.1-x./sub.Bi.sub.x./sub.: DFT approach

    Czech Academy of Sciences Publication Activity Database

    Khan, S.A.; Azam, S.; Šipr, Ondřej

    2016-01-01

    Roč. 41, Jan (2016), 45-53 ISSN 1369-8001 Institutional support: RVO:68378271 Keywords : electronic structure * optical properties * transport properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.359, year: 2016

  1. Water retention, gas transport, and pore network complexity during short-term regeneration of soil structure

    DEFF Research Database (Denmark)

    Arthur, Emmanuel; Møldrup, Per; Schjønning, Per

    2013-01-01

    mm sieved) samples of varying clay mineralogy (illite, kaolinite, and smectite) amended with organic material (7.5 t ha–1). Also, the newly-formed structure was compared with that of sieved repacked (SR) and natural intact samples. Assessment and comparison of structure complexity and organization....... The proportion of pores > 100 1m increased in order: smectite

  2. Trimmed simulation of a transport aircraft using fluid-structure coupling

    NARCIS (Netherlands)

    Michler, A.K.; Dwight, R.P.; Heinrich, R.

    2009-01-01

    The accurate prediction of the aerodynamic coefficients under cruise conditions is of major importance for assessing the aircraft’s fuel consumption. To this end, fluid dynamics, structural mechanics and flight mechanics have to be considered: on the one hand, the structure elastically deforms under

  3. Structural basis of small-molecule inhibition of human multidrug transporter ABCG2

    DEFF Research Database (Denmark)

    Jackson, Scott M; Manolaridis, Ioannis; Kowal, Julia

    2018-01-01

    requires high-resolution structural insight. Here, we present cryo-EM structures of human ABCG2 bound to synthetic derivatives of the fumitremorgin C-related inhibitor Ko143 or the multidrug resistance modulator tariquidar. Both compounds are bound to the central, inward-facing cavity of ABCG2, blocking...

  4. The structural basis for peptide selection by the transport receptor OppA

    NARCIS (Netherlands)

    Berntsson, Ronnie P-A; Doeven, Mark K.; Fusetti, Fabrizia; Duurkens, Ria H.; Sengupta, Durba; Marrink, Siewert-Jan; Thunnissen, Andy-Mark W. H.; Poolman, Bert; Slotboom, Dirk-Jan

    2009-01-01

    Oligopeptide-binding protein A (OppA) from Lactococcus lactis binds peptides of an exceptionally wide range of lengths (4-35 residues), with no apparent sequence preference. Here, we present the crystal structures of OppA in the open-and closed-liganded conformations. The structures directly explain

  5. Allosteric Binding in the Serotonin Transporter - Pharmacology, Structure, Function and Potential Use as a Novel Drug Target

    DEFF Research Database (Denmark)

    Loland, Claus J.; Sanchez, Connie; Plenge, Per

    2017-01-01

    The serotonin transporter (SERT) is an important drug target and the majority of currently used antidepressants are potent inhibitors of SERT, binding primarily to the substrate binding site. However, even though the existence of an allosteric modulator site was realized more than 30 years ago......, the research into this mechanism is still in its early days. The current knowledge about the allosteric site with respect to pharmacology, structure and function, and pharmacological tool compounds, is reviewed and a perspective is given on its potential as a drug target....

  6. Detailed assessment of global transport-energy models’ structures and projections

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, Sonia; Mishra, Gouri Shankar; Fulton, Lew; Kyle, Page; McCollum, David L.; Miller, Joshua; Cazzola, Pierpaolo; Teter, Jacob

    2017-08-01

    This paper focuses on comparing the frameworks and projections from four major global transportation models with considerable transportation technology and behavioral detail. We analyze and compare the modeling frameworks, underlying data, assumptions, intermediate parameters, and projections to identify the sources of divergence or consistency, as well as key knowledge gaps. We find that there are significant differences in the base-year data and key parameters for future projections, especially for developing countries. These include passenger and freight activity, mode shares, vehicle ownership rates, and even energy consumption by mode, particularly for shipping, aviation and trucking. This may be due in part to a lack of previous efforts to do such consistency-checking and “bench-marking.” We find that the four models differ in terms of the relative roles of various mitigation strategies to achieve a 2°C / 450 ppm CO2e target: the economics-based integrated assessment models favor the use of low carbon fuels as the primary mitigation option followed by efficiency improvements, whereas transport-only and expert-based models favor efficiency improvements of vehicles followed by mode shifts. We offer recommendations for future modeling improvements focusing on (1) reducing data gaps; (2) translating the findings from this study into relevant policy implications such as feasibility of current policy goals, additional policy targets needed, regional vs. global reductions, etc.; (3) modeling strata of demographic groups to improve understanding of vehicle ownership levels, travel behavior, and urban vs. rural considerations; and (4) conducting coordinated efforts in aligning input assumptions and historical data, policy analysis, and modeling insights.

  7. Neurotransmitter transporters in schistosomes: structure, function and prospects for drug discovery.

    Science.gov (United States)

    Ribeiro, Paula; Patocka, Nicholas

    2013-12-01

    Neurotransmitter transporters (NTTs) play a fundamental role in the control of neurotransmitter signaling and homeostasis. Sodium symporters of the plasma membrane mediate the cellular uptake of neurotransmitter from the synaptic cleft, whereas proton-driven vesicular transporters sequester the neurotransmitter into synaptic vesicles for subsequent release. Together these transporters control how much transmitter is released and how long it remains in the synaptic cleft, thereby regulating the intensity and duration of signaling. NTTs have been the subject of much research in mammals and there is growing interest in their activities among invertebrates as well. In this review we will focus our attention on NTTs of the parasitic flatworm Schistosoma mansoni. Bloodflukes of the genus Schistosoma are the causative agents of human schistosomiasis, a devastating disease that afflicts over 200 million people worldwide. Schistosomes have a well-developed nervous system and a rich diversity of neurotransmitters, including many of the small-molecule ("classical") neurotransmitters that normally employ NTTs in their mechanism of signaling. Recent advances in schistosome genomics have unveiled numerous NTTs in this parasite, some of which have now been cloned and characterized in vitro. Moreover new genetic and pharmacological evidence suggests that NTTs are required for proper control of neuromuscular signaling and movement of the worm. Among these carriers are proteins that have been successfully targeted for drug discovery in other organisms, in particular sodium symporters for biogenic amine neurotransmitters such as serotonin and dopamine. Our goal in this chapter is to review the current status of research on schistosome NTTs, with emphasis on biogenic amine sodium symporters, and to evaluate their potential for anti-schistosomal drug targeting. Through this discussion we hope to draw attention to this important superfamily of parasite proteins and to identify new

  8. Contingency management in substance abuse treatment: a structured review of the evidence for its transportability.

    Science.gov (United States)

    Hartzler, Bryan; Lash, Steve J; Roll, John M

    2012-04-01

    Extant literature on contingency management (CM) transportability, or its transition from academia to community practice, is reviewed. The Consolidated Framework for Implementation Research (CFIR; Damschroder et al., 2009) guides the examination of this material. PsychInfo and Medline database searches identified 27 publications, with reviewed reference lists garnering 22 others. These 49 sources were examined according to CFIR domains of the intervention, outer setting, inner setting, clinicians, and implementation processes. Intervention characteristics were focal in 59% of the identified literature, with less frequent focus on clinicians (34%), inner setting (32%), implementation processes (18%), and outer setting (8%). As intervention characteristics, adaptability and trialability most facilitate transportability whereas non-clinical origin, perceived inefficacy or disadvantages, and costs are impediments. Clinicians with a managerial focus and greater clinic tenure and CM experience are candidates to curry organizational readiness for implementation, and combat staff disinterest or philosophical objection. A clinic's technology comfort, staff continuity, and leadership advocacy are inner setting characteristics that prompt effective implementation. Implementation processes in successful demonstration projects include careful fiscal/logistical planning, role-specific staff engagement, practical adaptation in execution, and evaluation via fidelity-monitoring and cost-effectiveness analyses. Outer setting characteristics-like economic policies and inter-agency networking or competition-are salient, often unrecognized influences. As most implementation constructs are still moving targets, CM transportability is in its infancy and warrants further scientific attention. More effective dissemination may necessitate that future research weight emphasis on external validity, and utilize models of implementation science. Published by Elsevier Ireland Ltd.

  9. Poly(vinyl-alcohol)/poly(ethylene-glycol)/poly(ethylene-imine) blend membranes - structure and CO2 facilitated transport

    International Nuclear Information System (INIS)

    Ben Hamouda, S.; Quang, Trong Nguyen; Langevin, D.; Sadok, Roudeslic

    2010-01-01

    Poly(vinyl-alcohol) (PVA)/poly(ethylene-imine) (PEI)/poly(ethylene-glycol) (PEG) blend membranes were prepared by solution casting followed by solvent evaporation. The effects of the blend polymer composition on the membrane structure and CO 2 /N 2 permeation characteristics were investigated. IR spectroscopy evidenced strong hydrogen bonding interactions between amorphous PVA and PEI, and weaker interactions between PVA and PEG. DSC studies showed that PVA crystallization was partially inhibited by the interactions between amorphous PVA and PEI blend, in which PEG separated into nodules. The CO 2 permeability decreased with an increase in CO 2 partial pressure in feed gas, while the N 2 permeability remained constant. This result indicated that only CO 2 was transported by the facilitated transport mechanism. The CO 2 and N 2 permeabilities increased monotonically with the PEI content in the blend membranes, whereas the ideal selectivity of CO 2 to N 2 transport showed a maximum. When CO 2 is humidified, its permeability through the blend membranes is much higher than that of dry CO 2 , but the change in permeability due to the presence of humidity is reversible. (authors)

  10. Effect of PANI rate percentage on morphology, structure and charge transport mechanism in PANI–PVDF composites above percolation threshold

    International Nuclear Information System (INIS)

    Saïdi, Sami; Bouzitoun, Mouna; Mannaî, Aymen; Gmati, Fethi; Derouiche, Hassen; Mohamed, Abdellatif Belhadj

    2013-01-01

    Polyaniline–Poly(vinylidene) fluoride (PANI–PVDF) composites were prepared by adding PANI to the PVDF by different weight percentages p % (p = 0, 5, 10, 20, … until 100%). The dc and ac electrical conductivity were studied as a function of PANI percentage in the temperature range 303–453 K. The percolation threshold was found to be equal to 2.95%. When the amount of PANI varies from 5 to 30%, the charge transport mechanism was found to be governed by Mott's three-dimensional variable range hopping model and the dc conductivity decreases within this range. For p > 30%, the conductivity increases and the charge transport mechanism are better fitted by a fluctuation induced tunnelling model (FIT). By calculating the distance ‘s’ between two successive clusters (the distance between two active imines centres (=N + H–) of PANI) from the FIT model, we deduce that electron charge transfer is done by inter-chain hopping for the range [p = 40 to 60%] and by intra-chain hopping for p = 70 to 90%. Some insights about the contribution of the ionic charge transport for PANI concentrations in the interval 5% < p < 30% were obtained using impedance measurements at different frequencies. X-ray diffraction measurements, Fourier transform infrared spectroscopy and scanning electron microscopy were used to investigate the effect of PANI on the structure and morphology of composites. (paper)

  11. The Role of Shape on Electronic Structure and Charge Transport in Faceted PbSe Nanocrystals

    KAUST Repository

    Kaushik, Ananth P.

    2014-03-25

    We have determined the effect of shape on the charge transport characteristics of nanocrystals. Our study looked at the explicit determination of the electronic properties of faceted nanocrystals that essentially probe the limit of current computational reach, i.e., nanocrystals from 1.53 to 2.1 nm in diameter. These nanocrystals, which resemble PbSe systems, are either bare or covered in short ligands. They also differ in shape, octahedral vs cube-octahedral, and in superlattice symmetry (fcc vs bcc). We have provided insights on electron and hole coupling along different facets and overall charge mobility in bcc and fcc superlattices. We have determined that the relative areas of (100) to (111) facets, and facet atom types are important factors governing the optimization of charge transport. The calculated electronic density of states shows no role of -SCH3 - ligands on states near the band gap. Electron coupling between nanocrystals is significantly higher than that of hole coupling; thiol ligands lower the ratio between electron and hole couplings. Stronger coupling exists between smaller nanocrystals. © 2014 American Chemical Society.

  12. Dynamics of the pedestal structure in the edge transport barrier in CHS

    International Nuclear Information System (INIS)

    Kado, S.; Oishi, T.; Tanaka, S.

    2006-10-01

    The dynamic behavior of the edge pedestal in the edge transport barrier (ETB) formation discharge (H-mode) in the compact helical system (CHS) is investigated. Edge Harmonic Oscillations (EHOs) having a fundamental frequency of 2-4.5 kHz, depending on the magnetic configuration, and their second harmonic are observed when the density gradient of the pedestal reaches a certain threshold. There are two groups of so-called EHOs in the CHS. One is located in the edge region where the ι=1 surface exists, and the other is in the core region (although we also call it EHO in this paper) around the half radius where the ι=0.5 surface exists. The magnetic probe signal is revealed to reflect the latter mode, showing the poloidal mode number of 2, while that for the edge BES channel is 1. The density build-up saturates simultaneously with the increase of EHOs in the edge BES channel, which suggests that to a considerable extend the mode increases the particle transport. (author)

  13. Research on Some Bus Transport Networks with Random Overlapping Clique Structure

    International Nuclear Information System (INIS)

    Yang Xuhua; Sun Youxian; Wang Bo; Wang Wanliang

    2008-01-01

    On the basis of investigating the statistical data of bus transport networks of three big cities in China, we propose that each bus route is a clique (maximal complete subgraph) and a bus transport network (BTN) consists of a lot of cliques, which intensively connect and overlap with each other. We study the network properties, which include the degree distribution, multiple edges' overlapping time distribution, distribution of the overlap size between any two overlapping cliques, distribution of the number of cliques that a node belongs to. Naturally, the cliques also constitute a network, with the overlapping nodes being their multiple links. We also research its network properties such as degree distribution, clustering, average path length, and so on. We propose that a BTN has the properties of random clique increment and random overlapping clique, at the same time, a BTN is a small-world network with highly clique-clustered and highly clique-overlapped. Finally, we introduce a BTN evolution model, whose simulation results agree well with the statistical laws that emerge in real BTNs

  14. Expression of vesicular glutamate transporters in peripheral vestibular structures and vestibular nuclear complex of rat.

    Science.gov (United States)

    Zhang, F X; Pang, Y W; Zhang, M M; Zhang, T; Dong, Y L; Lai, C H; Shum, D K Y; Chan, Y S; Li, J L; Li, Y Q

    2011-01-26

    Glutamate transmission from vestibular end organs to central vestibular nuclear complex (VNC) plays important role in transferring sensory information about head position and movements. Three isoforms of vesicular glutamate transporters (VGLUTs) have been considered so far the most specific markers for glutamatergic neurons/cells. In this study, VGLUT1 and VGLUT2 were immunohistochemically localized to axon terminals in VNC and somata of vestibular primary afferents in association with their central and peripheral axon endings, and VGLUT1 and VGLUT3 were co-localized to hair cells of otolith maculae and cristae ampullaris. VGLUT1 and VGLUT2 defined three subsets of Scarpa's neurons (vestibular ganglionic neurons): those co-expressing VGLUT1 and VGLUT2 or expressing only VGLUT2, and those expressing neither. In addition, many neurons located in all vestibular subnuclei were observed to contain hybridized signals for VGLUT2 mRNA and a few VNC neurons, mostly scattered in medial vestibular nucleus (MVe), displayed VGLUT1 mRNA labelling. Following unilateral ganglionectomy, asymmetries of VGLUT1-immunoreactivity (ir) and VGLUT2-ir occurred between two VNCs, indicating that the VNC terminals containing VGLUT1 and/or VGLUT2 are partly of peripheral origin. The present data indicate that the constituent cells/neurons along the vestibular pathway selectively apply VGLUT isoforms to transport glutamate into synaptic vesicles for glutamate transmission. © 2011 IBRO. Published by Elsevier Ltd. All rights reserved.

  15. Structure and function of subsurface microbial communities affecting radionuclide transport and bioimmobilization

    Energy Technology Data Exchange (ETDEWEB)

    Kostka, Joel E. [Florida State Univ., Tallahassee, FL (United States); Prakash, Om [Florida State Univ., Tallahassee, FL (United States); Green, Stefan J. [Florida State Univ., Tallahassee, FL (United States); Akob, Denise [Florida State Univ., Tallahassee, FL (United States); Jasrotia, Puja [Florida State Univ., Tallahassee, FL (United States); Kerkhof, Lee [Rutgers Univ., New Brunswick, NJ (United States); Chin, Kuk-Jeong [Georgia State Univ., Atlanta, GA (United States); Sheth, Mili [Georgia State Univ., Atlanta, GA (United States); Keller, Martin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Venkateswaran, Amudhan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Elkins, James G. [Univ. of Illinois, Urbana-Champaign, IL (United States); Stucki, Joseph W. [Univ. of Illinois, Urbana-Champaign, IL (United States)

    2012-05-01

    Our objectives were to: 1) isolate and characterize novel anaerobic prokaryotes from subsurface environments exposed to high levels of mixed contaminants (U(VI), nitrate, sulfate), 2) elucidate the diversity and distribution of metabolically active metal- and nitrate-reducing prokaryotes in subsurface sediments, and 3) determine the biotic and abiotic mechanisms linking electron transport processes (nitrate, Fe(III), and sulfate reduction) to radionuclide reduction and immobilization. Mechanisms of electron transport and U(VI) transformation were examined under near in situ conditions in sediment microcosms and in field investigations. Field sampling was conducted at the Oak Ridge Field Research Center (ORFRC), in Oak Ridge, Tennessee. The ORFRC subsurface is exposed to mixed contamination predominated by uranium and nitrate. In short, we effectively addressed all 3 stated objectives of the project. In particular, we isolated and characterized a large number of novel anaerobes with a high bioremediation potential that can be used as model organisms, and we are now able to quantify the function of subsurface sedimentary microbial communities in situ using state-of-the-art gene expression methods (molecular proxies).

  16. THE CHOICE OF A RATIONAL STRUCTURAL DESIGN OF ELECTRODYNAMIC TRANSPORT SYSTEMS

    Directory of Open Access Journals (Sweden)

    M. O. Radchenko

    2009-03-01

    Full Text Available The design schemes of electrodynamic maglev systems with a plane track structure are developed and the results of investigation of levitating motion of such systems along rectilinear or curvilinear tracks are presented.

  17. Structure and function of subsurface microbial communities affecting radionuclide transport and bio-immobilization

    Energy Technology Data Exchange (ETDEWEB)

    Stucki, Joseph William [University of Illinois

    2013-05-13

    The purpose of this study was to provide comparative information regarding the changes in clay structure that occur due to biotic or abiotic reduction, as probed by variable-temperature Mössbauer spectroscopy.

  18. Pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles

    Directory of Open Access Journals (Sweden)

    Ting Jia

    2017-05-01

    Full Text Available The serial system Srn+1FenO2n+1(n=1,2,3… with the FeO4 square planar motif exhibits abundant phase transitions under pressure. In this work, we investigate the pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles. Our results show that the system undergoes a structural transition from Immm to Ammm when the volume decreases by 30%, together with a spin-state transition (SST from high-spin (S = 2 to intermediate-spin (S = 1, an antiferromagnetic-to-ferromagnetic transition and an insulator-to-metal transition (IMT. Besides, the IMT here is a bandwidth controlled transition, but little influenced by the SST.

  19. Change of the Magnetic-Field Topology by an Ergodic Divertor and the Effect on the Plasma Structure and Transport

    International Nuclear Information System (INIS)

    Jakubowski, M.W.; Schmitz, O.; Abdullaev, S.S.; Brezinsek, S.; Finken, K.H.; Kraemer-Flecken, A.; Lehnen, M.; Samm, U.; Unterberg, B.; Wolf, R.C.; Spatschek, K.H.

    2006-01-01

    The magnetic-field perturbation produced by the dynamic ergodic divertor in TEXTOR changes the topology of the magnetic field in the plasma edge, creating an open chaotic system. The perturbation spectrum contains only a few dominant harmonics and therefore it can be described by an analytical model. The modeling is performed in the vacuum approximation without assuming a backreaction of the plasma and does not rely on any experimentally obtained parameters. It is shown that this vacuum approximation predicts in many details the experimentally observed plasma structure. Several experiments have been performed to prove that the plasma edge behavior is defined mostly by the magnetic topology of the perturbed volume. The change in the transport can be explained with the knowledge of only the magnetic structures; i.e., the ergodic pattern dominates the plasma properties

  20. Decoupling of economic structures and transport. Example regional business development; Entkopplung von Wirtschaftswachstum und Verkehr. Beispiel Regionale Wirtschaftsfoerderung

    Energy Technology Data Exchange (ETDEWEB)

    Petschow, Ulrich; Buchholz, Frank; Schaegner, Jan-Philipp; Sprenger, Rolf Ulrich [Institut fuer Oekologische Wirtschaftsforschung (IOEW) gGmbH, Berlin (Germany)

    2008-10-15

    The research project under consideration reports on three themes: (a) Contribution to more transparency in the discussion about the interactions between economic growth and transport development; (b) Development of approaches and design principles as a part of laws, regulations and frameworks for the decoupling of the two parameters; (c) Preparation of proposals for their political and administrative implementation. Selected instruments of regional development and economic development at the European, national and regional level were the main subject of research. The research focused on the strategic guidelines of the European Union. Furthermore, the research deals with the implementation of operational programs as instruments of the European Structural Funds and examines the development of the joint task 'Improvement of the regional economic structure'.

  1. Effects of sintering temperature on structural and electrical transport properties of zinc ferrites prepared by sol-gel route

    International Nuclear Information System (INIS)

    Anis-ur-Rehman, M.; Malik, M.A.; Ahmad, I.; Nasir, S.; Mubeen, M.; Abdullah, A.

    2011-01-01

    The effects of sintering temperature on the structural and electrical transport properties of nanocrystalline zinc ferrites are reported. The zinc ferrites were prepared by WOWS sol-gel synthesis route. The prepared sample was sintered at temperatures 500 deg. C, 700 deg. C and 900 deg. C respectively for 2 h. X-ray Diffraction (XRD) technique was used to describe the structural properties. The crystallite size, lattice parameters and porosity of samples were measured from the analysis of XRD data. The average crystallite size for each sample was measured using the Scherrer formula by considering the most intense (3 1 1) peak. The dielectric constant (e), dielectric loss tangent (tan theta ) and AC electrical conductivity of nanocrystalline Zn ferrites are investigated as a function of frequency and sintering temperature. All the electrical properties are explained in accordance with MaxwellWagner model and Koops phenomenological theory. (author)

  2. Survey of strain-rate effects for some common structural materials used in radioactive material packaging and transportation systems

    International Nuclear Information System (INIS)

    Robinson, R.A.; Zielenbach, W.J.; Lawrence, A.A.

    1976-08-01

    In safety evaluation of radioactive material packaging and transport systems during accidents mechanical property data for the structural materials under impact conditions are needed in order to assess the damage and consequences of the accident. This document reviews the status of dynamic material property data for the following common structural materials: lead, uranium, stainless steels, steels, aluminum, copper, and brass. The strain rate data reviewed were limited to the range from static to dynamic impact velocities of 50 ft/s or strain rates of 10 2 /second; temperature conditions were limited to the range -40 to 1000 0 F. Purpose of this document is to explain the test methods, present some of the relevant data, and identify some of the needs for additional data. 7 tables, 14 figures, 77 references

  3. Decoupling of economic structures and transport. Example regional business development; Entkopplung von Wirtschaftswachstum und Verkehr. Beispiel Regionale Wirtschaftsfoerderung

    Energy Technology Data Exchange (ETDEWEB)

    Petschow, Ulrich; Buchholz, Frank; Schaegner, Jan-Philipp; Sprenger, Rolf Ulrich [Institut fuer Oekologische Wirtschaftsforschung (IOEW) gGmbH, Berlin (Germany)

    2008-10-15

    The research project under consideration reports on three themes: (a) Contribution to more transparency in the discussion about the interactions between economic growth and transport development; (b) Development of approaches and design principles as a part of laws, regulations and frameworks for the decoupling of the two parameters; (c) Preparation of proposals for their political and administrative implementation. Selected instruments of regional development and economic development at the European, national and regional level were the main subject of research. The research focused on the strategic guidelines of the European Union. Furthermore, the research deals with the implementation of operational programs as instruments of the European Structural Funds and examines the development of the joint task 'Improvement of the regional economic structure'.

  4. Cosmic ray transport in heliospheric magnetic structures. I. Modeling background solar wind using the CRONOS magnetohydrodynamic code

    Energy Technology Data Exchange (ETDEWEB)

    Wiengarten, T.; Kleimann, J.; Fichtner, H. [Institut für Theoretische Physik IV, Ruhr-Universität Bochum (Germany); Kühl, P.; Kopp, A.; Heber, B. [Institut für Experimentelle und Angewandte Physik, Christian-Albrecht-Universität zu Kiel (Germany); Kissmann, R. [Institut für Astro- und Teilchenphysik, Universität Innsbruck (Austria)

    2014-06-10

    The transport of energetic particles such as cosmic rays is governed by the properties of the plasma being traversed. While these properties are rather poorly known for galactic and interstellar plasmas due to the lack of in situ measurements, the heliospheric plasma environment has been probed by spacecraft for decades and provides a unique opportunity for testing transport theories. Of particular interest for the three-dimensional (3D) heliospheric transport of energetic particles are structures such as corotating interaction regions, which, due to strongly enhanced magnetic field strengths, turbulence, and associated shocks, can act as diffusion barriers on the one hand, but also as accelerators of low energy CRs on the other hand as well. In a two-fold series of papers, we investigate these effects by modeling inner-heliospheric solar wind conditions with a numerical magnetohydrodynamic (MHD) setup (this paper), which will serve as an input to a transport code employing a stochastic differential equation approach (second paper). In this first paper, we present results from 3D MHD simulations with our code CRONOS: for validation purposes we use analytic boundary conditions and compare with similar work by Pizzo. For a more realistic modeling of solar wind conditions, boundary conditions derived from synoptic magnetograms via the Wang-Sheeley-Arge (WSA) model are utilized, where the potential field modeling is performed with a finite-difference approach in contrast to the traditional spherical harmonics expansion often utilized in the WSA model. Our results are validated by comparing with multi-spacecraft data for ecliptical (STEREO-A/B) and out-of-ecliptic (Ulysses) regions.

  5. Investigations of the role of nonlinear couplings in structure formation and transport regulation: Experiment, simulation, and theory

    International Nuclear Information System (INIS)

    Holland, C.; Kim, E.J.; Champeaux, S.; Gurcan, O.; Rosenbluth, M.N.; Diamond, P.H.; Tynan, G.R.; Nevins, W.; Candy, J.

    2003-01-01

    Understanding the physics of shear flow and structure formation in plasmas is a central problem for the advancement of magnetic fusion because of the roles such flows are believed to play in regulating turbulence and transport levels. In this paper, we report on integrated experimental, computational, and theoretical studies of sheared zonal flows and radially extended convective cells, with the aim of assessing the results of theory experiment and theory-simulation comparisons. In particular, simulations are used as test beds for verifying analytical predictions and demonstrating the suitability of techniques such as bispectral analysis for isolating nonlinear couplings in data. Based on intriguing initial results suggesting increased levels of nonlinear coupling occur during L-H transitions, we have undertaken a comprehensive study of bispectral quantities in fluid and gyrokinetic simulations, and compared these results with theoretical expectations. Topics of study include locality and directionality of energy transfer, amplitude scaling, and parameter dependences. Techniques for inferring nonlinear coupling coefficients from data are discussed, and initial results from experimental data are presented. Future experimental studies are motivated. We also present work investigating the role of structures in transport. Analysis of simulation data indicates that the turbulent heat flux can be represented as an ensemble of 'heat pulses' of varying sizes, with a power law distribution. The slope of the power law is shown to determine global transport scaling (i.e. Bohm or gyro-Bohm). Theoretical work studying the dynamics of the largest cells (termed 'streamers') is presented, as well as results from ongoing analysis studying connections between heat pulse distribution and bispectral quantities. (author)

  6. Modeling of Cerebral Oxygen Transport Based on In vivo Microscopic Imaging of Microvascular Network Structure, Blood Flow, and Oxygenation.

    Science.gov (United States)

    Gagnon, Louis; Smith, Amy F; Boas, David A; Devor, Anna; Secomb, Timothy W; Sakadžić, Sava

    2016-01-01

    Oxygen is delivered to brain tissue by a dense network of microvessels, which actively control cerebral blood flow (CBF) through vasodilation and contraction in response to changing levels of neural activity. Understanding these network-level processes is immediately relevant for (1) interpretation of functional Magnetic Resonance Imaging (fMRI) signals, and (2) investigation of neurological diseases in which a deterioration of neurovascular and neuro-metabolic physiology contributes to motor and cognitive decline. Experimental data on the structure, flow and oxygen levels of microvascular networks are needed, together with theoretical methods to integrate this information and predict physiologically relevant properties that are not directly measurable. Recent progress in optical imaging technologies for high-resolution in vivo measurement of the cerebral microvascular architecture, blood flow, and oxygenation enables construction of detailed computational models of cerebral hemodynamics and oxygen transport based on realistic three-dimensional microvascular networks. In this article, we review state-of-the-art optical microscopy technologies for quantitative in vivo imaging of cerebral microvascular structure, blood flow and oxygenation, and theoretical methods that utilize such data to generate spatially resolved models for blood flow and oxygen transport. These "bottom-up" models are essential for the understanding of the processes governing brain oxygenation in normal and disease states and for eventual translation of the lessons learned from animal studies to humans.

  7. Tuning the electronic structure and transport properties of graphene by noncovalent functionalization: effects of organic donor, acceptor and metal atoms

    International Nuclear Information System (INIS)

    Zhang Yonghui; Zhou Kaige; Xie Kefeng; Zeng Jing; Zhang Haoli; Peng Yong

    2010-01-01

    Using density functional theory and nonequilibrium Green's function (NEGF) formalism, we have theoretically investigated the binding of organic donor, acceptor and metal atoms on graphene sheets, and revealed the effects of the different noncovalent functionalizations on the electronic structure and transport properties of graphene. The adsorptions of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) and tetrathiafulvalene (TTF) induce hybridization between the molecular levels and the graphene valence bands, and transform the zero-gap semiconducting graphene into a metallic graphene. However, the current versus voltage (I-V) simulation indicates that the noncovalent modifications by organic molecules are not sufficient to significantly alter the transport property of the graphene for sensing applications. We found that the molecule/graphene interaction could be dramatically enhanced by introducing metal atoms to construct molecule/metal/graphene sandwich structures. A chemical sensor based on iron modified graphene shows a sensitivity two orders of magnitude higher than that of pristine graphene. The results of this work could help to design novel graphene-based sensing or switching devices.

  8. Who is in control of road safety? A STAMP control structure analysis of the road transport system in Queensland, Australia.

    Science.gov (United States)

    Salmon, Paul M; Read, Gemma J M; Stevens, Nicholas J

    2016-11-01

    Despite significant progress, road trauma continues to represent a global safety issue. In Queensland (Qld), Australia, there is currently a focus on preventing the 'fatal five' behaviours underpinning road trauma (drug and drink driving, distraction, seat belt wearing, speeding, and fatigue), along with an emphasis on a shared responsibility for road safety that spans road users, vehicle manufacturers, designers, policy makers etc. The aim of this article is to clarify who shares the responsibility for road safety in Qld and to determine what control measures are enacted to prevent the fatal five behaviours. This is achieved through the presentation of a control structure model that depicts the actors and organisations within the Qld road transport system along with the control and feedback relationships that exist between them. Validated through a Delphi study, the model shows a diverse set of actors and organisations who share the responsibility for road safety that goes beyond those discussed in road safety policies and strategies. The analysis also shows that, compared to other safety critical domains, there are less formal control structures in road transport and that opportunities exist to add new controls and strengthen existing ones. Relationships that influence rather than control are also prominent. Finally, when compared to other safety critical domains, the strength of road safety controls is brought into question. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. Structure and evolution of the plant cation diffusion facilitator family of ion transporters

    Directory of Open Access Journals (Sweden)

    Zanis Michael J

    2011-03-01

    Full Text Available Abstract Background Members of the cation diffusion facilitator (CDF family are integral membrane divalent cation transporters that transport metal ions out of the cytoplasm either into the extracellular space or into internal compartments such as the vacuole. The spectrum of cations known to be transported by proteins of the CDF family include Zn, Fe, Co, Cd, and Mn. Members of this family have been identified in prokaryotes, eukaryotes, and archaea, and in sequenced plant genomes. CDF families range in size from nine members in Selaginella moellendorffii to 19 members in Populus trichocarpa. Phylogenetic analysis suggests that the CDF family has expanded within plants, but a definitive plant CDF family phylogeny has not been constructed. Results Representative CDF members were annotated from diverse genomes across the Viridiplantae and Rhodophyta lineages and used to identify phylogenetic relationships within the CDF family. Bayesian phylogenetic analysis of CDF amino acid sequence data supports organizing land plant CDF family sequences into 7 groups. The origin of the 7 groups predates the emergence of land plants. Among these, 5 of the 7 groups are likely to have originated at the base of the tree of life, and 2 of 7 groups appear to be derived from a duplication event prior to or coincident with land plant evolution. Within land plants, local expansion continues within select groups, while several groups are strictly maintained as one gene copy per genome. Conclusions Defining the CDF gene family phylogeny contributes to our understanding of this family in several ways. First, when embarking upon functional studies of the members, defining primary groups improves the predictive power of functional assignment of orthologous/paralogous genes and aids in hypothesis generation. Second, defining groups will allow a group-specific sequence motif to be generated that will help define future CDF family sequences and aid in functional motif

  10. Structural Origins of Conductance Fluctuations in Gold–Thiolate Molecular Transport Junctions

    KAUST Repository

    French, William R.

    2013-03-21

    We report detailed atomistic simulations combined with high-fidelity conductance calculations to probe the structural origins of conductance fluctuations in thermally evolving Au-benzene-1,4-dithiolate-Au junctions. We compare the behavior of structurally ideal junctions (where the electrodes are modeled as flat surfaces) to structurally realistic, experimentally representative junctions resulting from break-junction simulations. The enhanced mobility of metal atoms in structurally realistic junctions results in significant changes to the magnitude and origin of the conductance fluctuations. Fluctuations are larger by a factor of 2-3 in realistic junctions compared to ideal junctions. Moreover, in junctions with highly deformed electrodes, the conductance fluctuations arise primarily from changes in the Au geometry, in contrast to results for junctions with nondeformed electrodes, where the conductance fluctuations are dominated by changes in the molecule geometry. These results provide important guidance to experimentalists developing strategies to control molecular conductance, and also to theoreticians invoking simplified structural models of junctions to predict their behavior. © 2013 American Chemical Society.

  11. Structural Origins of Conductance Fluctuations in Gold–Thiolate Molecular Transport Junctions

    KAUST Repository

    French, William R.; Iacovella, Christopher R.; Rungger, Ivan; Souza, Amaury Melo; Sanvito, Stefano; Cummings, Peter T.

    2013-01-01

    We report detailed atomistic simulations combined with high-fidelity conductance calculations to probe the structural origins of conductance fluctuations in thermally evolving Au-benzene-1,4-dithiolate-Au junctions. We compare the behavior of structurally ideal junctions (where the electrodes are modeled as flat surfaces) to structurally realistic, experimentally representative junctions resulting from break-junction simulations. The enhanced mobility of metal atoms in structurally realistic junctions results in significant changes to the magnitude and origin of the conductance fluctuations. Fluctuations are larger by a factor of 2-3 in realistic junctions compared to ideal junctions. Moreover, in junctions with highly deformed electrodes, the conductance fluctuations arise primarily from changes in the Au geometry, in contrast to results for junctions with nondeformed electrodes, where the conductance fluctuations are dominated by changes in the molecule geometry. These results provide important guidance to experimentalists developing strategies to control molecular conductance, and also to theoreticians invoking simplified structural models of junctions to predict their behavior. © 2013 American Chemical Society.

  12. Structural, magnetic and electrical transport properties in cold-drawn thin Fe-rich wires

    International Nuclear Information System (INIS)

    Garcia, C.; Chizhik, A.; Val, J.J. del; Zhukov, A.; Blanco, J.M.; Gonzalez, J.

    2005-01-01

    Microstructural (X-ray diffraction), magnetic properties (hysteresis loop), electrical resistivity, magneto-impedance and stress impedance effects have been investigated in cold-drawn Fe 77.5 B 15 Si 7.5 amorphous wire. Initial amorphous wire (obtained by the in-rotating-water technique) with diameter of 125 μm was submitted to cold-drawn process decreasing the diameter to 50 μm. Such cold-drawn wire was treated by current annealing (currents of 190, 210, 220 and 230 mA during times between 1 and 45 min) for tailoring the magnetic and electrical transport properties. A qualitative analysis of the magnetoimpedance and stress impedance effects is given by considering the influence of the magnetoelastic anisotropy and frequency of the AC driving electrical current on the circular permeability

  13. Charge transport in the electrospun nanofiber composite membrane's three-dimensional fibrous structure

    Science.gov (United States)

    DeGostin, Matthew B.; Peracchio, Aldo A.; Myles, Timothy D.; Cassenti, Brice N.; Chiu, Wilson K. S.

    2016-03-01

    In this paper, a Fiber Network (FN) ion transport model is developed to simulate the three-dimensional fibrous microstructural morphology that results from the electrospinning membrane fabrication process. This model is able to approximate fiber layering within a membrane as well as membrane swelling due to water uptake. The discrete random fiber networks representing membranes are converted to resistor networks and solved for current flow and ionic conductivity. Model predictions are validated by comparison with experimental conductivity data from electrospun anion exchange membranes (AEM) and proton exchange membranes (PEM) for fuel cells as well as existing theories. The model is capable of predicting in-plane and thru-plane conductivity and takes into account detailed membrane characteristics, such as volume fraction, fiber diameter, fiber conductivity, and membrane layering, and as such may be used as a tool for advanced electrode design.

  14. Electronic structure and transport properties of zigzag MoS2 nanoribbons

    Science.gov (United States)

    Sharma, Uma Shankar; Shah, Rashmi; Mishra, Pankaj Kumar

    2018-05-01

    In present study, electronic and transport properties of the 8zigzag MoS2 nanoribbons (8ZMoS2NRs) are investigated using ab-initio density functional theory [DFT]. The calculations were performed using nonequilibrium Green's function (NEGF) formalism based on DFT as implemented in the TranSiesta code. Results show that the defect can introduces few extra states into the energy gap, which lead nanoribbons to reveal a metallic characteristic. The voltage-current (VI) graph of 8ZMoS2NRs show a threshold current increases after introducing Mo defect in the devices. when introducing a Mo vacancy under low biases, the current will be suppressed—whereas under high biases, the current through the defected 8ZMoS2NRs will increases rapidly, due to the other channel being opened, that make possibility of 8ZMoS2NRs application in electronic devices such as voltage regulation.

  15. Transport properties and pore-network structure in variably-saturated Sphagnum peat soil

    DEFF Research Database (Denmark)

    Hamamoto, Shoichiro; Dissanayaka, Shiromi Himalika; Kawamoto, K.

    2016-01-01

    Gas and water transport in peat soil are of increasing interest because of their potentially large environmental and climatic effects under different types of land use. In this research, the water retention curve (WRC), gas diffusion coefficient (Dg) and air and water permeabilities (ka and kw......) of layers in peat soil from two profiles were measured under different moisture conditions. A two-region Archie's Law (2RAL)-type model was applied successfully to the four properties; the reference point was taken at -9.8kPa of soil-water matric potential where volume shrinkage typically started to occur....... For WRC in the very decomposed peat soil, the 2RAL saturation exponents (n) obtained for both the wetter (nw) and drier regions (nd) were smaller than those for the less decomposed peat. For Dg, the saturation exponent in the wetter region was larger than that in the drier one for all layers, which...

  16. Mobilization and transport of soil colloids as influenced by texture, organic matter, and structure

    DEFF Research Database (Denmark)

    Vendelboe, Anders Lindblad

    The thin layer of soil on the Earth’s surface has major environmental and socioeconomic impacts. The soils sustain our life and society, and do not act only as a growth medium for food, feed and fuel. Soil is an invaluable resource and the processes within it are responsible for waste disposal...... was mainly seen as an impact on soil organic carbon. Results from the column leaching experiments from three sites likewise indicate that basic soil properties, such as the clay content, were the main drivers of colloid mobilization and transport. Effects of management and cropping system seemed secondary......, purification and recharge of groundwater aquifers. Many environmental contaminants are broken down through their passage through the soil and slow percolation through the soil cleanses rainwater before it reaches the groundwater. Strongly sorbing environmental contaminants cannot be assumed to be immobile...

  17. High Performance Nano-Crystalline Oxide Fuel Cell Materials. Defects, Structures, Interfaces, Transport, and Electrochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, Scott [Northwestern Univ., Evanston, IL (United States); Poeppelmeier, Ken [Northwestern Univ., Evanston, IL (United States); Mason, Tom [Northwestern Univ., Evanston, IL (United States); Marks, Lawrence [Northwestern Univ., Evanston, IL (United States); Voorhees, Peter [Northwestern Univ., Evanston, IL (United States)

    2016-09-07

    This project addresses fundamental materials challenges in solid oxide electrochemical cells, devices that have a broad range of important energy applications. Although nano-scale mixed ionically and electronically conducting (MIEC) materials provide an important opportunity to improve performance and reduce device operating temperature, durability issues threaten to limit their utility and have remained largely unexplored. Our work has focused on both (1) understanding the fundamental processes related to oxygen transport and surface-vapor reactions in nano-scale MIEC materials, and (2) determining and understanding the key factors that control their long-term stability. Furthermore, materials stability has been explored under the “extreme” conditions encountered in many solid oxide cell applications, i.e, very high or very low effective oxygen pressures, and high current density.

  18. 3D Structure of Saharan Dust Transport Towards Europe as Seen by CALIPSO

    Directory of Open Access Journals (Sweden)

    Marinou Eleni

    2016-01-01

    Full Text Available We present a 3D multi-year monthly mean climatology of Saharan dust advection over Europe using an area-optimized pure dust CALIPSO product. The product has been developed by applying EARLINET-measured dust lidar ratios and depolarization-based dust discrimination methods and it is shown to have a very good agreement in terms of AOD when compared to AERONET over Europe/North Africa and MODIS over Mediterranean. The processing of such purely observational data reveals the certain seasonal patterns of dust transportation towards Europe and the Atlantic Ocean. The physical and optical properties of the dust layer are identified for several areas near the Saharan sources, over the Mediterranean and over continental Europe.

  19. Electronic transport and dielectric properties of low-dimensional structures of layered transition metal dichalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Ashok, E-mail: ashok.1777@yahoo.com; Ahluwalia, P.K., E-mail: pk_ahluwalia7@yahoo.com

    2014-02-25

    Graphical abstract: We present electronic transport and dielectric response of layered transition metal dichalcogenides nanowires and nanoribbons. Illustration 1: Conductance (G) and corresponding local density of states(LDOS) for LTMDs wires at applied bias. I–V characterstics are shown in lowermost panels. Highlights: • The studied configurations show metallic/semiconducting nature. • States around the Fermi energy are mainly contributed by the d orbitals of metal atoms. • The studied configurations show non-linear current–voltage (I–V) characteristics. • Additional plasmonic features at low energy have been observed for both wires and ribbons. • Dielectric functions for both wires and ribbons are anisotropic (isotropic) at low (high) energy range. -- Abstract: We present first principle study of the electronic transport and dielectric properties of nanowires and nanoribbons of layered transition metal dichalcogenides (LTMDs), MX{sub 2} (M = Mo, W; X = S, Se, Te). The studied configuration shows metallic/semiconducting nature and the states around the Fermi energy are mainly contributed by the d orbitals of metal atoms. Zero-bias transmission show 1G{sub 0} conductance for the ribbons of MoS{sub 2} and WS{sub 2}; 2G{sub 0} conductance for MoS{sub 2}, WS{sub 2}, WSe{sub 2} wires, and ribbons of MoTe{sub 2} and WTe{sub 2}; and 3G{sub 0} conductance for WSe{sub 2} ribbon. The studied configurations show non-linear current–voltage (I–V) characteristics. Negative differential conductance (NDC) has also been observed for the nanoribbons of the selenides and tellurides of both Mo and W. Furthermore, additional plasmonic features below 5 eV energy have been observed for both wires and ribbons as compared to the corresponding monolayers, which is found to be red-shifted on going from nanowires to nanoribbons.

  20. Ambipolar carrier transport properties and molecular packing structure of octahexyl-substituted copper phthalocyanine

    Science.gov (United States)

    Watanabe, Ken; Watanabe, Koichi; Tohnai, Norimitsu; Itani, Hiromichi; Shimizu, Yo; Fujii, Akihiko; Ozaki, Masanori

    2018-04-01

    The charge carrier mobility of a solution-processable low-molecular-weight organic semiconductor material, i.e., 1,4,8,11,15,18,22,25-octahexylphthalocyanine copper complex (C6PcCu), was investigated by the time-of-flight technique. The anomalous ambipolar carrier mobility was discussed from the viewpoint of the molecular packing structure, which was clarified by single-crystal X-ray structure analysis. In the comparison between the molecular packing structures of C6PcCu and its metal-free-type homologue, it was found that the difference in carrier mobility originates from the rotation of the molecule, which is caused by the steric hindrance due to the introduction of a center metal and the interpenetration of the nonperipheral alkyl chains.

  1. Crystal structure of a copper-transporting PIB-type ATPase

    DEFF Research Database (Denmark)

    Gourdon, Pontus Emanuel; Liu, Xiang-Yu; Skjørringe, Tina

    2011-01-01

    Heavy-metal homeostasis and detoxification is crucial for cell viability. P-type ATPases of the class IB (PIB) are essential in these processes, actively extruding heavy metals from the cytoplasm of cells. Here we present the structure of a PIB-ATPase, a Legionella pneumophila CopA Cu(+)-ATPase, ......Heavy-metal homeostasis and detoxification is crucial for cell viability. P-type ATPases of the class IB (PIB) are essential in these processes, actively extruding heavy metals from the cytoplasm of cells. Here we present the structure of a PIB-ATPase, a Legionella pneumophila CopA Cu...

  2. The influence of selected containment structures on debris dispersal and transport following high pressure melt ejection from the reactor vessel

    International Nuclear Information System (INIS)

    Pilch, M.; Tarbell, W.W.; Brockmann, J.E.

    1988-09-01

    High pressure expulsion of molten core debris from the reactor pressure vessel may result in dispersal of the debris from the reactor cavity. In most plants, the cavity exits into the containment such that the debris impinges on structures. Retention of the debris on the structures may affect the further transport of the debris throughout the containment. Two tests were done with scaled structural shapes placed at the exit of 1:10 linear scale models of the Zion cavity. The results show that the debris does not adhere significantly to structures. The lack of retention is attributed to splashing from the surface and reentrainment in the gas flowing over the surface. These processes are shown to be applicable to reactor scale. A third experiment was done to simulate the annular gap between the reactor vessel and cavity wall. Debris collection showed that the fraction of debris exiting through the gap was greater than the gap-to-total flow area ratio. Film records indicate that dispersal was primarily by entrainment of the molten debris in the cavity. 29 refs., 36 figs., 11 tabs

  3. Crystal structure and transport properties of Pd5HgSe

    Czech Academy of Sciences Publication Activity Database

    Laufek, F.; Vymazalová, A.; Drábek, M.; Navrátil, Jiří; Plecháček, T.; Drahokoupil, Jan

    2012-01-01

    Roč. 14, č. 10 (2012), s. 1476-1479 ISSN 1293-2558 R&D Projects: GA ČR GAP108/10/1315 Institutional support: RVO:61389013 ; RVO:68378271 Keywords : Pd5HgSe * Pd-Hg-Se system * crystal structure Subject RIV: CA - Inorganic Chemistry Impact factor: 1.671, year: 2012

  4. Revealing the Molecular Structure and the Transport Mechanism at the Base of Primary Cilia Using Superresolution STED Microscopy

    Science.gov (United States)

    Yang, Tung-Lin

    The primary cilium is an organelle that serves as a signaling center of the cell and is involved in the hedgehog signaling, cAMP pathway, Wnt pathways, etc. Ciliary function relies on the transportation of molecules between the primary cilium and the cell, which is facilitated by intraflagellar transport (IFT). IFT88, one of the important IFT proteins in complex B, is known to play a role in the formation and maintenance of cilia in various types of organisms. The ciliary transition zone (TZ), which is part of the gating apparatus at the ciliary base, is home to a large number of ciliopathy molecules. Recent studies have identified important regulating elements for TZ gating in cilia. However, the architecture of the TZ region and its arrangement relative to intraflagellar transport (IFT) proteins remain largely unknown, hindering the mechanistic understanding of the regulation processes. One of the major challenges comes from the tiny volume at the ciliary base packed with numerous proteins, with the diameter of the TZ close to the diffraction limit of conventional microscopes. Using a series of stimulated emission depletion (STED) superresolution images mapped to electron microscopy images, we analyzed the structural organization of the ciliary base. Subdiffraction imaging of TZ components defines novel geometric distributions of RPGRIP1L, MKS1, CEP290, TCTN2 and TMEM67, shedding light on their roles in TZ structure, assembly, and function. We found TCTN2 at the outmost periphery of the TZ close to the ciliary membrane, with a 227+/-18 nm diameter. TMEM67 was adjacent to TCTN2, with a 205+/-20 nm diameter. RPGRIP1L was localized toward the axoneme at the same axial level as TCTN2 and TMEM67, with a 165+/-8 nm diameter. MKS1 was situated between TMEM67 and RPGRIP1L, with an 186+/-21 nm diameter. Surprisingly, CEP290 was localized at the proximal side of the TZ close to the distal end of the centrin-labeled basal body. The lateral width was unexpectedly close to

  5. An Electronic Structure Approach to Charge Transfer and Transport in Molecular Building Blocks for Organic Optoelectronics

    Science.gov (United States)

    Hendrickson, Heidi Phillips

    A fundamental understanding of charge separation in organic materials is necessary for the rational design of optoelectronic devices suited for renewable energy applications and requires a combination of theoretical, computational, and experimental methods. Density functional theory (DFT) and time-dependent (TD)DFT are cost effective ab-initio approaches for calculating fundamental properties of large molecular systems, however conventional DFT methods have been known to fail in accurately characterizing frontier orbital gaps and charge transfer states in molecular systems. In this dissertation, these shortcomings are addressed by implementing an optimally-tuned range-separated hybrid (OT-RSH) functional approach within DFT and TDDFT. The first part of this thesis presents the way in which RSH-DFT addresses the shortcomings in conventional DFT. Environmentally-corrected RSH-DFT frontier orbital energies are shown to correspond to thin film measurements for a set of organic semiconducting molecules. Likewise, the improved RSH-TDDFT description of charge transfer excitations is benchmarked using a model ethene dimer and silsesquioxane molecules. In the second part of this thesis, RSH-DFT is applied to chromophore-functionalized silsesquioxanes, which are currently investigated as candidates for building blocks in optoelectronic applications. RSH-DFT provides insight into the nature of absorptive and emissive states in silsesquioxanes. While absorption primarily involves transitions localized on one chromophore, charge transfer between chromophores and between chromophore and silsesquioxane cage have been identified. The RSH-DFT approach, including a protocol accounting for complex environmental effects on charge transfer energies, was tested and validated against experimental measurements. The third part of this thesis addresses quantum transport through nano-scale junctions. The ability to quantify a molecular junction via spectroscopic methods is crucial to their

  6. Magneto-transport in CdTe/CdMnTe dilute magnetic semiconductor single barrier structures

    International Nuclear Information System (INIS)

    Lyons, V.R.

    1999-03-01

    This thesis presents work done on electrical transport through dilute magnetic semiconductor (DMS) single barriers in both zero and non-zero magnetic fields. The fields are applied either perpendicular or parallel to the DMS layers. The main samples under investigation consist of 100 A and 200 A CdTe/Cd 0.8 Mn 0.2 Te/CdTe single barrier heterostructures. In addition electrical characterisation of the non magnetic layers is performed. Current through the barrier is measured as a function of voltage, magnetic field and temperature. A theoretical model is derived in order to calculate the current as a function of barrier height, barrier width, emitting layer carrier concentration, applied bias and temperature. These variables are then treated as fitting parameters and comparisons are made between the calculated and the experimental currents. The barriers are shown to produce non-Ohmic transport. The roles of quantum mechanical tunnelling and thermal activation across the barrier are investigated and shown to be highly mixed. An unexpectedly high degree of tunnelling is found to occur at high temperatures, within the region previously assumed to be dominated by thermal activation. Moreover the barrier height is found to be lower and the width greater than expected. These observations suggest that a high level of Mn diffusion occurs, possibly due to In dopant related effects. This suggestion is validated by the high emitting layer carrier concentration suggested by the fitting. At low temperatures and voltages the thicker barrier sample is shown to contain a parasitic leak path which short-circuits the barrier. This leak may exist in both samples but only becomes dominant where the barriers are sufficiently opaque to the incident carriers. Changes in a magnetic field are expected to be due to sp-d exchange induced giant Zeeman splitting in the barrier and either normal spin splitting or sp-d exchange effects in the emitter regions. The application of a magnetic field is

  7. Donor structure and electric transport mechanism in β-Ga2O3

    International Nuclear Information System (INIS)

    Yamaga, Mitsuo; Villora, Encarnacion G.; Shimamura, Kiyoshi; Ichinose, Noboru; Honda, Makoto

    2003-01-01

    The electron paramagnetic resonance (EPR) study of β-Ga 2 O 3 crystals gives evidence that donors can be regarded as O 2- vacancies trapping single electrons. The Lorentzian line shape of the EPR spectra observed in the range of 5-300 K, which exhibit anisotropic g values, suggests that motional narrowing occurs in this temperature range. For any magnetic-field orientation a single EPR line is observed, indicating that donor electrons are predominantly created in one of the three different oxygen sites in the β-Ga 2 O 3 crystal. A previous transmission electron microscopy study suggested that a break of symmetry in domains of 2-3 nm correlates with a preceding cluster model of oxygen vacancies. From the temperature dependence of the EPR linewidth and the electrical conductivity it is found that the electron conduction in the clusters and/or between them is governed by a tunneling process at low temperatures, whereas at temperatures above 50 K, the transport of electrons through hopping between the clusters is thermally activated

  8. Exploration of Structural Changes in Lactose Permease on Sugar Binding and Proton Transport through Atomistic Simulations

    Science.gov (United States)

    Liu, Jin; Jewel, Yead; Dutta, Prashanta

    2017-11-01

    Escherichia coli lactose permease (LacY) actively transports lactose and other galactosides across cell membranes through lactose/H+ symport process. Lactose/H+ symport is a highly complex process that involves large-scale protein conformational changes. The complete picture of lactose/H+ symport is largely unclear. In this work, we develop the force field for sugar molecules compatible with PACE, a hybrid and coarse-grained force field that couples the united-atom protein models with the coarse-grained MARTINI water/lipid. After validation, we implement the new force field to investigate the binding of a β-D-galactopyranosyl-1-thio- β-D-galactopyranoside (TDG) molecule to a wild-type LacY. Transitions from inward-facing to outward-facing conformations upon TDG binding and protonation of Glu269 have been achieved from microsecond simulations. Both the opening of the periplasmic side and closure of the cytoplasmic side of LacY are consistent with experiments. Our analysis suggest that the conformational changes of LacY are a cumulative consequence of inter-domain H-bonds breaking at the periplasmic side, inter-domain salt-bridge formation at the cytoplasmic side, as well as the TDG orientational changes during the transition. This work is supported by US National Science Foundation under Grant No. CBET-1604211.

  9. Intermittent convective transport carried by propagating electromagnetic filamentary structures in nonuniformly magnetized plasma

    DEFF Research Database (Denmark)

    Xu, G.S.; Naulin, Volker; Fundamenski, W.

    2010-01-01

    Drift-Alfvén vortex filaments associated with electromagnetic turbulence were recently identified in reversed field pinch devices. Similar propagating filamentary structures were observed in the Earth magnetosheath, magnetospheric cusp and Saturn’s magnetosheath by spacecrafts. The characteristics...... energy, magnetic momentum, and angular momentum. The perpendicular vortex motions and the kinetic shear Alfvén waves are coupled through the parallel current and Ampere’s law, leading to field line bending. On the timescale of interchange motion τ⊥, a thermal expansion force in the direction of curvature......, heat, and momentum in the fusion plasmas can be interpreted in terms of the ballistic motion of these solitary electromagnetic filamentary structures....

  10. Critical current and electric transport properties of superconducting epitaxial Nb(Ti)N submicron structures

    Science.gov (United States)

    Klimov, A.; Słysz, W.; Guziewicz, M.; Kolkovsky, V.; Wegrzecki, M.; Bar, J.; Marchewka, M.; Seredyński, B.

    2016-12-01

    Critical current and current-voltage characteristics of epitaxial Nb(Ti)N submicron ultrathin structures were measured as function of temperature. For 700-nm-wide bridge we found current-driven vortex de-pinning at low temperatures and thermally activated flux flow closer to the transition temperature, as the limiting factors for the critical current density. For 100-nm-wide meander we observed combination of phase-slip activation and vortex-anti-vortex pair (VAP) thermal excitation. Our Nb(Ti)N meander structure demonstrates high de-pairing critical current densities 107 A/cm2 at low temperatures, but the critical currents are much smaller due to presence of the local constrictions.

  11. Integrated aerodynamic-structural design of a forward-swept transport wing

    Science.gov (United States)

    Haftka, Raphael T.; Grossman, Bernard; Kao, Pi-Jen; Polen, David M.; Sobieszczanski-Sobieski, Jaroslaw

    1989-01-01

    The introduction of composite materials is having a profound effect on aircraft design. Since these materials permit the designer to tailor material properties to improve structural, aerodynamic and acoustic performance, they require an integrated multidisciplinary design process. Futhermore, because of the complexity of the design process, numerical optimization methods are required. The utilization of integrated multidisciplinary design procedures for improving aircraft design is not currently feasible because of software coordination problems and the enormous computational burden. Even with the expected rapid growth of supercomputers and parallel architectures, these tasks will not be practical without the development of efficient methods for cross-disciplinary sensitivities and efficient optimization procedures. The present research is part of an on-going effort which is focused on the processes of simultaneous aerodynamic and structural wing design as a prototype for design integration. A sequence of integrated wing design procedures has been developed in order to investigate various aspects of the design process.

  12. Nicotinic acetylcholine receptor: subunit structure, functional binding sites, and ion transport properties

    International Nuclear Information System (INIS)

    Raftery, M.A.; Dunn, S.M.J.; Conti-Tronconi, B.M.; Middlemas, D.S.; Crawford, R.D.

    1983-01-01

    The structure of the nicotinic acetylcholine receptor has been highly conserved during animal evolution, and in all the species and tissues studied so far, including mammals, it is a pseudosymmetric, pentameric complex of related subunits with very similar physical properties. All subunits of these nicotinic receptors were derived from a common ancestral gene, probably by way of gene duplications occurring very early in animal evolution. 45 refs., 8 figs., 2 tabs

  13. Charge Transport in Two-Photon Semiconducting Structures for Solar Fuels

    OpenAIRE

    Liu, Guohua; Du, Kang; Haussener, Sophia; Wang, Kaiying

    2016-01-01

    Semiconducting heterostructures are emerging as promising light absorbers and offer effective electron–hole separation to drive solar chemistry. This technology relies on semiconductor composites or photoelectrodes that work in the presence of a redox mediator and that create cascade junctions to promote surface catalytic reactions. Rational tuning of their structures and compositions is crucial to fully exploit their functionality. In this review, we describe the possibilities of applying th...

  14. Stability and structure of the membrane protein transporter Ffh is modulated by substrates and lipids

    DEFF Research Database (Denmark)

    Reinau, Marika Ejby; Otzen, Daniel

    2009-01-01

    the apoprotein. Escherichia coli lipid and DOPG (and to a smaller extent DOPC) increase Ffh's α-helical content, possibly related to Ffh's role in guiding membrane proteins to the membrane. Binding is largely mediated by electrostatic interactions but does not protect Ffh against trypsinolysis. We conclude...... that Ffh is a structurally flexible and dynamic protein whose stability is significantly modulated by the environment. © 2009 Elsevier Inc. All rights reserved....

  15. The application of fluid structure interaction techniques within finite element analyses of water-filled transport flasks

    International Nuclear Information System (INIS)

    Smith, C.; Stojko, S.

    2004-01-01

    Historically, Finite Element (FE) analyses of water-filled transport flasks and their payloads have been carried out assuming a dry environment, mainly due to a lack of robust Fluid Structure Interaction (FSI) modelling techniques. Also it has been accepted within the RAM transport industry that the presence of water would improve the impact withstand capability of dropped payloads within containers. In recent years the FE community has seen significant progress and improvement in FSI techniques. These methods have been utilised to investigate the effects of a wet environment on payload behaviour for the regulatory drop test within a recent transport licence renewal application. Fluid flow and pressure vary significantly during a wet impact and the effects on the contents become complex when water is incorporated into the flask analyses. Modelling a fluid environment within the entire flask is considered impractical; hence a good understanding of the FSI techniques and assumptions regarding fluid boundaries is required in order to create a representative FSI model. Therefore, a Verification and Validation (V and V) exercise was undertaken to underpin the FSI techniques eventually utilised. A number of problems of varying complexity have been identified to test the FSI capabilities of the explicit code LS-DYNA, which is used in the extant dry container impact analyses. RADIOSS explicit code has been used for comparison, to provide further confidence in LS-DYNA predictions. Various methods of modelling fluid are tested, and the relative advantages and limitations of each method and FSI coupling approaches are discussed. Results from the V and V problems examined provided sufficient confidence that FSI effects within containers can be accurately modelled

  16. Evaluation of Seismic Hazards at California Department of Transportation (CALTRANS)Structures

    Science.gov (United States)

    Merriam, M. K.

    2005-12-01

    The California Department of Transportation (CALTRANS) has responsibility for design, construction, and maintenance of approximately 12,000 state bridges. CALTRANS also provides oversight for similar activities for 12,200 bridges owned by local agencies throughout the state. California is subjected to a M6 or greater seismic event every few years. Recent earthquakes include the 1971 Mw6.6 San Fernando earthquake which struck north of Los Angeles and prompted engineers to begin retrofitting existing bridges and re-examine the way bridges are detailed to improve their response to earthquakes, the 1989 Mw6.9 Loma Prieta earthquake which destroyed the Cypress Freeway and damaged the San Francisco-Oakland Bay Bridge, and the 1994 Mw6.7 Northridge earthquake in the Los Angeles area which heavily damaged four major freeways. Since CALTRANS' seismic performance goal is to ensure life-safety needs are met for the traveling public during an earthquake, estimating earthquake magnitude, peak bedrock acceleration, and determining if special seismic considerationsare needed at specific bridge sites are critical. CALTRANS is currently developing a fourth generation seismic hazard map to be used for estimating these parameters. A deterministic approach has been used to develop this map. Late-Quaternary-age faults are defined as the expected seismic sources. Caltrans requires site-specific studies to determine potential for liquefaction, seismically induced landslides, and surface fault rupture. If potential for one of these seismic hazards exists, the hazard is mitigated by avoidance, removal, or accommodated through design. The action taken, while complying with the Department's "no collapse" requirement, depends upon many factors, including cost.

  17. Structural basis of sterol recognition and nonvesicular transport by lipid transfer proteins anchored at membrane contact sites.

    Science.gov (United States)

    Tong, Junsen; Manik, Mohammad Kawsar; Im, Young Jun

    2018-01-30

    Membrane contact sites (MCSs) in eukaryotic cells are hotspots for lipid exchange, which is essential for many biological functions, including regulation of membrane properties and protein trafficking. Lipid transfer proteins anchored at membrane contact sites (LAMs) contain sterol-specific lipid transfer domains [StARkin domain (SD)] and multiple targeting modules to specific membrane organelles. Elucidating the structural mechanisms of targeting and ligand recognition by LAMs is important for understanding the interorganelle communication and exchange at MCSs. Here, we determined the crystal structures of the yeast Lam6 pleckstrin homology (PH)-like domain and the SDs of Lam2 and Lam4 in the apo form and in complex with ergosterol. The Lam6 PH-like domain displays a unique PH domain fold with a conserved N-terminal α-helix. The Lam6 PH-like domain lacks the basic surface for phosphoinositide binding, but contains hydrophobic patches on its surface, which are critical for targeting to endoplasmic reticulum (ER)-mitochondrial contacts. Structures of the LAM SDs display a helix-grip fold with a hydrophobic cavity and a flexible Ω1-loop as a lid. Ergosterol is bound to the pocket in a head-down orientation, with its hydrophobic acyl group located in the tunnel entrance. The Ω1-loop in an open conformation is essential for ergosterol binding by direct hydrophobic interaction. Structural comparison suggested that the sterol binding mode of the Lam2 SD2 is likely conserved among the sterol transfer proteins of the StARkin superfamily. Structural models of full-length Lam2 correlated with the sterol transport function at the membrane contact sites.

  18. EFFECTS OF PORE STRUCTURE CHANGE AND MULTI-SCALE HETEROGENEITY ON CONTAMINANT TRANSPORT AND REACTION RATE UPSCALING

    Energy Technology Data Exchange (ETDEWEB)

    Lindquist, W. Brent; Jones, Keith W.; Um, Wooyong; Rockhold, mark; Peters, Catherine A.; Celia, Michael A.

    2013-02-15

    This project addressed the scaling of geochemical reactions to core and field scales, and the interrelationship between reaction rates and flow in porous media. We targeted reactive transport problems relevant to the Hanford site - specifically the reaction of highly caustic, radioactive waste solutions with subsurface sediments, and the immobilization of 90Sr and 129I through mineral incorporation and passive flow blockage, respectively. We addressed the correlation of results for pore-scale fluid-soil interaction with field-scale fluid flow, with the specific goals of (i) predicting attenuation of radionuclide concentration; (ii) estimating changes in flow rates through changes of soil permeabilities; and (iii) estimating effective reaction rates. In supplemental work, we also simulated reactive transport systems relevant to geologic carbon sequestration. As a whole, this research generated a better understanding of reactive transport in porous media, and resulted in more accurate methods for reaction rate upscaling and improved prediction of permeability evolution. These scientific advancements will ultimately lead to better tools for management and remediation of DOE’s legacy waste problems. We established three key issues of reactive flow upscaling, and organized this project in three corresponding thrust areas. 1) Reactive flow experiments. The combination of mineral dissolution and precipitation alters pore network structure and the subsequent flow velocities, thereby creating a complex interaction between reaction and transport. To examine this phenomenon, we conducted controlled laboratory experimentation using reactive flow-through columns. Results and Key Findings: Four reactive column experiments (S1, S3, S4, S5) have been completed in which simulated tank waste leachage (STWL) was reacted with pure quartz sand, with and without Aluminum. The STWL is a caustic solution that dissolves quartz. Because Al is a necessary element in the formation of

  19. Electrical/thermal transport and electronic structure of the binary cobalt pnictides CoPn2 (Pn = As and Sb

    Directory of Open Access Journals (Sweden)

    Yosuke Goto

    2015-06-01

    Full Text Available We demonstrate the electrical and thermal transport properties of polycrystalline CoPn2 (Pn = As and Sb between 300 and 900 K. CoAs2 shows semiconducting electrical transport up to 900 K, while CoSb2 exhibits degenerate conduction. Sign inversion of the Seebeck coefficient is observed at ∼310 and ∼400 K for CoAs2 and CoSb2, respectively. Thermal conductivity at 300 K is 11.7 Wm−1K−1 for CoAs2 and 9.4 Wm−1K−1 for CoSb2. The thermoelectric power factor of CoAs2 is ∼10 μWcm−1K−2, although the dimensionless figure of merit is limited to ∼0.1 due to relatively high thermal conductivity. Using electronic structure calculations, the band gap value is calculated to be 0.55 eV for CoAs2 and 0.26 eV for CoSb2.

  20. Analgesic effect of GT-0198, a structurally novel glycine transporter 2 inhibitor, in a mouse model of neuropathic pain

    Directory of Open Access Journals (Sweden)

    Yu Omori

    2015-03-01

    Full Text Available This study was conducted to identify the characteristic pharmacological features of GT-0198 that is phenoxymethylbenzamide derivatives. GT-0198 inhibited the function of glycine transporter 2 (GlyT2 in human GlyT2-expressing HEK293 cells and did not bind various major transporters or receptors of neurotransmitters in a competitive manner. Thus, GT-0198 is considered to be a comparatively selective GlyT2 inhibitor. Intravenous, oral, and intrathecal injections of GT-0198 decreased the pain-related response in a model of neuropathic pain with partial sciatic nerve ligation. This result suggests that GT-0198 has an analgesic effect. The analgesic effect of GT-0198 was abolished by the intrathecal injection of strychnine, a glycine receptor antagonist. Therefore, GT-0198 is considered to exhibit its analgesic effect via the activation of a glycine receptor by glycine following presynaptic GlyT2 inhibition in the spinal cord. In summary, GT-0198 is a structurally novel GlyT2 inhibitor bearing a phenoxymethylbenzamide moiety with in vivo efficacy in behavioral models of neuropathic pain.

  1. The effects of gas diffusion layers structure on water transportation using X-ray computed tomography based Lattice Boltzmann method

    Science.gov (United States)

    Jinuntuya, Fontip; Whiteley, Michael; Chen, Rui; Fly, Ashley

    2018-02-01

    The Gas Diffusion Layer (GDL) of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) plays a crucial role in overall cell performance. It is responsible for the dissemination of reactant gasses from the gas supply channels to the reactant sites at the Catalyst Layer (CL), and the adequate removal of product water from reactant sites back to the gas channels. Existing research into water transport in GDLs has been simplified to 2D estimations of GDL structures or use virtual stochastic models. This work uses X-ray computed tomography (XCT) to reconstruct three types of GDL in a model. These models are then analysed via Lattice Boltzmann methods to understand the water transport behaviours under differing contact angles and pressure differences. In this study, the three GDL samples were tested over the contact angles of 60°, 80°, 90°, 100°, 120° and 140° under applied pressure differences of 5 kPa, 10 kPa and 15 kPa. By varying the contact angle and pressure difference, it was found that the transition between stable displacement and capillary fingering is not a gradual process. Hydrophilic contact angles in the region of 60°<θ < 90° showed stable displacement properties, whereas contact angles in the region of 100°<θ < 140° displayed capillary fingering characteristics.

  2. Electrical transport and capacitance characteristics of metal-insulator-metal structures using hexagonal and cubic boron nitride films as dielectrics

    Science.gov (United States)

    Teii, Kungen; Kawamoto, Shinsuke; Fukui, Shingo; Matsumoto, Seiichiro

    2018-04-01

    Metal-insulator-metal capacitor structures using thick hexagonal and cubic boron nitride (hBN and cBN) films as dielectrics are produced by plasma jet-enhanced chemical vapor deposition, and their electrical transport and capacitance characteristics are studied in a temperature range of 298 to 473 K. The resistivity of the cBN film is of the order of 107 Ω cm at 298 K, which is lower than that of the hBN film by two orders of magnitude, while it becomes the same order as the hBN film above ˜423 K. The dominant current transport mechanism at high fields (≥1 × 104 V cm-1) is described by the Frenkel-Poole emission and thermionic emission models for the hBN and cBN films, respectively. The capacitance of the hBN film remains stable for a change in alternating-current frequency and temperature, while that of the cBN film has variations of at most 18%. The dissipation factor as a measure of energy loss is satisfactorily low (≤5%) for both films. The origin of leakage current and capacitance variation is attributed to a high defect density in the film and a transition interlayer between the substrate and the film, respectively. This suggests that cBN films with higher crystallinity, stoichiometry, and phase purity are potentially applicable for dielectrics like hBN films.

  3. Structural and electrical transport properties of La2Mo2O9 thin films prepared by pulsed laser deposition

    Science.gov (United States)

    Paul, T.; Ghosh, A.

    2017-04-01

    We have studied the structure and electrical properties of La2Mo2O9 thin films of different thicknesses prepared by the laser deposition technique at different substrate temperatures. The structural properties of the thin films have been investigated using XRD, XPS, AFM, TEM, SEM, and Raman spectroscopy. The electrical transport properties of the thin films have been investigated in wide temperature and frequency ranges. The cubic nature of the thin films has been confirmed from structural analysis. An enhancement of the oxygen ion conductivity of the films up to five orders of magnitude is obtained compared to that of the bulk La2Mo2O9, suggesting usefulness of the thin films as electrolytes in micro-solid oxide fuel cells. The enhanced dc ionic conductivity of the thin films has been interpreted using the rule of the mixture model, while a power law model has been used to investigate the frequency and temperature dependences of the conductivity. The analysis of the results predicts the three-dimensional oxygen ion conduction in the thin films.

  4. The effect on radiation damage of structural material in a hybrid system by using a Monte Carlo radiation transport code

    International Nuclear Information System (INIS)

    Günay, Mehtap; Şarer, Başar; Kasap, Hızır

    2014-01-01

    Highlights: • The effects of some fluids on gas production rates in structural material were investigated. • The MCNPX-2.7.0 Monte Carlo code was used for three-dimensional calculations. • It was found that biggest contribution to gas production rates comes from Fe isotope of the. • The desirable values for 5% SFG-PuO 2 with respect to radiation damage were specified. - Abstract: In this study, the molten salt-heavy metal mixtures 99–95% Li20Sn80-1-5% SFG-Pu, 99–95% Li20Sn80-1-5% SFG-PuF4, 99-95% Li20Sn80-1-5% SFG-PuO2 were used as fluids. The fluids were used in the liquid first-wall, blanket and shield zones of the designed hybrid reactor system. 9Cr2WVTa ferritic steel with the width of 4 cm was used as the structural material. The parameters of radiation damage are proton, deuterium, tritium, He-3 and He-4 gas production rates. In this study, the effects of the selected fluid on the radiation damage, in terms of individual as well as total isotopes in the structural material, were investigated for 30 full power years (FPYs). Three-dimensional analyses were performed using the most recent version of the MCNPX-2.7.0 Monte Carlo radiation transport code and the ENDF/B-VII.0 nuclear data library

  5. Emergency diagnostics of load-carrying structures into the works transport

    Directory of Open Access Journals (Sweden)

    Artur BLUM

    2010-01-01

    Full Text Available Sudden increase of exploited cranes since 1970 year and implementation of European standards restricting safety factors ware cause of many breakdowns and accidents. That’s why act about technical supervision from 2000 year impose checkups of technical conditions of supporting structures every 12 months. Checkups include also welded joint and crane tracks. Aim of routine test is to find out if there are no damages which may affect on constructions safe exploitation. Routine tests give information if construction can be exploited. Article presents methodology of diagnostics inspection for defect detection of constructions and its practical application.

  6. Influence of time-periodic potentials on electronic transport in double-well structure

    International Nuclear Information System (INIS)

    Chun-Lei, Li; Yan, Xu

    2010-01-01

    Within the framework of the Floquet theorem, we have investigated single-electron photon-assisted tunneling in a double-well system using the transfer matrix technique. The transmission probability displays satellite peaks on both sides of the main resonance peaks and these satellite peaks originate from emission or absorption photons. The single-electron resonance tunneling can be controlled through changing the applied harmonically potential positions, such as driven potential in wells, in barriers, or in whole double-well systems. This advantage should be useful in the optimization of the parameters of a transmission device. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  7. Structural and Transport Properties of the Weyl Semimetal NbAs at High Pressure

    International Nuclear Information System (INIS)

    Zhang Jun; Liu Feng-Liang; Dong Jin-Kui; Xu Yang; Li Shi-Yan; Li Na-Na; Yang Wen-Ge

    2015-01-01

    We perform a series of high-pressure synchrotron x-ray diffraction (XRD) and resistance measurements on the Weyl semimetal NbAs. The crystal structure remains stable up to 26 GPa according to the powder XRD data. The resistance of NbAs single crystal increases monotonically with pressure at low temperature. Up to 20 GPa, no superconducting transition is observed down to 0.3 K. These results show that the Weyl semimetal phase is robust in NbAs, and applying pressure may not be a good way to obtain a topological superconductor from Weyl semimetal NbAs. (paper)

  8. Radiography of large-volume thick-walled structures using transportable high-energy sources

    International Nuclear Information System (INIS)

    Vanek, J.; Gross, E.

    1994-01-01

    Carried by a Renault Saviem truck, the ORION 4 MeV linear accelerator manufactured by the French company CGR MeV proved to be well suited for quality control of welded joints of heavy thick-walled facilities performed directly in the manufacturing plant halls or at the construction sites, as well as for radiographic testing of steel and concrete structures. The operating principles and parameters of the accelerator are given. Steel up to 200 mm thick and concrete up to 550 mm thick can be inspected. Dosimetric data show that the use of the accelerator is radiologically safe. (Z.S.). 2 figs., 5 refs

  9. Electronic heat, charge and spin transport in superconductor-ferromagnetic insulator structures

    Energy Technology Data Exchange (ETDEWEB)

    Bergeret, Sebastian [Materials Physics Center (CFM-CSIC), San Sebastian (Spain); Donostia International Physics Center (DIPC), San Sebastian (Spain)

    2015-07-01

    It is known for some time that a superconducting (S) film in contact with a ferromagnetic insulator (FI) exhibits a spin-splitting in the density of states (DoS). Recently we have explored different S-FI hybrid structures and predicted novel effects exploiting such spin-splitting of the DoS. In this talk I will briefly discuss (i) a heat valve based on a FI-S-I-S-FI Josephson junction; (ii) a thermoelectric transistor and (iii) the occurrence of a giant thermophase in a thermally-biased Josephson junction.

  10. Electronic structure, magnetic and transport properties of the Heusler shape memory alloy Mn{sub 2}NiGa

    Energy Technology Data Exchange (ETDEWEB)

    Blum, C.G.F. [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg - University, Mainz (Germany); Institute of Solid State Research, IFW Dresden, D-01171 Dresden (Germany); Ouardi, S.; Fecher, G.H.; Balke, B.; Felser, C. [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg - University, Mainz (Germany); Wurmehl, S.; Buechner, B. [Institute of Solid State Research, IFW Dresden, D-01171 Dresden (Germany); Ueda, S.; Kobayashi, K. [NIMS Beamline Station, National Institute for Materials Science, Hyogo 679-5148, Japan. (Germany)

    2011-07-01

    Magnetic shape memory based on Heusler compounds have received increasing interest, due their potential use for actuator and sensor applications. The single crystals Mn{sub 2}NiGa were grown by the optical floating zone method using a image furnace with vertical setup under a purified argon atmosphere. The both cubic (austenite) and tetragonal (martensite) phases of the sample were determined using temperature dependence powder x-ray diffraction XRD. The effect of martensitic transitions on the magnetic and transport properties of the compound was investigated by measuring the saturation magnetization, electrical resistivity {rho}(T), the Seebeck coefficient S(T) and magnetoresistance R{sub M}. All measurements detect clear signatures of the martensitic transition around room temperature with a thermal hysteresis up to 30 K. The electronic structures of the martensitic as well the austenitic phase were investigated using bulk-sensitive hard X-ray photoelectron spectroscopy (HAXPES).

  11. Electronic structure and thermoelectric transport properties of the golden Th2S3-type Ti2O3 under pressure

    Directory of Open Access Journals (Sweden)

    Bin Xu

    2016-05-01

    Full Text Available A lot of physical properties of Th2S3-type Ti2O3 have investigated experimentally, hence, we calculated electronic structure and thermoelectric transport properties by the first-principles calculation under pressure. The increase of the band gaps is very fast from 30GP to 35GP, which is mainly because of the rapid change of the lattice constants. The total density of states becomes smaller with increasing pressure, which shows that Seebeck coefficient gradually decreases. Two main peaks of Seebeck coefficients always decrease and shift to the high doping area with increasing temperature under pressure. The electrical conductivities always decrease with increasing temperature under pressure. The electrical conductivity can be improved by increasing pressure. Electronic thermal conductivity increases with increasing pressure. It is noted that the thermoelectric properties is reduced with increasing temperature.

  12. Current Transport Mechanisms and Capacitance Characteristic in the InN/InP Schottky Structures

    Directory of Open Access Journals (Sweden)

    K. AMEUR

    2014-05-01

    Full Text Available In this work, electrical characterization of the current-voltage and capacitance- voltage curves for the Metal/InN/InP Schottky structures are investigated. We have studied electrically thin InN films realized by the nitridation of InP (100 substrates using a Glow Discharge Source (GDS in ultra high vacuum. The I (V curves have exhibited anomalous two-step (kink forward bias behaviour; a suitable fit was only obtained by using a model of two discrete diodes in parallel. Thus, we have calculated, using I(V and C(V curves of Hg/InN/InP Schottky structures, the ideality factor n, the saturation current Is, the barrier height jB, the series resistance Rs, the doping concentration Nd and the diffusion voltage Vd. We have also presented the band diagram of this heterojunction which indicates the presence of a channel formed by holes at the interface InN/InP which explain by the presence of two-dimensional electron gas (2-DEG and this was noticed in the presentation of characteristics C(V.

  13. Magnetic transport property of NiFe/WSe{sub 2}/NiFe spin valve structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Kangkang [Key Lab of Opto-electronics Technology, Ministry of Education, College of Electronic Information and Control Engineering, Beijing University of Technology, Beijing 100124 (China); Key Lab of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (CAS), Suzhou 215123 (China); Xing, Yanhui, E-mail: xingyanhui@bjut.edu.cn [Key Lab of Opto-electronics Technology, Ministry of Education, College of Electronic Information and Control Engineering, Beijing University of Technology, Beijing 100124 (China); Han, Jun [Key Lab of Opto-electronics Technology, Ministry of Education, College of Electronic Information and Control Engineering, Beijing University of Technology, Beijing 100124 (China); Feng, Jiafeng [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences (CAS), Beijing 100190 (China); Shi, Wenhua; Zhang, Baoshun [Key Lab of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (CAS), Suzhou 215123 (China); Zeng, Zhongming, E-mail: zmzeng2012@sinano.ac.cn [Key Lab of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (CAS), Suzhou 215123 (China)

    2017-06-15

    Highlight: • Two-dimensional (2D) materials have been proposed as promising candidate for spintronic applications due to their atomic crystal structure and physical properties. • In this article, we introduce exfoliated few-layer tungsten diselenide (WSe{sub 2}) as spacer in a Py/WSe{sub 2}/Py vertical spin valve. • In this junction, the WSe{sub 2} spacer exhibits metallic behavior. • We observed negative magnetoresistance (MR) with a ratio of −1.1% at 4 K and −0.21% at 300 K. • A general phenomenological analysis of the negative MR property is discussed. • Our result is anticipated to be beneficial for future spintronic applications. - Abstract: Two-dimensional (2D) materials have been proposed as promising candidate for spintronic applications due to their atomic crystal structure and physical properties. Here, we introduce exfoliated few-layer tungsten diselenide (WSe{sub 2}) as spacer in a Py/WSe{sub 2}/Py vertical spin valve. In this junction, the WSe{sub 2} spacer exhibits metallic behavior. We observed negative magnetoresistance (MR) with a ratio of −1.1% at 4 K and −0.21% at 300 K. A general phenomenological analysis of the negative MR property is discussed. Our result is anticipated to be beneficial for future spintronic applications.

  14. Structure and transport of aqueous electrolytes: From simple halides to radionuclide ions

    Energy Technology Data Exchange (ETDEWEB)

    Hartkamp, Remco, E-mail: hartkamp@mit.edu; Coasne, Benoit, E-mail: benoit.coasne@enscm.fr [Institut Charles Gerhardt Montpellier, CNRS (UMR 5253), Université Montpellier 2, ENSCM, 8 rue de l’Ecole Normale, 34296 Montpellier Cedex 05 (France); MultiScale Material Science for Energy and Environment, CNRS/MIT (UMI 3466), Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States)

    2014-09-28

    Molecular simulations are used to compare the structure and dynamics of conventional and radioactive aqueous electrolytes: chloride solutions with sodium, potassium, cesium, calcium, and strontium. The study of Cs{sup +} and Sr{sup 2+} is important because these radioactive ions can be extremely harmful and are often confused by living organisms for K{sup +} and Ca{sup 2+}, respectively. Na{sup +}, Ca{sup 2+}, and Sr{sup 2+} are strongly bonded to their hydration shell because of their large charge density. We find that the water molecules in the first hydration shell around Na{sup +} form hydrogen bonds between each other, whereas molecules in the first hydration shell around Ca{sup 2+} and Sr{sup 2+} predominantly form hydrogen bonds with water molecules in the second shell. In contrast to these three ions, K{sup +} and Cs{sup +} have low charge densities so that they are weakly bonded to their hydration shell. Overall, the structural differences between Ca{sup 2+} and Sr{sup 2+} are small, but the difference between their coordination numbers relative to their surface areas could potentially be used to separate these ions. Moreover, the different decays of the velocity-autocorrelation functions corresponding to these ions indicates that the difference in mass could be used to separate these cations. In this work, we also propose a new definition of the pairing time that is easy to calculate and of physical significance regardless of the problem at hand.

  15. Coherent mesoscale eddies in the North Atlantic subtropical gyre: 3-D structure and transport with application to the salinity maximum

    Science.gov (United States)

    Amores, Angel; Melnichenko, Oleg; Maximenko, Nikolai

    2017-01-01

    The mean vertical structure and transport properties of mesoscale eddies are investigated in the North Atlantic subtropical gyre by combining historical records of Argo temperature/salinity profiles and satellite sea level anomaly data in the framework of the eddy tracking technique. The study area is characterized by a low eddy kinetic energy and sea surface salinity maximum. Although eddies have a relatively weak signal at surface (amplitudes around 3-7 cm), the eddy composites reveal a clear deep signal that penetrates down to at least 1200 m depth. The analysis also reveals that the vertical structure of the eddy composites is strongly affected by the background stratification. The horizontal patterns of temperature/salinity anomalies can be reconstructed by a linear combination of a monopole, related to the elevation/depression of the isopycnals in the eddy core, and a dipole, associated with the horizontal advection of the background gradient by the eddy rotation. A common feature of all the eddy composites reconstructed is the phase coherence between the eddy temperature/salinity and velocity anomalies in the upper ˜300 m layer, resulting in the transient eddy transports of heat and salt. As an application, a box model of the near-surface layer is used to estimate the role of mesoscale eddies in maintaining a quasi-steady state distribution of salinity in the North Atlantic subtropical salinity maximum. The results show that mesoscale eddies are able to provide between 4 and 21% of the salt flux out of the area required to compensate for the local excess of evaporation over precipitation.

  16. Structure, magnetism, and electron-transport properties of Mn2CrGa-based nanomaterials

    Directory of Open Access Journals (Sweden)

    Wenyong Zhang

    2016-05-01

    Full Text Available Mn2CrGa in the disordered cubic structure has been synthesized using rapid quenching and subsequent annealing. The cubic phase transforms to a stable tetragonal phase when a fraction of Cr or Ga is replaced by Pt or Al, respectively. All samples are ferrimagnetic with high Curie temperatures (Tc; Mn2CrGa exhibits the highest Tc of about 813 K. The tetragonal samples have appreciable values of magnetocrystalline anisotropy energy, which leads to an increase in coercivity (Hc that approaches about 10 kOe in the Pt-doped sample. The Hc linearly increases with a decrease of temperature, concomitant with the anisotropy change with temperature. All samples are metallic and show negative magnetoresistance with room-temperature resistivities on the order of 1 mΩcm. The magnetic properties including high Tc and low magnetic moment suggest that these tetragonal materials have potential for spin-transfer-torque-based devices.

  17. Structural, transport and microwave properties of 123/sapphire films: Thickness effect

    Energy Technology Data Exchange (ETDEWEB)

    Predtechensky, MR.; Smal, A.N.; Varlamov, Y.D. [Institute of Thermophysics, Novosibirsk (Russian Federation)] [and others

    1994-12-31

    The effect of thickness and growth conditions on the structure and microwave properties has been investigated for the 123/sapphire films. It has been shown that in the conditions of epitaxial growth and Al atoms do not diffuse from substrate into the film and the films with thickness up to 100nm exhibit the excellent DC properties. The increase of thickness of GdBaCuO films causes the formation of extended line-mesh defects and the increase of the surface resistance (R{sub S}). The low value of surface resistance R{sub S}(75GHz,77K)=20 mOhm has been obtained for the two layer YBaCuO/CdBaCuO/sapphire films.

  18. Structure of zinc particles formed by condensation for transportation to an analytic device

    Energy Technology Data Exchange (ETDEWEB)

    Barone, T.; Wochele, J.; Ludwig, C.; Schuler, A.J.; Ketterer, B.

    2002-03-01

    Aerosol containing small particles with homogeneous structural characteristics are desired for analysis in Inductively Coupled Plasma Optical Emission Spectrometer (ICP-OES). To investigate heavy metal evaporation behaviour during thermal treatment a laboratory on-line elemental analyzer has been developed. The analyzer consists of a Condensation Interface (CI) for the generation of aerosols and an ICP-OES as detector. The settings at the CI can strongly influence the particle formation, and therefore the quality of the measurements. To improve the method preliminary experiments were conducted to investigate the characteristics of zinc particles formed in the evaporation/condensation process. System conditions, such as vaporization temperature, carrier gas, and flow rate, were varied to investigate their influence on particle size, homogeneity and shape. The experiments suggest that particles vary most with temperature, lower vaporization temperatures resulted in the formation of smaller particles. (author)

  19. Varying the charge of small cations in liquid water: Structural, transport, and thermodynamical properties

    Science.gov (United States)

    Martelli, Fausto; Vuilleumier, Rodolphe; Simonin, Jean-Pierre; Spezia, Riccardo

    2012-10-01

    In this work, we show how increasing the charge of small cations affects the structural, thermodynamical, and dynamical properties of these ions in liquid water. We have studied the case of lanthanoid and actinoid ions, for which we have recently developed accurate polarizable force fields, and the ionic radius is in the 0.995-1.250 Å range, and explored the valency range from 0 to 4+. We found that the ion charge strongly structures the neighboring water molecules and that, in this range of charges, the hydration enthalpies exhibit a quadratic dependence with respect to the charge, in line with the Born model. The diffusion process follows two main regimes: a hydrodynamical regime for neutral or low charges, and a dielectric friction regime for high charges in which the contraction of the ionic radius along the series of elements causes a decrease of the diffusion coefficient. This latter behavior can be qualitatively described by theoretical models, such as the Zwanzig and the solvated ion models. However, these models need be modified in order to obtain agreement with the observed behavior in the full charge range. We have thus modified the solvated ion model by introducing a dependence of the bare ion radius as a function of the ionic charge. Besides agreement between theory and simulation this modification allows one to obtain an empirical unified model. Thus, by analyzing the contributions to the drag coefficient from the viscous and the dielectric terms, we are able to explain the transition from a regime in which the effect of viscosity dominates to one in which dielectric friction governs the motion of ions with radii of ca. 1 Å.

  20. The dynamical structure of the MEO region: long-term stability, chaos, and transport

    Science.gov (United States)

    Daquin, Jérôme; Rosengren, Aaron J.; Alessi, Elisa Maria; Deleflie, Florent; Valsecchi, Giovanni B.; Rossi, Alessandro

    2016-04-01

    It has long been suspected that the Global Navigation Satellite Systems exist in a background of complex resonances and chaotic motion; yet, the precise dynamical character of these phenomena remains elusive. Recent studies have shown that the occurrence and nature of the resonances driving these dynamics depend chiefly on the frequencies of nodal and apsidal precession and the rate of regression of the Moon's nodes. Woven throughout the inclination and eccentricity phase space is an exceedingly complicated web-like structure of lunisolar secular resonances, which become particularly dense near the inclinations of the navigation satellite orbits. A clear picture of the physical significance of these resonances is of considerable practical interest for the design of disposal strategies for the four constellations. Here we present analytical and semi-analytical models that accurately reflect the true nature of the resonant interactions, and trace the topological organization of the manifolds on which the chaotic motions take place. We present an atlas of FLI stability maps, showing the extent of the chaotic regions of the phase space, computed through a hierarchy of more realistic, and more complicated, models, and compare the chaotic zones in these charts with the analytical estimation of the width of the chaotic layers from the heuristic Chirikov resonance-overlap criterion. As the semi-major axis of the satellite is receding, we observe a transition from stable Nekhoroshev-like structures at three Earth radii, where regular orbits dominate, to a Chirikov regime where resonances overlap at five Earth radii. From a numerical estimation of the Lyapunov times, we find that many of the inclined, nearly circular orbits of the navigation satellites are strongly chaotic and that their dynamics are unpredictable on decadal timescales.

  1. Evaluation on the structural soundness of the transport package for low-level radioactive waste for subsurface disposal against aircraft impact by finite element method

    International Nuclear Information System (INIS)

    Itoh, Chihiro

    2009-01-01

    The structural analysis of aircraft crush on the transport package for low-level radioactive waste was performed using the impact force which was already used for the evaluation of the high-level waste transport package by LSDYNA code. The transport package was deformed, and stresses due to the crush exceeded elastic range. However, plastic strains yieled in the package were far than the elongation of the materials and the body of the package did not contact the disposal packages due to the deformation of the package. Therefore, it was confirmed that the package keeps its integrity against aircraft crush. (author)

  2. Structure and Mechanism of Proton Transport Through the Transmembrane Tetrameric M2 Protein Bundle of the Influenza A Virus

    Energy Technology Data Exchange (ETDEWEB)

    R Acharya; V Carnevale; G Fiorin; B Levine; A Polishchuk; V Balannick; I Samish; R Lamb; L Pinto; et al.

    2011-12-31

    The M2 proton channel from influenza A virus is an essential protein that mediates transport of protons across the viral envelope. This protein has a single transmembrane helix, which tetramerizes into the active channel. At the heart of the conduction mechanism is the exchange of protons between the His37 imidazole moieties of M2 and waters confined to the M2 bundle interior. Protons are conducted as the total charge of the four His37 side chains passes through 2{sup +} and 3{sup +} with a pK{sub a} near 6. A 1.65 {angstrom} resolution X-ray structure of the transmembrane protein (residues 25-46), crystallized at pH 6.5, reveals a pore that is lined by alternating layers of sidechains and well-ordered water clusters, which offer a pathway for proton conduction. The His37 residues form a box-like structure, bounded on either side by water clusters with well-ordered oxygen atoms at close distance. The conformation of the protein, which is intermediate between structures previously solved at higher and lower pH, suggests a mechanism by which conformational changes might facilitate asymmetric diffusion through the channel in the presence of a proton gradient. Moreover, protons diffusing through the channel need not be localized to a single His37 imidazole, but instead may be delocalized over the entire His-box and associated water clusters. Thus, the new crystal structure provides a possible unification of the discrete site versus continuum conduction models.

  3. Influence of magnetic field-aided filler orientation on structure and transport properties of ferrite filled composites

    Energy Technology Data Exchange (ETDEWEB)

    Goc, K., E-mail: Kamil.Goc@fis.agh.edu.pl [Department of Solid State Physics, AGH University of Science and Technology, 30 Mickiewicza Street, 30-059 Krakow (Poland); Gaska, K.; Klimczyk, K.; Wujek, A.; Prendota, W.; Jarosinski, L. [Department of Solid State Physics, AGH University of Science and Technology, 30 Mickiewicza Street, 30-059 Krakow (Poland); Rybak, A.; Kmita, G. [ABB Corporate Research Center, 13A Starowislna Street, 31-038 Krakow (Poland); Kapusta, Cz. [Department of Solid State Physics, AGH University of Science and Technology, 30 Mickiewicza Street, 30-059 Krakow (Poland)

    2016-12-01

    Epoxy resins are materials commonly used for insulations and encapsulations due to their easy processing process and mechanical strength. For their applications in power industry and electronics the effective heat dissipation is essential, thus their thermal conductivity is one of the most important properties. Introduction of appropriate dielectric powders, preferably in an ordered way, can increase the thermal conductivity of the polymer while keeping its good electrical insulation properties. In this work we used strontium ferrite as a filler to study the evolution of the filler particles distribution in the fluid before curing. Magnetic ferrite particles were dispersed in liquid epoxy resin and formation of chain-like or more complex structures under applied external magnetic field was observed and investigated. Computer simulations made show that with increasing magnetic field these structures are characterized by longer chains, higher speed of particles displacement and stronger structural anisotropy. However, for highly-filled systems, stronger inter-particle interactions make the alignment process less effective. The effective thermal conductivity simulated with FEM methods increases with increasing filler content and the percolation threshold in aligned systems is achieved at lower filler concentrations than for reference isotropic samples. The results are compared with the experimental data and a good qualitative agreement is obtained. - Highlights: • Influence of magnetic field on the particle chains in epoxy composites is analysed. • Strontium ferrite fillers with good thermal and low electrical conductivity. • Influence of interparticle interactions for agglomeration efficiency. • The impact of chains formed on the heat transfer by creating conductive paths. • Connection between structural anisotropy and transport properties anisotropy.

  4. Structural, Magnetic, and Transport Properties of Polymer-Nano ferrite Composites

    International Nuclear Information System (INIS)

    Imam, N.G.G.

    2013-01-01

    In this work, a series of (x) BaTiO 3 / (1-x) Ni 0.5 Zn 0.5 Fe 2 O 4 nano composite samples were prepared using citrate auto combustion and the samples were classified into three groups.In first group: A series of (x) BaTiO 3 / (1-x) Ni 0.5 Zn 0.5 Fe 2 O 4 ; 0.0≤ x ≤ 1.0 were prepared by double sintering technique and citrate auto combustion method in comparison study due to different characterization analysis. The comparison reveals that from X-ray diffraction; all the samples from the two methods formed in single phase in both; cubic spinel structure NiZnFe 2 O 4 (NZF) ferrite and perovskite tetragonal structure BaTiO 3 (BTO).In group two, in another compassion, multiferroic hybrid nano composites based on different polymers as a matrix for the prepared magnetoelectric biferroic nano composite system 0.5 BaTiO 3 / 0.5Ni 0.5 Zn 0.5 Fe 2 O 4 that has been prepared by citrate auto combustion method. Four different polymers namely poly aniline (PANI), polyvinyl acetate (PVAc), Polyvinyl pyrrolidone (PVP), and polyethylene glycol (PEG), with fixed ration (1:1) with respect to the dispersed magnetoelectric nano composite.In group three, the nano composites materials with formula (1-y) [0.5 BaTiO 3 / 0.5 Ni 0.5 Zn 0.5 Fe 2 O 4 ] / (y) (PEG); 0.0 ≤y ≤+ 1.0, have been prepared at room temperature by weight mixing and cold pressing. Physical properties of nano composite materials consisting different ratios of polyethylene glycol were investigated. With the variation of y content, typical magnetic hysteresis loops of nano composites have been observed in the nano composites at room temperature. When PEG content increase, the saturation magnetization decrease. Meanwhile, the coercive force tends to stable. Additionally, the dielectric constant (ε ' ) and dielectric loss factor (ε '' ) of nano composites materials shift toward higher frequency. The value of (ε ' ) decreased with increasing frequency, which indicates that the major contribution

  5. Magnetic, transport and electronic structure properties of U2RuGa8

    International Nuclear Information System (INIS)

    Troc, R.; Bukowski, Z.; SuIkowski, C.; Morkowski, J.A.; Szajek, A.; CheIkowska, G.

    2005-01-01

    A single crystal of uranium ternary intermetallic of U 2 RuGa 8 was grown by the Ga self-flux method. This compound crystallizes in the tetragonal unit cell of space group P4/mmm. Despite the fairly large U-U shortest distance of 4.22A, this compound shows no signs of any magnetic ordering down to 1.9K. Instead, the susceptibility measured along the a and c axes, goes through a broad maximum at T max =220K showing a distinct anisotropy. For j||a there is a weak temperature dependence of the electrical resistivity with a large value of ρ 0 =117μΩcm, while for j||c the ρ(T) curve goes through a maximum at about 130K. The magnetoresistivity measured along two crystallographic directions is small and positive. The thermopower S for the two directions studied is positive and larger along the a-axis. It goes through a broad maximum at 175K reaching a value of 45μV/K. The electronic structure has been calculated by the tight-binding linear muffin-tin orbital method (TB-LMTO) and the results were used in calculation of the valence band near the Fermi level compared next to that found in photoemission experiment. The core 4f spectra are also presented. All the above properties are discussed in view of mixed valence behaviour of uranium atom in this compound

  6. Technical and Structural Innovations to European Transport in 21'1 Century

    Directory of Open Access Journals (Sweden)

    Wolf Tietze

    2012-10-01

    Full Text Available The aim of this study is to draw attention to the developmentopportunities presented to the population of Europe andbeyond, on the threshold of the 2JS1 centwy, resulting from thenew geopolitical situation and available technical innovations,plus the necessary decision-making required in the field oftransport politics. With the introduction of the unitary money,the Euro, giving further definition to the continental economicregion, new needs arise demanding an appropriate transportsystem. For this a Europe-wide Maglev net is essential. It musttake over quickly an increasing part of the traffic now carried inpart by road, in part by the conventional railway, in part by air.It appears wise to consider critically and to amend the generallyuncoordinated and partial renewals of the old system from thepoint of view of a continental-wide future, and with reference tothe superior ecological and economic advantages of moderntechniques coming to fruition in the Transrapid system. Theconsequences for future settlement structures and site evaluationare demonstrated by examples. The contrasts between thesystems should be clear in the comparative table of data (Table1. In addition, basic technical and political considerations arepresented by vGiious European experts in the booklet"Transrapid-Verkehr in Europa" [1].

  7. Molecular basis for the redox control of nuclear transport of the structural chromatin protein Hmgb1

    International Nuclear Information System (INIS)

    Hoppe, George; Talcott, Katherine E.; Bhattacharya, Sanjoy K.; Crabb, John W.; Sears, Jonathan E.

    2006-01-01

    Oxidative stress can induce a covalent disulfide bond between protein and peptide thiols that is reversible through enzymatic catalysis. This process provides a post-translational mechanism for control of protein function and may also protect thiol groups from irreversible oxidation. High mobility group protein B1 (Hmgb1), a DNA-binding structural chromosomal protein and transcriptional co-activator was identified as a substrate of glutaredoxin. Hmgb1 contains 3 cysteines, Cys23, 45, and 106. In mild oxidative conditions, Cys23 and Cys45 readily form an intramolecular disulfide bridge, whereas Cys106 remains in the reduced form. The disulfide bond between Cys23 and Cys45 is a target of glutathione-dependent reduction by glutaredoxin. Endogenous Hmgb1 as well as GFP-tagged wild-type Hmgb1 co-localize in the nucleus of CHO cells. While replacement of Hmgb1 Cys23 and/or 45 with serines did not affect the nuclear distribution of the mutant proteins, Cys106-to-Ser and triple cysteine mutations impaired nuclear localization of Hmgb1. Our cysteine targeted mutational analysis suggests that Cys23 and 45 induce conformational changes in response to oxidative stress, whereas Cys106 appears to be critical for the nucleocytoplasmic shuttling of Hmgb1

  8. Studies on the structure and transport properties of hexanoyl chitosan-based polymer electrolytes

    International Nuclear Information System (INIS)

    Winie, Tan; Ramesh, S.; Arof, A.K.

    2009-01-01

    Polymer electrolytes composed of hexanoyl chitosan as the host polymer, lithium trifluoromethanesulfonate (LiCF 3 SO 3 ) as the salt, diethyl carbonate (DEC)/ethylene carbonate (EC) as the plasticizers were prepared and characterized by X-ray diffraction and impedance spectroscopy. The X-ray diffraction results reveal the variation in conductivity from structural aspect. This is reflected in terms of amorphous content. Sample with higher amorphous content exhibits higher conductivity. In order to further understand the source of the conductivity variation with varying plasticizers compositions as well as temperatures, the ionic charge carrier concentration and their mobility in polymer electrolyte were determined. The Rice and Roth model was proposed to be used to estimate the ionic charge carrier concentration, n. Knowing n and combining the result with dc conductivity, the mobility of the ionic charge carrier can be calculated. It is found that the conductivity change with DEC/EC composition is due mainly to the change in ionic charge carrier concentration while the conductivity change with temperature is due primarily to the change in mobility.

  9. The molecular dynamics simulation of structure and transport properties of sheared super-cooled liquid metal

    International Nuclear Information System (INIS)

    Wang Li; Liu Xiangfa; Zhang Yanning; Yang Hua; Chen Ying; Bian Xiufang

    2003-01-01

    Much more attention has been paid to the microstructure of liquid metal under non-ordinary condition recently. In this Letter, the pair correlation function (PCF), together with internal energy of sheared super-cooled liquid Co as a function of temperature has been calculated by molecular dynamics simulation based upon the embedded atom method (EAM) and analyzed compared to that under normal condition. The finding indicates that there exist three obvious peaks of PCF for liquid Co; while as the shear stress is applied to the liquid, the first and second peaks of PCF become lower, the third peak disappeared. The concentric shell structure representing short-range order of liquid still exists, however, it is weakened by the addition of shear stress, leading to the increases of disordering degree of liquid metal. The curves of energy versus temperature suggest the higher crystalline temperature compared to that under normal condition at the same cooling rate. In addition, the viscosity of super-liquid Co is calculated by non-equilibrium molecular dynamics (NEMD)

  10. Connecting Structural and Transport Properties of Ionic Liquids with Cationic Oligoether Chains

    Energy Technology Data Exchange (ETDEWEB)

    Lall-Ramnarine, Sharon I.; Zhao, Man; Rodriguez, Chanele; Fernandez, Rahonel; Zmich, Nicole; Fernandez, Eddie D.; Dhiman, Surajdevprakash B.; Castner, Edward W.; Wishart, James F.

    2017-01-01

    X-ray diffraction and molecular dynamics simulations were used to probe the structures of two families of ionic liquids containing oligoether tails on the cations. Imidazolium and pyrrolidinium bis(trifluoromethylsulfonyl)amide ILs with side chains ranging from 4 to 10 atoms in length, including both linear alkyl and oligo-ethylene oxide tails, were prepared. Their physical properties, such as viscosity, conductivity and thermal profile, were measured and compared for systematic trends. Consistent with earlier literature, a single ether substituent substantially decreases the viscosity of pyrrolidinium and imidazolium ILs compared to their alkyl congeners. Remarkably, as the number of ether units in the pyrrolidinium ILs increases there is hardly any increase in the viscosity, in contrast to alkylpyrrolidinium ILs where the viscosity increases steadily with chain length. Viscosities of imidazolium ether ILs increase with chain length but always remain well below their alkyl congeners. To complement the experimentally determined properties, molecular dynamics simulations were run on the two ILs with the longest ether chains. The results point to specific aspects that could be useful for researchers designing ILs for specific applications.

  11. Studies on the structure and transport properties of hexanoyl chitosan-based polymer electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Winie, Tan, E-mail: tanwinie@salam.uitm.edu.m [Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam (Malaysia); Ramesh, S. [Faculty of Engineering and Science, University Tunku Abdul Rahman, 53300 Kuala Lumpur (Malaysia); Arof, A.K. [Physics Department, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2009-11-15

    Polymer electrolytes composed of hexanoyl chitosan as the host polymer, lithium trifluoromethanesulfonate (LiCF{sub 3}SO{sub 3}) as the salt, diethyl carbonate (DEC)/ethylene carbonate (EC) as the plasticizers were prepared and characterized by X-ray diffraction and impedance spectroscopy. The X-ray diffraction results reveal the variation in conductivity from structural aspect. This is reflected in terms of amorphous content. Sample with higher amorphous content exhibits higher conductivity. In order to further understand the source of the conductivity variation with varying plasticizers compositions as well as temperatures, the ionic charge carrier concentration and their mobility in polymer electrolyte were determined. The Rice and Roth model was proposed to be used to estimate the ionic charge carrier concentration, n. Knowing n and combining the result with dc conductivity, the mobility of the ionic charge carrier can be calculated. It is found that the conductivity change with DEC/EC composition is due mainly to the change in ionic charge carrier concentration while the conductivity change with temperature is due primarily to the change in mobility.

  12. Heat insulating structure for use in transporting and handling gas of high temperature and pressure

    International Nuclear Information System (INIS)

    Mathusima, T.; Sato, T.; Uenishi, A.

    1980-01-01

    A heat insulating structure is described that has a heat-resistant tube disposed in a tubular cylindrical body and defining a passage for a high temperature gas, a heat insulating material disposed between the tube and the tubular cylindrical body and adapted to prevent the heat possessed by the gas from being transmitted to the tubular cylindrical body, and a spring adapted to bias the heat insulating material toward the inner surface of the tubular cylindrical body, so as to prevent the formation of a bypass passage for the gas including the gap between the tubular cylindrical body and the heat insulating material. The heat insulating material consists of a plurality of fibrous heat insulating materials mainly consisting of bulky fibrous materials and a plurality of shaped fibrous heat insulating materials. These fibrous heat insulating materials and the shaped fibrous heat insulating materials are arranged alternatingly and independently in the axial direction. In each of the bulky fibrous heat insulating material, disposed is a spring for biasing the shaped fibrous heat insulating material in the axial direction

  13. Magnetic-field-driven electron transport in ferromagnetic/ insulator/semiconductor hybrid structures

    Science.gov (United States)

    Volkov, N. V.; Tarasov, A. S.; Rautskii, M. V.; Lukyanenko, A. V.; Varnakov, S. N.; Ovchinnikov, S. G.

    2017-10-01

    Extremely large magnetotransport phenomena were found in the simple devices fabricated on base of the Me/SiO2/p-Si hybrid structures (where Me are Mn and Fe). These effects include gigantic magnetoimpedance (MI), dc magnetoresistance (MR) and the lateral magneto-photo-voltaic effect (LMPE). The MI and MR values exceed 106% in magnetic field about 0.2 T for Mn/SiO2/p-Si Schottky diode. LMPE observed in Fe/SiO2/p-Si lateral device reaches the value of 104% in a field of 1 T. We believe that in case with the Schottky diode MR and MI effects are originate from magnetic field influence on impact ionization process by two different ways. First, the trajectory of the electron is deflected by a magnetic field, which suppresses acquisition of kinetic energy and therefore impact ionization. Second, the magnetic field gives rise to shift of the acceptor energy levels in silicon to a higher energy. As a result, the activation energy for impact ionization significantly increases and consequently threshold voltage rises. Moreover, the second mechanism (acceptor level energy shifting in magnetic field) can be responsible for giant LMPE.

  14. Transport Statistics - Transport - UNECE

    Science.gov (United States)

    Sustainable Energy Statistics Trade Transport Themes UNECE and the SDGs Climate Change Gender Ideas 4 Change UNECE Weekly Videos UNECE Transport Areas of Work Transport Statistics Transport Transport Statistics About us Terms of Reference Meetings and Events Meetings Working Party on Transport Statistics (WP.6

  15. Molecular structure, photoluminescent and electroluminescent properties of bis(2-(4-methyl-2-hydroxyphenyl)benzothiazolate) zinc with excellent electron-transport characteristics

    International Nuclear Information System (INIS)

    Xu Huixia; Xu Bingshe; Fang Xiaohong; Yue Yan; Chen Liuqing; Wang Hua; Hao Yuying

    2011-01-01

    Highlights: → The synthesis, crystal structure and photophysical properties of Zn(4-MeBTZ) 2 were reported. → The electron-transport property was investigated by theoretical calculations and experimental. → We found that Zn(4-MeBTZ) 2 has a higher electron mobility than that of [Zn(BTZ) 2 ] 2 and the devices based on it have a lower turn-on voltage. - Abstract: In this article, the molecular structure, photoluminescent and electroluminescent properties of bis(2-(4-methyl-2-hydroxyphenyl) benzothiazolate) zinc (Zn(4-MeBTZ) 2 ) with good electron-transport characteristics were reported. This complex was identified as triclinic structure with the strong intermolecular π-π stacking interactions between the benzothiazolate/phenoxido rings and weak intramolecular hydrogen bonds by X-ray single-crystal diffraction. Quantum chemical method has been employed to investigate electron structure and charge transport property. The blue-green light emission was observed by fabricating double-layer devices using Zn(4-MeBTZ) 2 as electron-transport and NPB as hole-transport material. The performance of organic light-emitting devices based on Zn(4-MeBTZ) 2 is much better than that of the devices based on [Zn(BTZ) 2 ] 2 .

  16. Phosphorylated and nucleotide sugar metabolism in relation to cell wall production in Avena coleoptiles treated with fluoride and peroxyacetyl nitrate

    International Nuclear Information System (INIS)

    Gordon, W.C.; Ordin, L.

    1972-01-01

    Coleoptile sections of Avena sativa L. were pretreated with sodium fluoride or peroxyacetyl nitrate at levels which inhibit auxin-induced growth but did not affect glucose-uptake or CO production when postincubated for 30 minutes in a 14 C-glucose medium without auxin. Labeling of metabolites involved in cell wall synthesis was measured. Peroxyacetyl nitrate decreased labeling, and it was concluded that the pool size of uridine diphosphoglucose, sucrose, and cell wall polysaccharides decreased compared to control. The changes suggest that peroxyacetyl nitrate inactivated sucrose and cell wall synthesizing enzymes including cellulose synthetase and decreased cell growth by inhibiting production of cell wall constituents. Fluoride treatment had no effect on production of cell wall polysaccharides, with or without indoleacetic acid stimulation of growth. The only change after fluoride treatment was a decrease in uridine diphosphoglucose during incubation without indoleacetic acid, a decrease that disappeared when indoleacetic acid was present. It was concluded that some other aspect of cell wall metabolism, not determined here, was involved in fluoride-induced inhibition of growth. 16 references, 3 figures, 2 tables

  17. Di-hadron azimuthal correlation and Mach-like cone structure in a parton/hadron transport model

    International Nuclear Information System (INIS)

    Ma, G.L.; Zhang, S.; Ma, Y.G.; Huang, H.Z.; Cai, X.Z.; Chen, J.H.; He, Z.J.; Long, J.L.; Shen, W.Q.; Shi, X.H.; Zuo, J.X.

    2006-01-01

    In the framework of a multi-phase transport model (AMPT) with both partonic and hadronic interactions, azimuthal correlations between trigger particles and associated scattering particles have been studied by the mixing-event technique. The momentum ranges of these particles are 3 T trig T assoc T trig T assoc NN =200 GeV. A Mach-like structure has been observed in correlation functions for central collisions. By comparing scenarios with and without parton cascade and hadronic rescattering, we show that both partonic and hadronic dynamical mechanisms contribute to the Mach-like structure of the associated particle azimuthal correlations. The contribution of hadronic dynamical process cannot be ignored in the emergence of Mach-like correlations of the soft scattered associated hadrons. However, hadronic rescattering alone cannot reproduce experimental amplitude of Mach-like cone on away-side, and the parton cascade process is essential to describe experimental amplitude of Mach-like cone on away-side. In addition, both the associated multiplicity and the sum of p T decrease, while the T > increases, with the impact parameter in the AMPT model including partonic dynamics from string melting scenario

  18. Transport properties of Dirac electrons in graphene based double velocity-barrier structures in electric and magnetic fields

    International Nuclear Information System (INIS)

    Liu, Lei; Li, Yu-Xian; Liu, Jian-Jun

    2012-01-01

    Using transfer matrix method, transport properties in graphene based double velocity-barrier structures under magnetic and electric fields are numerically studied. It is found that velocity barriers for the velocity ratio (the Fermi velocity inside the barrier to that outside the barrier) less than one (or for the velocity ratio greater than one) have properties similar to electrostatic wells (or barriers). The velocity barriers for the velocity ratio greater than one significantly enlarge the resonant tunneling region of electrostatic barriers. In the presence of magnetic field, the plateau width of the Fano factor with a Poissonian value shortens (or broadens) for the case of the velocity ratio less than one (or greater than one). When the Fermi energy is equal to the electrostatic barrier height, for different values of the velocity ratio, both the conductivities and the Fano factors remain fixed. -- Highlights: ► We model graphene based velocity-barrier